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delete mode 100644 Master/texmf-dist/tex/latex/xymtex/hetarom.sty delete mode 100644 Master/texmf-dist/tex/latex/xymtex/hetaromh.sty delete mode 100644 Master/texmf-dist/tex/latex/xymtex/locant.sty delete mode 100644 Master/texmf-dist/tex/latex/xymtex/lowcycle.sty delete mode 100644 Master/texmf-dist/tex/latex/xymtex/methylen.sty delete mode 100644 Master/texmf-dist/tex/latex/xymtex/polymers.sty delete mode 100644 Master/texmf-dist/tex/latex/xymtex/xymtex.sty delete mode 100644 Master/texmf-dist/tpm/xymtex.tpm (limited to 'Master/texmf-dist') diff --git a/Master/texmf-dist/doc/latex/xymtex/readme2.doc b/Master/texmf-dist/doc/latex/xymtex/readme2.doc deleted file mode 100644 index 90355a56c29..00000000000 --- a/Master/texmf-dist/doc/latex/xymtex/readme2.doc +++ /dev/null @@ -1,22 +0,0 @@ -readme2.doc -Notes for XyMTeX -Copyright (C) 1993, 1996, 1998 by Shinsaku Fujita, All rights reserved. -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -(old) readme1.doc -Notes for XyMTeX -Copyright (C) 1993, 1996 by Shinsaku Fujita, All rights reserved. -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% - -Name: XyMTeX -Description: Macro Package including LaTeX document-style options for - typesetting chemical structural formulas -Keywords: LaTeX, chemistry, structural formula -Author: Shinsaku Fujita -Supported: http://www.chem.kit.ac.jp/fujita/fujitas/fujita.html -Latest Version: 2.00 -Archives: http://www.chem.kit.ac.jp/fujita/fujitas/fujita.html -Note: Documentation in xymtx200.tex (xymtx200.dvi) - -For Installment, see xymtex2.doc (xymtex2.jpn) - - \ No newline at end of file diff --git a/Master/texmf-dist/doc/latex/xymtex/readme2.jpn b/Master/texmf-dist/doc/latex/xymtex/readme2.jpn deleted file mode 100644 index 4144fe7a1b4..00000000000 --- a/Master/texmf-dist/doc/latex/xymtex/readme2.jpn +++ /dev/null @@ -1,66 +0,0 @@ -readme2.jpn -Notes for XyMTeX (in Japanese) -Copyright (C) 1993, 1996, 1998 by Shinsaku Fujita. All rights reserved. -=========================================================================== -(旧)readme1.jpn -Notes for XyMTeX (in Japanese) -Copyright (C) 1993, 1996 by Shinsaku Fujita. All rights reserved. -=========================================================================== -名 称: XyMTeX -登録名: xymtex2.lzh for drawing chem. structures -概 要: 化学構造式を描くためのマクロパッケージ -　　　 (LaTeX用のオプションファイル類を含む) -鍵 語: LaTeX, 化学, 構造式 -作 者: Shinsaku Fujita (藤田 眞作) -登録者: 藤田 眞作 -最新版: 2.00 -本 籍: http://www.chem.kit.ac.jp/fujita/fujitas/fujita.html -覚 書: ドキュメントは、xymtx200.tex (xymtx200.dvi) -=========================================================================== -Name: XyMTeX -Description: Macro Package including LaTeX document-style options for - typesetting chemical structural formulas -Keywords: LaTeX, chemistry, structural formula -Author: Shinsaku Fujita -Supported: http://www.chem.kit.ac.jp/fujita/fujitas/fujita.html -Latest Version: 2.00 -Archives: http://www.chem.kit.ac.jp/fujita/fujitas/fujita.html -Note: Documentation in xymtx200.tex (xymtx200.dvi) -=========================================================================== - -＜説明＞ -　XyMTeXは、化学構造式を描くためののマクロパッケージです。 これは、 -LaTeX2e用のパッケージファイル群から成り立っています。各ファイルには -化学構造式を描くためのコマンドのマクロコードが含まれています。各コマンドは、 -広範囲の化合物の構造が描けるように、新しい構想のもとに作成したものです。 -LaTeXのpicture環境を前提にして、その範囲内 (図形組版)で構造式が描けるように -なっています。したがって、構造式出力のプリンターは (プリンタードライバーさえ -あれば) 種類を選ばず、たとえば写植機でも出力が可能です。 - -　約100ページのマニュアル (xymtx200.dvi) が付属しています。この中に、Version -2.00で追加した機能とコマンドの書式 (仕様) と描画例を多数記載しましたので、 -解凍後、まずどのようなことができるのかをご覧ください。 - -　chemist.styやmathchem.sty (下記拙著に付録として付いているフロッピーディスク -に収録)に含まれるコマンドを併用すれば、さらにいろいろな反応スキームなどを -描くことができるようになります。XyMTeX(version1.01)から、chemist.styも同梱 -してあります。 - -　　「化学者・生化学者のためのLaTeX---パソコンによる論文作成の手引」 -　　　藤田 眞作 著、東京化学同人 (1993) FD付 - -基本的な使用法は、XyMTeX verion 2.00でも以前のバージョンでも同じです。 -このため、付属のマニュアル (xymtx200.dvi)では、基本的な使用法を記載 -してありません。これらは、次のレファレンスマニュアルを参照してください。 - - 「XyMTeX--Typesetting Chemical Structural Formulas」 - 藤田眞作著、アジソン・ウェスレイ・ジャパン (1997) CD-DOM付 - -＜ダウンロード・解凍＞ -(1) ファイル名xymtex2.lzhでダウンロードしてください -(2) TeXのメインディレクトリー内でlhaで解凍してください。 -　　　a:\tex>lha x b:\xymtex2 - -詳しいインストールの方法は、xymtex2.docをご覧下さい。 - - \ No newline at end of file diff --git a/Master/texmf-dist/doc/latex/xymtex/xymadd.tex b/Master/texmf-dist/doc/latex/xymtex/xymadd.tex deleted file mode 100644 index 10cfa37c649..00000000000 --- a/Master/texmf-dist/doc/latex/xymtex/xymadd.tex +++ /dev/null @@ -1,2792 +0,0 @@ -%xymadd.tex -%Copyright (C) 1998, Shinsaku Fujita, All rights reserved. -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -%This file is a part of xymtx200.tex that is the manual of the macro -%package `XyMTeX' (Version 2.00) for drawing chemical structural formulas. -%This file is not permitted to be translated into Japanese and any other -%languages. -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\chapter{Added Commands} - -\section{Six-six Fused Carbocycles} -\subsection{Vertical-Bottom Forms of Decaline Derivatives} - -The macro \verb/\decalinevb/ is used to draw -decaline derivatives of vertical-bottom -type (added to \textsf{carom.sty}), -where the numbering of atoms is given from the bottom -to the left-upper part. -The word ``vertical'' means that each benzene ring is a vertical type. -The word ``bottom'' means that the benzene ring with young -locant numbers is located at the bottom. -The format of this command is as follows: -\begin{verbatim} - \decalinevb[BONDLIST]{SUBSLIST} -\end{verbatim} -% -% *************************** -% * decaline derivatives * -% * (vertical bottom type) * -% *************************** -% The following numbering is adopted in this macro. -% -% 7 -% * -% 6 * * 8 -% | | -% | | 0G (4a) -% 5 * * * -% 0F(4a) * * 1 -% | | -% | | -% 4 * * 2 -% * -% 3 -% ^ -% | -% the original point -% - -Locant numbers for designating substitution positions -and characters for showing bonds to be doubled -are represented by the following diagram: -{\origpttrue -\begin{center} -\begin{picture}(1000,1200)(0,0) -\put(0,0){\decalinevb{% -1Sb==1Sb(r);1Sa==1Sa(r);2Sb==2Sb(r);2Sa==2Sa(r);% -3Sb==3Sb(l);3Sa==3Sa(r);4Sb==4Sb(l);4Sa==4Sa(l);% -5Sb==5Sb(l);5Sa==5Sa(l);6Sb==6Sb(l);6Sa==6Sa(l);% -7Sb==7Sb(l);7Sa==7Sa(r);8Sb==8Sb(r);8Sa==8Sb(r);% -0F==0F;0G==0G}} -{\footnotesize -\put(171,0){\bdloocant{j}{a}{b}{c}{d}{k}} -\put(0,303){\bdloocant{h}{i}{}{e}{f}{g}}} -\end{picture} -\qquad\qquad\fbox{\parbox{2cm}{$\circ$: (550,\the\shifti) \\ - $\bullet$: (\the\noshift,\the\noshift)}} -\end{center} -} -The handedness for each oriented or double-sided position -is shown with a character set in parentheses. -The option argument BONDLIST is based on the -assignment of characters (a--k) to respective bonds -as shown in the above diagram. -A bond modifier in the argument SUBSLIST for $n=1\mbox{--}8$ can be -one of bond modifiers shown in Table \ref{tt:200a}. -The substitution at the bridgehead positions is -designated as shown in Table 4.3 of \XyMTeX book. - -\medskip -\noindent -Example: -\begin{verbatim} -\decalinevb{1D==O;0FB==H;0GA==H} \qquad -\decalinevb{1B==CH$_{2}$OSiR$_{3}$;3D==O;4A==CH$_{3}$OCO;% -0FB==CH$_{3}$;0GA==H} -\end{verbatim} -These commands produce: -\begin{center} -\decalinevb{1D==O;0FB==H;0GA==H} \qquad -\decalinevb{1B==CH$_{2}$OSiR$_{3}$;3D==O;4A==CH$_{3}$OCO;% -0FB==CH$_{3}$;0GA==H} -\end{center} - -The related commands, \verb/\naphdrvb/ and \verb/\tetralinevb/, -have been defined on the basis of the command \verb/\decalinevb/. - -\subsection{Vertical-Top Forms of Decaline Derivatives} - -The macro \verb/\decalinevt/ (added to \textsf{carom.sty}) -is used for drawing decaline derivatives -of vertical-bottom type (numbering from the top to the left-down part). -The word ``vertical'' means that each benzene ring is a vertical type. -The word ``top'' means that the benzene ring with young locant -numbers is located at the top. -% ************************ -% * decaline derivatives * -% * (vertical-top type) * -% ************************ -% The following numbering is adopted in this macro. -% -% 2 -% * -% 1 * * 3 -% | | -% | | -% 0G (8a) * * 4 -% 8 * * 0F(4a) -% | | -% | | -% 7 * * 5 -% * -% 6 -% ^ -% | -% the original point -% -The format of this command is as follows: -\begin{verbatim} - \decalinevt[BONDLIST]{SUBSLIST} -\end{verbatim} - -Locant numbers for designating substitution positions -and characters for showing bonds to be doubled -are represented by the following diagram: -{\origpttrue -\begin{center} -\begin{picture}(1000,1200)(0,0) -\put(0,0){\decalinevt{% -1Sb==1Sb(l);1Sa==1Sa(l);2Sb==2Sb(l);2Sa==2Sa(r);% -3Sb==3Sb(r);3Sa==3Sa(r);4Sb==4Sb(r);4Sa==4Sa(r);% -5Sb==5Sb(r);5Sa==5Sa(r);6Sb==6Sb(l);6Sa==6Sa(r);% -7Sb==7Sb(l);7Sa==7Sa(l);8Sb==8Sb(l);8Sa==8Sb(l);% -0F==0F;0G==0G}} -{\footnotesize -\put(171,303){\bdloocant{b}{c}{d}{k}{j}{a}} -\put(0,0){\bdloocant{}{e}{f}{g}{h}{i}}} -\end{picture} -\qquad\qquad\fbox{\parbox{2cm}{$\circ$: (400,\the\shifti) \\ - $\bullet$: (\the\noshift,\the\noshift)}} -\end{center} -} - -The handedness for each oriented or double-sided position -is shown with a character set in parentheses. -The option argument BONDLIST is based on the -assignment of characters (a--k) to respective bonds -as shown in the above diagram. -A bond modifier in the argument SUBSLIST for $n=1\mbox{--}8$ can be -one of bond modifiers shown in Table \ref{tt:200a}. -The substitution at the bridgehead positions is -designated as shown in Table 4.3 of \XyMTeX book. - -\medskip -\noindent -Example: -\begin{verbatim} -\decalinevt{1D==O;0FB==H;0GA==H} \qquad -\decalinevt{1B==R$_{3}$SiOCH$_{2}$;3D==O;4A==COOHCH$_{3}$;% -0FB==CH$_{3}$;0GA==H} -\end{verbatim} -These commands produce: -\begin{center} -\decalinevt{1D==O;0FB==H;0GA==H} \qquad -\decalinevt{1B==R$_{3}$SiOCH$_{2}$;3D==O;4A==COOHCH$_{3}$;% -0FB==CH$_{3}$;0GA==H} -\end{center} - -The related commands, \verb/\naphdrvt/ and \verb/\tetralinevt/, -have been defined on the basis of the command \verb/\decalinevt/. - - -\section{Six-six Fused Heterocycles} -\subsection{Vertical-Bottom Forms} - -The macro \verb/\decaheterovb/ is generally used to draw -six-six-fused heterocycles of vertical-bottom type (\textsf{hetarom.sty}). -\begin{verbatim} - \decaheterovb[BONDLIST]{ATOMLIST}{SUBSLIST} -\end{verbatim} -% *************************** -% * decahetro derivatives * -% * (vertical bottom type) * -% *************************** -% The following numbering is adopted in this macro. -% -% 7 -% * -% 6 * * 8 -% | | -% | | 0G (4a) -% 5 * * * -% 0F(4a) * * 1 -% | | -% | | -% 4 * * 2 -% * -% 3 -% ^ -% | -% the original point - - -Locant numbers for designating substitution positions -as well as characters for setting double bonds -are shown in the following diagram: -{ -\begin{xymspec} -\begin{picture}(1000,1200)(0,0) -\put(0,0){\decaheterovb[]{1==1;2==2;3==3;4==4;5==5;% -6==6;7==7;8==8;9==9;{{10}}==10}{% -1Sb==1Sb(r);1Sa==1Sa(r);2Sb==2Sb(r);2Sa==2Sa(r);% -3Sb==3Sb(l);3Sa==3Sa(r);4Sb==4Sb(l);4Sa==4Sa(l);% -5Sb==5Sb(l);5Sa==5Sa(l);6Sb==6Sb(l);6Sa==6Sa(l);% -7Sb==7Sb(l);7Sa==7Sa(r);8Sb==8Sb(r);8Sa==8Sa(r);% -9==9;{{10}}==10}} -{\footnotesize -\put(171,0){\bdloocant{j}{a}{b}{c}{d}{k}} -\put(0,303){\bdloocant{h}{i}{}{e}{f}{g}}} -%\put(0,0){\bdloocant{i}{k}{e}{f}{g}{h}} -%\put(342,0){\bdloocant{a}{b}{c}{d}{}{j}}} -\end{picture} -\qquad\fbox{\parbox{2cm}{$\circ$: (550,\the\shifti) \\ - $\bullet$: (\the\noshift,\the\noshift)}} -\end{xymspec} -} -The handedness for each oriented or double-sided position -is shown with a character set in parentheses. -The optional argument BONDLIST is used to specify a bond pattern. - -The argument ATOMLIST has a similar format concerning the positions of -$n$ = 1 to 8. A hetero-atom on the 4a-position is -designated to be 4a==N or 9==N; -and a hetero-atom on the 8a-position is given as to be -8a==N or \{\{10\}\}==N. - -The argument SUBSLIST for this macro takes a general format, -in which the modifiers listed in Table \ref{tt:200a} are used. -Note that 9 and 10 should be used for designating -4a and 8a positions. - -\medskip -\noindent -Example: -\begin{verbatim} -\decaheterovb[]{7==O}{6D==O;9A==H;{{10}A}==CH=CH$_{2}$} -\decaheterovb[]{5==O}{9==HO;{{10}}==OH} -\decaheterovb[ch]{1==O}{9A==HOCH$_{2}$;{{10}A}==H;% -4==CH$_{3}$;7==CH$_{3}$} -\end{verbatim} -produce the following structures: -\begin{center} -\decaheterovb[]{7==O}{6D==O;9A==H;{{10}A}==CH=CH$_{2}$} -\decaheterovb[]{5==O}{9==HO;{{10}}==OH} -\decaheterovb[ch]{1==O}{9A==HOCH$_{2}$;{{10}A}==H;% -4==CH$_{3}$;7==CH$_{3}$} -\end{center} - -Macros for drawing related fused heterocycles are also defined. -The formats of these commands are as follows: -\begin{verbatim} - \quinolinevb[BONDLIST]{SUBSLIST} - \isoquinolinevb[BONDLIST]{SUBSLIST} - \quinoxalinevb[BONDLIST]{SUBSLIST} - \quinazolinevb[BONDLIST]{SUBSLIST} - \cinnolinevb[BONDLIST]{SUBSLIST} - \pteridinevb[BONDLIST]{SUBSLIST} -\end{verbatim} - -\subsection{Vertical-Top Forms} -The macro \verb/\decaheterovt/ is generally used to draw -six-six-fused heterocycles of vertical-top type (\textsf{hetarom.sty}). -\begin{verbatim} - \decaheterovt[BONDLIST]{ATOMLIST}{SUBSLIST} -\end{verbatim} -% **************************** -% * decaheterovt derivatives * -% * (vertical-top type) * -% **************************** -% The following numbering is adopted in this macro. -% -% 2 -% * -% 1 * * 3 -% | | -% | | -% 0G (8a) * * 4 -% 8 * * 0F(4a) -% | | -% | | -% 7 * * 5 -% * -% 6 -% ^ -% | -% the original point -% \end{verbatim} - -Locant numbers for designating substitution positions -as well as characters for setting double bonds -are shown in the following diagram: -{ -\begin{xymspec} -\begin{picture}(1000,1200)(0,0) -\put(0,0){\decaheterovt[]{1==1;2==2;3==3;4==4;5==5;% -6==6;7==7;8==8;9==9;{{10}}==10}{% -1Sb==1Sb(l);1Sa==1Sa(l);2Sb==2Sb(l);2Sa==2Sa(r);% -3Sb==3Sb(r);3Sa==3Sa(r);4Sb==4Sb(r);4Sa==4Sa(r);% -5Sb==5Sb(r);5Sa==5Sa(r);6Sb==6Sb(l);6Sa==6Sa(r);% -7Sb==7Sb(l);7Sa==7Sa(l);8Sb==8Sb(l);8Sa==8Sa(l);% -9==9;{{10}}==10}} -{\footnotesize -\put(171,303){\bdloocant{b}{c}{d}{k}{j}{a}} -\put(0,0){\bdloocant{}{e}{f}{g}{h}{i}}} -%\put(171,0){\bdloocant{j}{a}{b}{c}{d}{k}} -%\put(0,303){\bdloocant{h}{i}{}{e}{f}{g}}} -\end{picture} -\qquad\fbox{\parbox{2cm}{$\circ$: (400,\the\shifti) \\ - $\bullet$: (\the\noshift,\the\noshift)}} -\end{xymspec} -} -The handedness for each oriented or double-sided position -is shown with a character set in parentheses. -The optional argument BONDLIST is used to specify a bond pattern. - -The argument ATOMLIST has a similar format concerning the positions of -$n$ = 1 to 8. A hetero-atom on the 4a-position is -designated to be 4a==N or 9==N; -and a hetero-atom on the 8a-position is given as to be -8a==N or \{\{10\}\}==N. - -The argument SUBSLIST for this macro takes a general format, -in which the modifiers listed in Table \ref{tt:200a} are used. -Note that 9 and 10 should be used for designating -4a and 8a positions. - -\medskip -\noindent -Example: -\begin{verbatim} -\decaheterovt[]{7==O}{6D==O;9A==H;{{10}A}==CH$_{2}$=CH} -\decaheterovt[]{5==O}{9==OH;{{10}}==HO} -\decaheterovt[ch]{1==O}{9A==CH$_{2}$OH;{{10}A}==H;% -4==CH$_{3}$;7==CH$_{3}$} -\end{verbatim} -produce the following structures: -\begin{center} -\vspace*{1cm} -\decaheterovt[]{7==O}{6D==O;9A==H;{{10}A}==CH$_{2}$=CH} -\decaheterovt[]{5==O}{9==OH;{{10}}==HO} -\decaheterovt[ch]{1==O}{9A==CH$_{2}$OH;{{10}A}==H;% -4==CH$_{3}$;7==CH$_{3}$} -\end{center} - -Macros for drawing related fused heterocycles are also defined. -The formats of these commands are as follows: -\begin{verbatim} - \quinolinevt[BONDLIST]{SUBSLIST} - \isoquinolinevt[BONDLIST]{SUBSLIST} - \quinoxalinevt[BONDLIST]{SUBSLIST} - \quinazolinevt[BONDLIST]{SUBSLIST} - \cinnolinevt[BONDLIST]{SUBSLIST} - \pteridinevt[BONDLIST]{SUBSLIST} -\end{verbatim} - -\section{Three-Membered Carbocycles} - -The macro \verb/\cyclopropanev/ (the same command -as \verb/\cyclopropane/) -for drawing three-membered carbocycles -has the following format (\textsf{lowcycle.sty}) -\begin{verbatim} - \cyclopropanev[BONDLIST]{SUBSLIST} -\end{verbatim} -% **************************** -% * cyclopropane derivatives * -% * (vertical type) * -% **************************** -% The following numbering is adopted in this macro. -% -% b -% 3--------2 -% c ` / a -% `1/ <===== the original point -% -% -% -The locant numbering (1--3) -and the bond description (a--c) are common as -shown in the following diagram: -\begin{xymspec} -\begin{picture}(1000,600)(0,0) -\put(0,0){\cyclopropanev[]{% -1Sb==1Sb(l);1Sa==1Sa(r);2Sb==2Sb(r);2Sa==2Sa(r);% -3Sb==3Sb(l);3Sa==3Sa(l)}} -\put(0,0){\circle{80}} -\put(400,240){\circle{80}} -\put(500,250){a} -\put(300,250){c} -\put(380,460){b} -\end{picture} -\qquad\fbox{\parbox{2cm}{$\circ$: (\the\shiftii,\the\shifti) \\ - $\bullet$: (\the\noshift,\the\noshift)}} -\end{xymspec} - -For the arguments, BONDLIST and SUBSLIST, see \XyMTeX book. - -\medskip -\noindent -Example: -\begin{verbatim} - \cyclopropanev{2Sa==COOCH$_{3}$;2Sb==COOCH$_{3}$}\qquad - \cyclopropanev{2Sa==COOH;2Sb==COOH}\qquad\qquad - \cyclopropanev{3Sa==H$_{3}$C;3Sb==H$_{3}$C} -\end{verbatim} -produce the following structures: -\begin{center} - \cyclopropanev{2Sa==COOCH$_{3}$;2Sb==COOCH$_{3}$}\qquad - \cyclopropanev{2Sa==COOH;2Sb==COOH}\qquad\qquad - \cyclopropanev{3Sa==H$_{3}$C;3Sb==H$_{3}$C} -\end{center} - -The macro \verb/\cyclopropanevi/ -(the same command as \verb/\cyclopropanei/) -for drawing three-membered carbocycles of inverse type -has the following format (\textsf{lowcycle.sty}) -\begin{verbatim} - \cyclopropanevi[BONDLIST]{SUBSLIST} -\end{verbatim} -% **************************** -% * cyclopropane derivatives * -% * (inverse vertical type) * -% **************************** -% The following numbering is adopted in this macro. -% -% /1` <===== the original point -% c / ` a -% 3--------2 -% b -% -% \cyclopropanei[BONDLIST]{SUBSLIST} -% \cyclopropanevi[BONDLIST]{SUBSLIST} - -The following diagram shows -The locant numbering (1--3) -and the bond description (a--c): -\begin{xymspec} -\begin{picture}(1000,600)(0,0) -\put(0,0){\cyclopropanevi[]{% -1Sb==1Sb(l);1Sa==1Sa(r);2Sb==2Sb(r);2Sa==2Sa(r);% -3Sb==3Sb(l);3Sa==3Sa(l)}} -\put(0,0){\circle{80}} -\put(400,340){\circle{80}} -\put(500,250){a} -\put(250,250){c} -\put(380,50){b} -\end{picture} -\qquad\fbox{\parbox{2cm}{$\circ$: (\the\shiftii,340) \\ - $\bullet$: (\the\noshift,\the\noshift)}} -\end{xymspec} - -For the arguments, BONDLIST and SUBSLIST, see the counterparts -of \verb/\cyclopropane/ described in \XyMTeX book. - -\medskip -\noindent -Example: -\begin{verbatim} - \cyclopropanevi{2Sa==COOCH$_{3}$;2Sb==COOCH$_{3}$}\qquad - \cyclopropanevi{2Sa==COOH;2Sb==COOH}\qquad\qquad - \cyclopropanevi{3Sa==H$_{3}$C;3Sb==H$_{3}$C} -\end{verbatim} -produce the following structures: -\begin{center} - \cyclopropanevi{2Sa==COOCH$_{3}$;2Sb==COOCH$_{3}$}\qquad - \cyclopropanevi{2Sa==COOH;2Sb==COOH}\qquad\qquad - \cyclopropanevi{3Sa==H$_{3}$C;3Sb==H$_{3}$C} -\end{center} - -The macro \verb/\cyclopropaneh/ -for drawing three-membered carbocycles of horizontal type -has the following format (\textsf{lowcycle.sty}) -\begin{verbatim} - \cyclopropaneh[BONDLIST]{SUBSLIST} -\end{verbatim} -% **************************** -% * cyclopropane derivatives * -% * (horizontal type) * -% **************************** -% -% aaa fff -% 3 -% | ` c -% b | 1 bbb ccc -% | / a -% 2/ -% ddd eee -% - -The locant numbering (1--3) -and the bond description (a--c) are common as -shown in the following diagram: -\begin{xymspec} -\begin{picture}(600,1000)(0,0) -\put(0,0){\cyclopropaneh[]{% -1Sb==1Sb(r);1Sa==1Sa(r);2Sb==2Sb(l);2Sa==2Sa(r);% -3Sb==3Sb(l);3Sa==3Sa(r)}} -\put(0,0){\circle{80}} -\put(200,240){\circle{80}} -\put(300,150){a} -\put(100,320){b} -\put(300,450){c} -\end{picture} -\qquad\fbox{\parbox{2cm}{$\circ$: (200,240) \\ - $\bullet$: (\the\noshift,\the\noshift)}} -\end{xymspec} - -For the arguments, BONDLIST and SUBSLIST, see \XyMTeX book. - -\medskip -\noindent -Example: -\begin{verbatim} - \cyclopropaneh{2Sa==COOCH$_{3}$;2Sb==CH$_{3}$OCO}\qquad - \cyclopropaneh{2Sa==COOH;2Sb==HOCO}\qquad\qquad - \cyclopropaneh{3Sa==CH$_{3}$;3Sb==CH$_{3}$} -\end{verbatim} -produce the following structures: -\begin{center} - \cyclopropaneh{2Sa==COOCH$_{3}$;2Sb==CH$_{3}$OCO}\qquad - \cyclopropaneh{2Sa==COOH;2Sb==HOCO}\qquad\qquad - \cyclopropaneh{3Sa==CH$_{3}$;3Sb==CH$_{3}$} -\end{center} - -The macro \verb/\cyclopropanehi/ -for drawing three-membered carbocycles of inverse horizontal type -has the following format (\textsf{lowcycle.sty}) -\begin{verbatim} - \cyclopropanehi[BONDLIST]{SUBSLIST} -\end{verbatim} -% **************************** -% * cyclopropane derivatives * -% * (inverse horizontal type)* -% **************************** -% -% aaa bbb -% c 3 -% / | -% eee 1 | b -% fff a` | -% 2 <---original point -% ccc ddd - -The locant numbering (1--3) -and the bond description (a--c) are common as -shown in the following diagram: -\begin{xymspec} -\begin{picture}(600,1000)(0,0) -\put(0,0){\cyclopropanehi[]{% -1Sb==1Sb(l);1Sa==1Sa(l);2Sb==2Sb(r);2Sa==2Sa(r);% -3Sb==3Sb(r);3Sa==3Sa(r)}} -\put(0,0){\circle{80}} -\put(400,240){\circle{80}} -\put(300,150){a} -\put(450,320){b} -\put(300,450){c} -\end{picture} -\qquad\fbox{\parbox{2cm}{$\circ$: (400,240) \\ - $\bullet$: (\the\noshift,\the\noshift)}} -\end{xymspec} - -For the arguments, BONDLIST and SUBSLIST, see \XyMTeX book. - -\medskip -\noindent -Example: -\begin{verbatim} - \cyclopropanehi{2Sa==COOCH$_{3}$;2Sb==COOCH$_{3}$}\qquad - \cyclopropanehi{2Sa==COOH;2Sb==COOH}\qquad\qquad - \cyclopropanehi{3Sa==CH$_{3}$;3Sb==CH$_{3}$} -\end{verbatim} -produce the following structures: -\begin{center} - \cyclopropanehi{2Sa==COOCH$_{3}$;2Sb==COOCH$_{3}$}\qquad - \cyclopropanehi{2Sa==COOH;2Sb==COOH}\qquad\qquad - \cyclopropanehi{3Sa==CH$_{3}$;3Sb==CH$_{3}$} -\end{center} - -\section{Three-Membered Heterocycles} - -The macro \verb/\threeheterov/ -(the same command as \verb/\threehetero/) -for drawing three-membered heterocycles -has the following format (\textsf{hetarom.sty}) -\begin{verbatim} - \threeheterov[BONDLIST]{ATOMLIST}{SUBSLIST} -\end{verbatim} -% **************************** -% * threeheterov derivatives * -% * (vertical type) * -% **************************** -% The following numbering is adopted in this macro. -% -% b -% 3--------2 -% c ` / a -% `1/ <===== the original point -% -% -% -The locant numbering (1--3) -and the bond description (a--c) are common as -shown in the following diagram: -\begin{xymspec} -\begin{picture}(1000,600)(0,0) -\put(0,0){\threeheterov[]{1==1;2==2;3==3}{% -1Sb==1Sb(l);1Sa==1Sa(r);2Sb==2Sb(r);2Sa==2Sa(r);% -3Sb==3Sb(l);3Sa==3Sa(l)}} -\put(0,0){\circle{80}} -\put(400,240){\circle{80}} -\put(500,250){a} -\put(300,250){c} -\put(380,460){b} -\end{picture} -\qquad\fbox{\parbox{2cm}{$\circ$: (\the\shiftii,\the\shifti) \\ - $\bullet$: (\the\noshift,\the\noshift)}} -\end{xymspec} - -For the arguments, BONDLIST and SUBSLIST, see \XyMTeX book. - -\medskip -\noindent -Example: -\begin{verbatim} - \threeheterov{1==O}{2Sa==COOCH$_{3}$;2Sb==COOCH$_{3}$}\qquad - \threeheterov{1==O}{2Sa==COOH;2Sb==COOH}\qquad\qquad - \threeheterov{2==O}{3Sa==H$_{3}$C;3Sb==H$_{3}$C} -\end{verbatim} -produce the following structures: -\begin{center} - \threeheterov{1==O}{2Sa==COOCH$_{3}$;2Sb==COOCH$_{3}$}\qquad - \threeheterov{1==O}{2Sa==COOH;2Sb==COOH}\qquad\qquad - \threeheterov{2==O}{3Sa==H$_{3}$C;3Sb==H$_{3}$C} -\end{center} - -The macro \verb/\threeheterovi/ -(the same command as \verb/\threeheteroi/) -for drawing three-membered heterocycles of inverse type -has the following format (\textsf{hetarom.sty}) -\begin{verbatim} - \threeheterovi[BONDLIST]{ATOMLIST}{SUBSLIST} -\end{verbatim} -% **************************** -% * threehetero derivatives * -% * (inverse vertical type) * -% **************************** -% The following numbering is adopted in this macro. -% -% /1` <===== the original point -% c / ` a -% 3--------2 -% b -% -% \threeheteroi[BONDLIST]{ATOMLIST}{SUBSLIST} -% \threeheterovi[BONDLIST]{ATOMLIST}{SUBSLIST} - -The following diagram shows -The locant numbering (1--3) -and the bond description (a--c): -\begin{xymspec} -\begin{picture}(1000,600)(0,0) -\put(0,0){\threeheterovi[]{1==1;2==2;3==3}{% -1Sb==1Sb(l);1Sa==1Sa(r);2Sb==2Sb(r);2Sa==2Sa(r);% -3Sb==3Sb(l);3Sa==3Sa(l)}} -\put(0,0){\circle{80}} -\put(400,340){\circle{80}} -\put(500,250){a} -\put(250,250){c} -\put(380,50){b} -\end{picture} -\qquad\fbox{\parbox{2cm}{$\circ$: (\the\shiftii,340) \\ - $\bullet$: (\the\noshift,\the\noshift)}} -\end{xymspec} - -For the arguments, BONDLIST and SUBSLIST, see the counterparts -of \verb/\threehetero/ described in \XyMTeX book. - -\medskip -\noindent -Example: -\begin{verbatim} - \threeheterovi{1==O}{2Sa==COOCH$_{3}$;2Sb==COOCH$_{3}$}\qquad - \threeheterovi{1==O}{2Sa==COOH;2Sb==COOH}\qquad\qquad - \threeheterovi{1==O}{3Sa==H$_{3}$C;3Sb==H$_{3}$C} -\end{verbatim} -produce the following structures: -\begin{center} - \threeheterovi{1==O}{2Sa==COOCH$_{3}$;2Sb==COOCH$_{3}$}\qquad - \threeheterovi{1==O}{2Sa==COOH;2Sb==COOH}\qquad\qquad - \threeheterovi{1==O}{3Sa==H$_{3}$C;3Sb==H$_{3}$C} -\end{center} - -The macro \verb/\threeheteroh/ -for drawing three-membered heterocycles of horizontal type -has the following format (\textsf{hetaromh.sty}) -\begin{verbatim} - \threeheteroh[BONDLIST]{ATOMLIST}{SUBSLIST} -\end{verbatim} -% **************************** -% * threehetero derivatives * -% * (horizontal type) * -% **************************** -% -% aaa fff -% 3 -% | ` c -% b | 1 bbb ccc -% | / a -% 2/ -% ddd eee -% - -The locant numbering (1--3) -and the bond description (a--c) are common as -shown in the following diagram: -\begin{xymspec} -\begin{picture}(600,1000)(0,0) -\put(0,0){\threeheteroh[]{1==1;2==2;3==3}{% -1Sb==1Sb(r);1Sa==1Sa(r);2Sb==2Sb(l);2Sa==2Sa(r);% -3Sb==3Sb(l);3Sa==3Sa(r)}} -\put(0,0){\circle{80}} -\put(200,240){\circle{80}} -\put(300,150){a} -\put(100,320){b} -\put(300,450){c} -\end{picture} -\qquad\fbox{\parbox{2cm}{$\circ$: (200,240) \\ - $\bullet$: (\the\noshift,\the\noshift)}} -\end{xymspec} - -For the arguments, BONDLIST and SUBSLIST, see \XyMTeX book. - -\medskip -\noindent -Example: -\begin{verbatim} - \threeheteroh{1==O}{2Sa==COOCH$_{3}$;2Sb==CH$_{3}$OCO}\qquad - \threeheteroh{1==O}{2Sa==COOH;2Sb==HOCO}\qquad\qquad - \threeheteroh{1==O}{3Sa==CH$_{3}$;3Sb==CH$_{3}$} -\end{verbatim} -produce the following structures: -\begin{center} - \threeheteroh{1==O}{2Sa==COOCH$_{3}$;2Sb==CH$_{3}$OCO}\qquad - \threeheteroh{1==O}{2Sa==COOH;2Sb==HOCO}\qquad\qquad - \threeheteroh{1==O}{3Sa==CH$_{3}$;3Sb==CH$_{3}$} -\end{center} - -The macro \verb/\threeheterohi/ -for drawing three-membered heterocycles of inverse horizontal type -has the following format (\textsf{hetatomh.sty}) -\begin{verbatim} - \threeheterohi[BONDLIST]{ATOMLIST}{SUBSLIST} -\end{verbatim} -% **************************** -% * threehetero derivatives * -% * (inverse horizontal type)* -% **************************** -% -% aaa bbb -% c 3 -% / | -% eee 1 | b -% fff a` | -% 2 <---original point -% ccc ddd - -The locant numbering (1--3) -and the bond description (a--c) are common as -shown in the following diagram: -\begin{xymspec} -\begin{picture}(600,1000)(0,0) -\put(0,0){\threeheterohi[]{1==1;2==2;3==3}{% -1Sb==1Sb(l);1Sa==1Sa(l);2Sb==2Sb(r);2Sa==2Sa(r);% -3Sb==3Sb(r);3Sa==3Sa(r)}} -\put(0,0){\circle{80}} -\put(400,240){\circle{80}} -\put(300,150){a} -\put(450,320){b} -\put(300,450){c} -\end{picture} -\qquad\fbox{\parbox{2cm}{$\circ$: (400,240) \\ - $\bullet$: (\the\noshift,\the\noshift)}} -\end{xymspec} - -For the arguments, BONDLIST and SUBSLIST, see \XyMTeX book. - -\medskip -\noindent -Example: -\begin{verbatim} - \threeheterohi{1==O}{2Sa==COOCH$_{3}$;2Sb==COOCH$_{3}$}\qquad - \threeheterohi{1==O}{2Sa==COOH;2Sb==COOH}\qquad\qquad - \threeheterohi{1==O}{3Sa==CH$_{3}$;3Sb==CH$_{3}$} -\end{verbatim} -produce the following structures: -\begin{center} - \threeheterohi{1==O}{2Sa==COOCH$_{3}$;2Sb==COOCH$_{3}$}\qquad - \threeheterohi{1==O}{2Sa==COOH;2Sb==COOH}\qquad\qquad - \threeheterohi{1==O}{3Sa==CH$_{3}$;3Sb==CH$_{3}$} -\end{center} - -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\section{Aliphatic Moieties} -\subsection{Trigonal Units} - -In addition to the macros \verb/\rtrigonal/ and \verb/\ltrigonal/ -(see \XyMTeX book), macros for broader bond angles, -\verb/\Rtrigonal/ and \verb/\Ltrigonal/, are -added to the \textsf{aliphat} package (\textsf{aliphat.sty}). -The formats of these commands are as follows: -\begin{verbatim} - \Rtrigonal[AUXLIST]{SUBSLIST} - \Ltrigonal[AUXLIST]{SUBSLIST} -\end{verbatim} -% ************************* -% * trigonal unit (right) * -% ************************* -% -% 3 -% / -% / -% 1 --- 0 120 0 <== the original point -% ` -% ` -% 2 -% ************************ -% * trigonal unit (left) * -% ************************ -% -% 2 -% ` -% ` -% 120 0 --- 1 0 <== the original point -% / -% / -% 3 - -The bond angles of 2--0--3 are 120$^{\circ}$ in the trigonal units -printed with these commands. The arguments AUXLIST and SUBSLIST are -the same as those of \verb/\tetrahedral/. - -\medskip -\noindent -Example: -\begin{verbatim} -\Rtrigonal{0==C;1D==O;2==Cl;3==F}\qquad -\Ltrigonal{0==C;1D==O;2==Cl;3==F} -\end{verbatim} -produce the following structures: -\begin{center} -\Rtrigonal{0==C;1D==O;2==Cl;3==F}\qquad -\Ltrigonal{0==C;1D==O;2==Cl;3==F} -\end{center} - -\subsection{Ethylenes} - -The macro \verb/\Ethyleneh/ or \verb/\Ethylene/ is -a braoder-angled counterpart of -the macro \verb/\ethyleneh/ or \verb/\ethylene/ (see \XyMTeX book), -which is used to draw ethylene derivatives with angles 120$^{\circ}$ -(\textsf{aliphat.sty}). -The format of this command is as follows: -\begin{verbatim} - \Ethyleneh[BONDLIST]{ATOMLIST}{SUBSLIST} - \Ethylene[BONDLIST]{ATOMLIST}{SUBSLIST} -\end{verbatim} -% ***************** -% * ethylene unit * -% ***************** -% -% The following numbering is adopted in this macro. -% -% 1 4 -% ` / -% ` / -% 120 (1)===(2) 120 (1) <== the original point -% / ` -% / ` -% 2 3 -% -% -The following diagram shows the numbering -for designating substitution positions: -\begin{xymspec} -\begin{picture}(800,880)(0,0) -\put(0,0){\Ethyleneh{1==1;2==2}{1==1;2==2;3==3;4==4;0==0}} -\end{picture} -\qquad\fbox{\parbox{2cm}{$\circ$: (300,300) \\ - $\bullet$: (\the\noshift,\the\noshift)}} -\end{xymspec} -The argument BONSLIST is used for giving the C--C bond. -The argument ATOMLIST is used for giving central atoms. -The argument SUBSLIST is -the same as that of \verb/\tetrahedral/. - -\medskip -\noindent -Example: -\begin{verbatim} -\Ethyleneh{1==C;2==C}{1==F;2==Cl;3==H;4==Br}\qquad -\Ethyleneh{1==C;2==C}{1==CH$_{3}$;2==H;3==CH$_{2}$OH;4==H}\par -\Ethyleneh{1==C;2==N}{1==Ph;2==Ph;3==OH}\qquad -\Ethyleneh[t{2+}]{1==C;2==N}{1==CH$_{3}$;2==CH$_{3}$;3==H} -\end{verbatim} -produce the following structures: -\begin{center} -\Ethyleneh{1==C;2==C}{1==F;2==Cl;3==H;4==Br}\qquad -\Ethyleneh{1==C;2==C}{1==CH$_{3}$;2==H;3==CH$_{2}$OH;4==H}\par -\Ethyleneh{1==C;2==N}{1==Ph;2==Ph;3==OH}\qquad -\Ethyleneh[t{2+}]{1==C;2==N}{1==CH$_{3}$;2==CH$_{3}$;3==H} -\end{center} - -A butadiene derivative, -\begin{center} -\Ethyleneh{1==C;2==C}{1==F;2==Cl;4==Br;% -3==\Ethyleneh{1==C;2==C}{1==(yl);2==H;3==H;4==H}} -\vspace*{1cm} -\end{center} -can be drawn by the code, -\begin{verbatim} -\Ethyleneh{1==C;2==C}{1==F;2==Cl;4==Br;% -3==\Ethyleneh{1==C;2==C}{1==(yl);2==H;3==H;4==H}} -\end{verbatim} - - -\chapter{Zigzag Polymethylene Skeletons} - -\section{Dimethylenes} - -The macro \verb/\dimethylene/ has two arguments ATOMLIST and SUBSLIST -as well as an optional argument BONDLIST (\textsf{methylen.sty}): -% -% \begin{verbatim} -% -% bbb -% 2 -% a / (or uppercase letters) -% / -% 1 -% aaa -% \end{verbatim} -% -\begin{verbatim} - \dimethylene[BONDLIST]{ATOMLIST}{SUBSLIST} -\end{verbatim} -The BONDLIST argument contains one character a or A, -each of which indicates the presence of an inner (endo-chain) double -bond on the corresponding position. A lowercase letter is used -to typeset a double bond at a lower-side of an outer skeletal bond, -while an uppercase letter typesets a double bond at a upper-side of -an outer skeletal bond -(Note that the option `A' represents an aromatic circle in - commands \verb/\sixheterov/ etc. ). -The ATOMLIST and SUBSLIST arguments follow -the conventions of the \XyMTeX{} system. - -The following diagram shows the numbering -for designating substitution positions: -\begin{xymspec} -\begin{picture}(500,500)(0,0) -\put(0,0){\dimethylene{1==1;2==2}{1Sa==1Sa;1Sb==1Sb;2Sa==2Sa;2Sb==2Sb}} -\put(100,250){a} -\end{picture} -\qquad\fbox{\parbox{2cm}{$\circ$: (50,180) \\ - $\bullet$: (\the\noshift,\the\noshift)}} -\end{xymspec} - -Lowercase vs. uppercase letters (`a' vs. `A') in the BONDLIST of -the \verb/\dimethylene/ command designate the position of -an bond added to the bond `a', as shown in the code, -\begin{verbatim} -\dimethylene[a]{}{1W==\bzdrv{3==(yl)};1==Cl;2W==H;2==F} -\hskip2cm -\bzdrv{3==\dimethylene[A]{}{1W==(yl);1==Cl;2W==H;2==F}} -\end{verbatim} -which typesets the following formulas: -\begin{center} -\dimethylene[a]{}{1W==\bzdrv{3==(yl)};1==Cl;2W==H;2==F} -\hskip2cm -\bzdrv{3==\dimethylene[A]{}{1W==(yl);1==Cl;2W==H;2==F}} -\end{center} - -In addition to the standard bond modifiers -listed in Table \ref{tt:200a}, -the terminal positions of the \verb/\dimethylene/ command -can take a bond modifier `W'. -For example, the code, -\begin{verbatim} -\dimethylene{1==S;2==S}{1W==H;2W==H} -\hskip4cm -\dimethylene{1==S;2==S}{1W==\bzdrv{3==(yl)};2W==H} -\hskip1cm -\bzdrv{3==\dimethylene{1==S;2==S}{1W==(yl);2W==H}} -\end{verbatim} -generates the following formulas: -\begin{center} -\dimethylene{1==S;2==S}{1W==H;2W==H} -\hskip4cm -\dimethylene{1==S;2==S}{1W==\bzdrv{3==(yl)};2W==H} -\hskip1cm -\bzdrv{3==\dimethylene{1==S;2==S}{1W==(yl);2W==H}} -\end{center} -where the ATOMLIST is used to set two sulfur atoms in -the dimethylene chain. - -The macro \verb/\dimethylenei/ is the inverse counterpart of -\verb/\dimethylene/, where arguments ATOMLIST, SUBSLIST, and -BONDLIST take such common formats as found in the -definition of the latter (\textsf{methylen.sty}): -\begin{verbatim} - \dimethylenei[BONDLIST]{ATOMLIST}{SUBSLIST} -\end{verbatim} -The following diagram shows the numbering -for designating substitution positions: -\begin{xymspec} -\begin{picture}(500,500)(0,0) -\put(0,0){\dimethylenei{1==1;2==2}{1Sa==1Sa;1Sb==1Sb;2Sa==2Sa;2Sb==2Sb}} -\put(150,280){a} -\end{picture} -\qquad\fbox{\parbox{2cm}{$\circ$: (50,180) \\ - $\bullet$: (\the\noshift,\the\noshift)}} -\end{xymspec} -Note that the coodinate of position no.~1 is (50, 283), -where 180 + 103 = 283. -The following example shows a specification of the SUBSLIST. -\begin{verbatim} -\dimethylenei{}{1W==R$^{\prime}$;2W==R$^{\prime}$;1D==O;2==OH} -\hskip3cm -\dimethylenei{}{1W==R$^{\prime}$;% -2Sa==R$^{\prime}$;2Sb==R$^{\prime\prime}$;1D==O;2W==OH} -\end{verbatim} - -\begin{center} -\dimethylenei{}{1W==R$^{\prime}$;2W==R$^{\prime}$;1D==O;2==OH} -\hskip3cm -\dimethylenei{}{1W==R$^{\prime}$;% -2Sa==R$^{\prime}$;2Sb==R$^{\prime\prime}$;1D==O;2W==OH} -\end{center} - -\section{Trimethylenes} - -The macros \verb/\trimethylene/ and \verb/\trimethylenei/ -and have two arguments ATOMLIST and SUBSLIST -as well as an optional argument BONDLIST (\textsf{methylen.sty}). -% -% \begin{verbatim} -% -% bbb -% 2 -% a / ` b (or uppercase letters) -% / ` -% 1 3 -% aaa ccc -% \end{verbatim} -% -% -\begin{verbatim} - \trimethylene[BONDLIST]{ATOMLIST}{SUBSLIST} - \trimethylenei[BONDLIST]{ATOMLIST}{SUBSLIST} -\end{verbatim} - -The following diagram shows the numbering -for designating substitution positions: -\begin{xymspec} -\begin{picture}(600,500)(0,0) -\put(0,0){\trimethylene{1==1;2==2;3==3}% -{1Sa==1Sa;1Sb==1Sb;2Sa==2Sa;2Sb==2Sb;% -3Sb==\lower10pt\hbox{3Sb};3Sa==3Sa}} -\put(100,250){a} -\put(300,250){b} -\end{picture} -\qquad\fbox{\parbox{2cm}{$\circ$: (50,180) \\ - $\bullet$: (\the\noshift,\the\noshift)}} -\hskip2cm -\begin{picture}(600,500)(0,0) -\put(0,0){\trimethylenei{1==1;2==2;3==3}% -{1Sa==1Sa;1Sb==1Sb;2Sa==2Sa;2Sb==2Sb;% -3Sb==\raise10pt\hbox{3Sb};3Sa==3Sa}} -\put(150,250){a} -\put(250,250){b} -\end{picture} -\qquad\fbox{\parbox{2cm}{$\circ$: (50,180) \\ - $\bullet$: (\the\noshift,\the\noshift)}} -\end{xymspec} - -\vskip1cm -\noindent -Examples: -\begin{verbatim} -\trimethylene[b]{}{1W==R$^{1}$;1==OH;2==R$^{2}$} -\hskip2cm -\trimethylene[a]{}{1W==R$^{1}$;2==R$^{2}$;3W==CHO} -\hskip2cm -\trimethylene[B]{}{2==\null;3W==COOEt;3==Br} -\end{verbatim} -\begin{center} -\trimethylene[b]{}{1W==R$^{1}$;1==OH;2==R$^{2}$} -\hskip2cm -\trimethylene[a]{}{1W==R$^{1}$;2==R$^{2}$;3W==CHO} -\hskip2cm -\trimethylene[B]{}{2==\null;3W==COOEt;3==Br} -\end{center} - -\vskip1cm -\begin{verbatim} -\trimethylenei{}{1W==\bzdrv{2==(yl);1==COOH;5==HO;6==HO};% -3W==CHO;3SA==H;3SB==Me} -\end{verbatim} -\begin{center} -\trimethylenei{}{1W==\bzdrv{2==(yl);1==COOH;5==HO;6==HO};% -3W==CHO;3SA==H;3SB==Me} - -\vspace*{1cm} -\end{center} - -\section{Tetramethylenes} - -The macros \verb/\tetramethylene/ and \verb/\tetramethylenei/ -have two arguments ATOMLIST and SUBSLIST -as well as an optional argument BONDLIST (\textsf{methylen.sty}). -\begin{verbatim} - \tetramethylene[BONDLIST]{ATOMLIST}{SUBSLIST} - \tetramethylenei[BONDLIST]{ATOMLIST}{SUBSLIST} -\end{verbatim} -The following diagram shows the numbering -for designating substitution positions: -\begin{xymspec} -\vspace*{.5cm} -\begin{picture}(600,500)(0,0) -\put(0,0){\tetramethylene{1==1;2==2;3==3;4==4}% -{1Sa==1Sa;1Sb==1Sb;2Sa==2Sa;2Sb==2Sb;% -3Sb==\lower10pt\hbox{3Sb};3Sa==3Sa;4Sa==4Sa;% -4Sb==\raise10pt\hbox{4Sb}}} -\put(250,250){a} -\put(450,250){b} -\put(600,250){c} -\end{picture} -\qquad\fbox{\parbox{2cm}{$\circ$: (200,180) \\ - $\bullet$: (\the\noshift,\the\noshift)}} -\hskip3cm -\begin{picture}(600,500)(0,0) -\put(0,0){\tetramethylenei{1==1;2==2;3==3;4==4}% -{1Sa==1Sa;1Sb==1Sb;2Sa==2Sa;2Sb==2Sb;% -3Sb==\raise10pt\hbox{3Sb};3Sa==3Sa;4Sa==4Sa;% -4Sb==\lower10pt\hbox{4Sb}}} -\put(280,250){a} -\put(400,250){b} -\put(650,250){c} -\end{picture} -\qquad\qquad\fbox{\parbox{2cm}{$\circ$: (200,180) \\ - $\bullet$: (\the\noshift,\the\noshift)}} - -\vspace*{.5cm} -\end{xymspec} - -\vskip1cm -\noindent -Examples: -\begin{verbatim} -\tetramethylenei{}{1W==Cl;1D==O;2B==Br;4W==Cl} -\end{verbatim} -\begin{center} -\tetramethylenei{}{1W==Cl;1D==O;2B==Br;4W==Cl} - -\vspace*{.5cm} -\end{center} - - -\begin{verbatim} -\tetramethylene{}{1W==TBDMS-O;2D==\null;3B==OH;% -4W==\cyclohexanev[e]{6==(yl);3B==\null}} -\end{verbatim} -\begin{center} -\tetramethylene{}{1W==TBDMS-O;2D==\null;3B==OH;% -4W==\cyclohexanev[e]{6==(yl);3B==\null}} - -\vspace*{1cm} -\end{center} - -\begin{verbatim} -\tetramethylene[b]{}{1W==\bzdrv{5==\null;3==(yl)};4W==OH} -\end{verbatim} -\begin{center} -\vspace*{.5cm} -\tetramethylene[b]{}{1W==\bzdrv{5==\null;3==(yl)};4W==OH} -\vspace*{1cm} -\end{center} - -\section{Pentamethylenes} - -The macros \verb/\pentamethylene/ and \verb/\pentamethylenei/ -have two arguments ATOMLIST and SUBSLIST -as well as an optional argument BONDLIST (\textsf{methylen.sty}). -\begin{verbatim} - \pentamethylene[BONDLIST]{ATOMLIST}{SUBSLIST} - \pentamethylenei[BONDLIST]{ATOMLIST}{SUBSLIST} -\end{verbatim} -The following diagram shows the numbering -for designating substitution positions: -\begin{xymspec} -\vspace*{.5cm} -\begin{picture}(600,500)(0,0) -\put(0,0){\pentamethylene{1==1;2==2;3==3;4==4;5==5}% -{1Sa==1Sa;1Sb==1Sb;2Sa==2Sa;2Sb==2Sb;% -3Sb==\lower10pt\hbox{3Sb};3Sa==3Sa;% -4Sa==4Sa;4Sb==\raise10pt\hbox{4Sb};% -5Sa==5Sa;5Sb==\lower10pt\hbox{5Sb}% -}} -\put(250,250){a} -\put(450,250){b} -\put(600,250){c} -\put(800,250){d} -\end{picture} -\qquad\qquad\qquad\fbox{\parbox{2cm}{$\circ$: (200,180) \\ - $\bullet$: (\the\noshift,\the\noshift)}} -\hskip2cm -\begin{picture}(600,500)(0,0) -\put(0,0){\pentamethylenei{1==1;2==2;3==3;4==4;5==5}% -{1Sa==1Sa;1Sb==1Sb;2Sa==2Sa;2Sb==2Sb;% -3Sb==\raise10pt\hbox{3Sb};3Sa==3Sa;% -4Sa==4Sa;4Sb==\lower10pt\hbox{4Sb};% -5Sa==5Sa;5Sb==\raise10pt\hbox{5Sb}% -}} -\put(280,250){a} -\put(400,250){b} -\put(650,250){c} -\put(750,250){d} -\end{picture} -\qquad\qquad\fbox{\parbox{2cm}{$\circ$: (200,180) \\ - $\bullet$: (\the\noshift,\the\noshift)}} - -\vspace*{.5cm} -\end{xymspec} - -\vskip1cm -\noindent -Examples:\nobreak -\begin{verbatim} -\pentamethylene{}{1W==AcO;2B==\null;4B==\null;5W==OH} -\end{verbatim} -\begin{center} -\pentamethylene{}{1W==AcO;2B==\null;4B==\null;5W==OH} -\end{center} - -\begin{verbatim} -\pentamethylenei{}{1W==\fiveheterovi{2==N;5==O}{1D==O;2==(yl);3B==Bn};% -1D==O;2A==OMe;3A==OH;5W==OTBDMS} -\end{verbatim} -\begin{center} -\vspace*{.5cm} -\pentamethylenei{}{1W==\fiveheterovi{2==N;5==O}{1D==O;2==(yl);3B==Bn};% -1D==O;2A==OMe;3A==OH;5W==OTBDMS} - -\vspace*{.5cm} -\end{center} - - -\begin{verbatim} -\pentamethylenei{1==S}{1W==\bzdrv{2==(yl);5==O$_{2}$N};% -1D==O;3==Cl;5==COO$^{-}$;5W==NH$_{3}^{+}$} -\end{verbatim} -\begin{center} -\vspace*{.5cm} -\pentamethylenei{1==S}{1W==\bzdrv{2==(yl);5==O$_{2}$N};% -1D==O;3==Cl;5==COO$^{-}$;5W==NH$_{3}^{+}$} - -\vspace*{.5cm} -\end{center} - -\section{Hexamethylenes} - -The macros \verb/\hexamethylene/ and \verb/\hexamethylenei/ -have two arguments ATOMLIST and SUBSLIST -as well as an optional argument BONDLIST (\textsf{methylen.sty}). -\begin{verbatim} - \hexamethylene[BONDLIST]{ATOMLIST}{SUBSLIST} - \hexamethylenei[BONDLIST]{ATOMLIST}{SUBSLIST} -\end{verbatim} -The following diagram shows the numbering -for designating substitution positions: -\begin{xymspec} -\vspace*{.5cm} -\begin{picture}(800,500)(0,0) -\put(0,0){\hexamethylene{1==1;2==2;3==3;4==4;5==5;6==6}% -{1Sa==1Sa;1Sb==1Sb;2Sa==2Sa;2Sb==2Sb;% -3Sb==\lower10pt\hbox{3Sb};3Sa==3Sa;% -4Sa==4Sa;4Sb==\raise10pt\hbox{4Sb};% -5Sa==5Sa;5Sb==\lower10pt\hbox{5Sb};% -6Sa==6Sa;6Sb==\raise10pt\hbox{6Sb}% -}} -\put(250,250){a} -\put(450,250){b} -\put(600,250){c} -\put(800,250){d} -\put(950,250){e} -\end{picture} -\qquad\qquad\fbox{\parbox{2cm}{$\circ$: (200,180) \\ - $\bullet$: (\the\noshift,\the\noshift)}} -\hskip1cm -\begin{picture}(850,500)(0,0) -\put(0,0){\hexamethylenei{1==1;2==2;3==3;4==4;5==5;6==6}% -{1Sa==1Sa;1Sb==1Sb;2Sa==2Sa;2Sb==2Sb;% -3Sb==\raise10pt\hbox{3Sb};3Sa==3Sa;% -4Sa==4Sa;4Sb==\lower10pt\hbox{4Sb};% -5Sa==5Sa;5Sb==\raise10pt\hbox{5Sb};% -6Sa==6Sa;6Sb==\lower10pt\hbox{6Sb}% -}} -\put(280,250){a} -\put(400,250){b} -\put(650,250){c} -\put(750,250){d} -\put(1000,250){e} -\end{picture} -\qquad\qquad\fbox{\parbox{2cm}{$\circ$: (200,180) \\ - $\bullet$: (\the\noshift,\the\noshift)}} - -\vspace*{.5cm} -\end{xymspec} - -\vskip1cm -\noindent -Examples:\nobreak -\begin{verbatim} -\hexamethylene{}{2==\null;4D==O;6D==O;6W==OEt} -\end{verbatim} -\begin{center} -\hexamethylene{}{2==\null;4D==O;6D==O;6W==OEt} -\end{center} - -\begin{verbatim} -\hexamethylene[a]{}{4B==OH;5B==NHBoc;6W==OTBDPS} -\end{verbatim} -\begin{center} -\hexamethylene[a]{}{4B==OH;5B==NHBoc;6W==OTBDPS} -\end{center} - -\begin{verbatim} -\hexamethylene{}{1W==PhSO$_{2}$;1B==OMe;2A==OH;5D==\null;6W==SiMe$_{3}$} -\end{verbatim} -\begin{center} -\hexamethylene{}{1W==PhSO$_{2}$;1B==OMe;2A==OH;5D==\null;6W==SiMe$_{3}$} -\end{center} - -\begin{verbatim} -\hexamethylenei[a]{}{1W==Ph;3B==\null;4A==OTBS;6D==O;6W==H} -\end{verbatim} -\begin{center} -\hexamethylenei[a]{}{1W==Ph;3B==\null;4A==OTBS;6D==O;6W==H} -\end{center} - -\section{Heptamethylenes} - -The macros \verb/\heptamethylene/ and \verb/\heptamethylenei/ -have two arguments ATOMLIST and SUBSLIST -as well as an optional argument BONDLIST (\textsf{methylen.sty}). -\begin{verbatim} - \heptamethylene[BONDLIST]{ATOMLIST}{SUBSLIST} - \heptamethylenei[BONDLIST]{ATOMLIST}{SUBSLIST} -\end{verbatim} -The following diagram shows the numbering -for designating substitution positions: -\begin{xymspec} -\vspace*{.5cm} -\begin{picture}(1000,500)(0,0) -\put(0,0){\heptamethylene{1==1;2==2;3==3;4==4;5==5;6==6;7==7}% -{1Sa==1Sa;1Sb==1Sb;2Sa==2Sa;2Sb==2Sb;% -3Sb==\lower10pt\hbox{3Sb};3Sa==3Sa;% -4Sa==4Sa;4Sb==\raise10pt\hbox{4Sb};% -5Sa==5Sa;5Sb==\lower10pt\hbox{5Sb};% -6Sa==6Sa;6Sb==\raise10pt\hbox{6Sb};% -7Sa==7Sa;7Sb==\lower10pt\hbox{7Sb}% -}} -\put(250,250){a} -\put(450,250){b} -\put(600,250){c} -\put(800,250){d} -\put(950,250){e} -\put(1150,250){f} -\end{picture} -\qquad\qquad\fbox{\parbox{2cm}{$\circ$: (200,180) \\ - $\bullet$: (\the\noshift,\the\noshift)}} -\hskip1cm -\begin{picture}(1050,500)(0,0) -\put(0,0){\heptamethylenei{1==1;2==2;3==3;4==4;5==5;6==6;7==7}% -{1Sa==1Sa;1Sb==1Sb;2Sa==2Sa;2Sb==2Sb;% -3Sb==\raise10pt\hbox{3Sb};3Sa==3Sa;% -4Sa==4Sa;4Sb==\lower10pt\hbox{4Sb};% -5Sa==5Sa;5Sb==\raise10pt\hbox{5Sb};% -6Sa==6Sa;6Sb==\lower10pt\hbox{6Sb};% -7Sa==7Sa;7Sb==\raise10pt\hbox{7Sb}% -}} -\put(280,250){a} -\put(400,250){b} -\put(650,250){c} -\put(750,250){d} -\put(1000,250){e} -\put(1100,250){f} -\end{picture} -\qquad\fbox{\parbox{2cm}{$\circ$: (200,180) \\ - $\bullet$: (\the\noshift,\the\noshift)}} - -\vspace*{.5cm} -\end{xymspec} - - -\vskip1cm -\noindent -Examples:\nobreak -\begin{verbatim} -\heptamethylene[a]{}{1W==\cyclopentanevi[b]{3==(yl);5Sa==\null;5Sb==\null};% -5D==O;6D==N$_{2}$} -\end{verbatim} -\begin{center} -\vspace*{1cm} -\heptamethylene[a]{}{1W==\cyclopentanevi[b]{3==(yl);5Sa==\null;5Sb==\null};% -5D==O;6D==N$_{2}$} - -\vspace*{1cm} -\end{center} - - -\begin{verbatim} -\heptamethylenei{}{1W==\bzdrv{1==COOH;2==(yl);5==HO;6==HO};% -3B==Me;4B==OH;5A==Me;6D==O;7A==Et;% -7W==\fiveheterov{1==O}{5==(yl);5SB==H;4GB==Me;2GA==Et;% -2Su==\sixheterovi{1==O}{6==(yl);6FA==H;3SB==OH;3SA==Et;2A==Me}}} -\end{verbatim} -\begin{center} -\vspace*{1cm} -\heptamethylenei{}{1W==\bzdrv{1==COOH;2==(yl);5==HO;6==HO};% -3B==Me;4B==OH;5A==Me;6D==O;7A==Et;% -7W==\fiveheterov{1==O}{5==(yl);5SB==H;4GB==Me;2GA==Et;% -2Su==\sixheterovi{1==O}{6==(yl);6FA==H;3SB==OH;3SA==Et;2A==Me}}} - -\vspace*{1cm} -\end{center} - - -\section{Octamethylenes} - -The macros \verb/\octamethylene/ and \verb/\octamethylenei/ -have two arguments ATOMLIST and SUBSLIST -as well as an optional argument BONDLIST (\textsf{methylen.sty}). -\begin{verbatim} - \octamethylene[BONDLIST]{ATOMLIST}{SUBSLIST} - \octamethylenei[BONDLIST]{ATOMLIST}{SUBSLIST} -\end{verbatim} -The following diagram shows the numbering -for designating substitution positions: -\begin{xymspec} -\vspace*{.5cm} -\begin{picture}(1300,700)(0,0) -\put(0,0){\octamethylene{1==1;2==2;3==3;4==4;5==5;6==6;7==7;8==8}% -{1Sa==1Sa;1Sb==1Sb;2Sa==2Sa;2Sb==2Sb;% -3Sb==\lower10pt\hbox{3Sb};3Sa==3Sa;% -4Sa==4Sa;4Sb==\raise10pt\hbox{4Sb};% -5Sa==5Sa;5Sb==\lower10pt\hbox{5Sb};% -6Sa==6Sa;6Sb==\raise10pt\hbox{6Sb};% -7Sa==7Sa;7Sb==\lower10pt\hbox{7Sb};% -8Sa==8Sa;8Sb==\raise10pt\hbox{8Sb}% -}} -\put(250,250){a} -\put(450,250){b} -\put(600,250){c} -\put(800,250){d} -\put(950,250){e} -\put(1150,250){f} -\put(1250,250){g} -\end{picture} -\qquad\qquad\fbox{\parbox{2cm}{$\circ$: (200,180) \\ - $\bullet$: (\the\noshift,\the\noshift)}} -\par -\begin{picture}(1300,700)(0,0) -\put(0,0){\octamethylenei{1==1;2==2;3==3;4==4;5==5;6==6;7==7;8==8}% -{1Sa==1Sa;1Sb==1Sb;2Sa==2Sa;2Sb==2Sb;% -3Sb==\raise10pt\hbox{3Sb};3Sa==3Sa;% -4Sa==4Sa;4Sb==\lower10pt\hbox{4Sb};% -5Sa==5Sa;5Sb==\raise10pt\hbox{5Sb};% -6Sa==6Sa;6Sb==\lower10pt\hbox{6Sb};% -7Sa==7Sa;7Sb==\raise10pt\hbox{7Sb};% -8Sa==8Sa;8Sb==\lower10pt\hbox{8Sb}% -}} -\put(280,250){a} -\put(400,250){b} -\put(650,250){c} -\put(750,250){d} -\put(1000,250){e} -\put(1100,250){f} -\put(1300,250){g} -\end{picture} -\qquad\qquad\fbox{\parbox{2cm}{$\circ$: (200,180) \\ - $\bullet$: (\the\noshift,\the\noshift)}} - -\vspace*{.5cm} -\end{xymspec} - -\vskip1cm -\noindent -Examples:\nobreak -\begin{verbatim} -\octamethylene[eg]{}{1W==HOHN;1D==O;4B==OBn} -\end{verbatim} -\begin{center} -\octamethylene[eg]{}{1W==HOHN;1D==O;4B==OBn} -\end{center} - - -\begin{verbatim} -\octamethylenei[af]{}{1W==Ph;3B==\null;4A==OH;8D==O;% -8W==\ryl(4==NH){% -5==\tetramethylene{3==O}{1==(yl);2D==O;4W==CCl$_{3}$;% -1SA==\ryl{8==\bzdrv{1==(yl);3==Cl;4==OMe}}}}} -\end{verbatim} -\begin{center} -\vspace*{1cm} -\octamethylenei[af]{}{1W==Ph;3B==\null;4A==OH;8D==O;% -8W==\ryl(4==NH){% -5==\tetramethylene{3==O}{1==(yl);2D==O;4W==CCl$_{3}$;% -1SA==\ryl{8==\bzdrv{1==(yl);3==Cl;4==OMe}}}}} - -\vspace*{2cm} -\end{center} - - -\section{Nonamethylenes} - -The macros \verb/\nonamethylene/ and \verb/\nonamethylenei/ -have two arguments ATOMLIST and SUBSLIST -as well as an optional argument BONDLIST (\textsf{methylen.sty}). -\begin{verbatim} - \nonamethylene[BONDLIST]{ATOMLIST}{SUBSLIST} - \nonamethylenei[BONDLIST]{ATOMLIST}{SUBSLIST} -\end{verbatim} -The following diagram shows the numbering -for designating substitution positions: -\begin{xymspec} -\vspace*{.5cm} -\begin{picture}(1500,700)(0,0) -\put(0,0){\nonamethylene{1==1;2==2;3==3;4==4;5==5;6==6;7==7;8==8;9==9}% -{1Sa==1Sa;1Sb==1Sb;2Sa==2Sa;2Sb==2Sb;% -3Sb==\lower10pt\hbox{3Sb};3Sa==3Sa;% -4Sa==4Sa;4Sb==\raise10pt\hbox{4Sb};% -5Sa==5Sa;5Sb==\lower10pt\hbox{5Sb};% -6Sa==6Sa;6Sb==\raise10pt\hbox{6Sb};% -7Sa==7Sa;7Sb==\lower10pt\hbox{7Sb};% -8Sa==8Sa;8Sb==\raise10pt\hbox{8Sb};% -9Sa==9Sa;9Sb==\lower10pt\hbox{9Sb}% -}} -\put(250,250){a} -\put(450,250){b} -\put(600,250){c} -\put(800,250){d} -\put(950,250){e} -\put(1150,250){f} -\put(1250,250){g} -\put(1450,250){h} -\end{picture} -\qquad\qquad\fbox{\parbox{2cm}{$\circ$: (200,180) \\ - $\bullet$: (\the\noshift,\the\noshift)}} -\par -\begin{picture}(1500,700)(0,0) -\put(0,0){\nonamethylenei{1==1;2==2;3==3;4==4;5==5;6==6;7==7;8==8;9==9}% -{1Sa==1Sa;1Sb==1Sb;2Sa==2Sa;2Sb==2Sb;% -3Sb==\raise10pt\hbox{3Sb};3Sa==3Sa;% -4Sa==4Sa;4Sb==\lower10pt\hbox{4Sb};% -5Sa==5Sa;5Sb==\raise10pt\hbox{5Sb};% -6Sa==6Sa;6Sb==\lower10pt\hbox{6Sb};% -7Sa==7Sa;7Sb==\raise10pt\hbox{7Sb};% -8Sa==8Sa;8Sb==\lower10pt\hbox{8Sb};% -9Sa==9Sa;9Sb==\raise10pt\hbox{9Sb}% -}} -\put(280,250){a} -\put(400,250){b} -\put(650,250){c} -\put(750,250){d} -\put(1000,250){e} -\put(1100,250){f} -\put(1300,250){g} -\put(1450,250){h} -\end{picture} -\qquad\qquad\fbox{\parbox{2cm}{$\circ$: (200,180) \\ - $\bullet$: (\the\noshift,\the\noshift)}} - -\vspace*{.5cm} -\end{xymspec} - -\vskip1cm -\noindent -Examples:\nobreak -\begin{verbatim} -\nonamethylene[a]{}{6D==O;9W==COOEt;9==COOEt} -\end{verbatim} -\begin{center} -\nonamethylene[a]{}{6D==O;9W==COOEt;9==COOEt} -\end{center} - -\begin{verbatim} -\nonamethylenei[a]{}{1W==Ph;4SB==\null;4SA==H;8==\null} -\end{verbatim} -\begin{center} -\nonamethylenei[a]{}{1W==Ph;4SB==\null;4SA==H;8==\null} -\end{center} - - -\section{Decamethylenes} - -The macros \verb/\decamethylene/ and \verb/\decamethylenei/ -have two arguments ATOMLIST and SUBSLIST -as well as an optional argument BONDLIST (\textsf{methylen.sty}). -\begin{verbatim} - \decamethylene[BONDLIST]{ATOMLIST}{SUBSLIST} - \decamethylenei[BONDLIST]{ATOMLIST}{SUBSLIST} -\end{verbatim} -The following diagram shows the numbering -for designating substitution positions: -\begin{xymspec} -\vspace*{.5cm} -\begin{picture}(1700,700)(0,0) -\put(0,0){\decamethylene{1==1;2==2;3==3;4==4;5==5;6==6;7==7;% -8==8;9==9;{{10}}==10}% -{1Sa==1Sa;1Sb==1Sb;2Sa==2Sa;2Sb==2Sb;% -3Sb==\lower10pt\hbox{3Sb};3Sa==3Sa;% -4Sa==4Sa;4Sb==\raise10pt\hbox{4Sb};% -5Sa==5Sa;5Sb==\lower10pt\hbox{5Sb};% -6Sa==6Sa;6Sb==\raise10pt\hbox{6Sb};% -7Sa==7Sa;7Sb==\lower10pt\hbox{7Sb};% -8Sa==8Sa;8Sb==\raise10pt\hbox{8Sb};% -9Sa==9Sa;9Sb==\lower10pt\hbox{9Sb};% -{10}Sa==10Sa;{10}Sb==\raise10pt\hbox{10Sb}% -}} -\put(250,250){a} -\put(450,250){b} -\put(600,250){c} -\put(800,250){d} -\put(950,250){e} -\put(1150,250){f} -\put(1250,250){g} -\put(1450,250){h} -\put(1650,250){i} -\end{picture} -\qquad\qquad\fbox{\parbox{2cm}{$\circ$: (200,180) \\ - $\bullet$: (\the\noshift,\the\noshift)}} -\par -\begin{picture}(1700,700)(0,0) -\put(0,0){\decamethylenei{1==1;2==2;3==3;4==4;5==5;6==6;7==7;% -8==8;9==9;{{10}}==10}% -{1Sa==1Sa;1Sb==1Sb;2Sa==2Sa;2Sb==2Sb;% -3Sb==\raise10pt\hbox{3Sb};3Sa==3Sa;% -4Sa==4Sa;4Sb==\lower10pt\hbox{4Sb};% -5Sa==5Sa;5Sb==\raise10pt\hbox{5Sb};% -6Sa==6Sa;6Sb==\lower10pt\hbox{6Sb};% -7Sa==7Sa;7Sb==\raise10pt\hbox{7Sb};% -8Sa==8Sa;8Sb==\lower10pt\hbox{8Sb};% -9Sa==9Sa;9Sb==\raise10pt\hbox{9Sb};% -{10}Sa==10Sa;{10}Sb==\lower10pt\hbox{10Sb}% -}} -\put(280,250){a} -\put(400,250){b} -\put(650,250){c} -\put(750,250){d} -\put(1000,250){e} -\put(1100,250){f} -\put(1300,250){g} -\put(1450,250){h} -\put(1650,250){i} -\end{picture} -\qquad\qquad\fbox{\parbox{2cm}{$\circ$: (200,180) \\ - $\bullet$: (\the\noshift,\the\noshift)}} - -\vspace*{.5cm} -\end{xymspec} - -\vskip1cm -\noindent -Examples:\nobreak -\begin{verbatim} -\decamethylene[acf]{}{9==OH} -\end{verbatim} -\begin{center} -\decamethylene[acf]{}{9==OH} -\end{center} - -\begin{verbatim} -\decamethylenei[b]{}{1==\lmoiety{TBMSO};3==\null;4A==MeO;6A==OTBDMS;% -9B==\null;{10}D==O;% -{10}W==\ryl(4==O){5==\dimethylene{}{1==(yl);2D==O;2W==OMe}}} -\end{verbatim} -\begin{center} -\decamethylenei[b]{}{1==\lmoiety{TBMSO};3==\null;4A==MeO;6A==OTBDMS;% -9B==\null;{10}D==O;% -{10}W==\ryl(4==O){5==\dimethylene{}{1==(yl);2D==O;2W==OMe}}} -\end{center} - -\begin{verbatim} -\decamethylenei[b]{}{1==\lmoiety{TBMSO};3==\null;4A==MeO;6A==OTBDMS;% -9B==\null;{10}D==O;% -{10}W==\trimethylenei{1==O}{1==(yl);3D==O;3W==OMe}} -\end{verbatim} -\begin{center} -\decamethylenei[b]{}{1==\lmoiety{TBMSO};3==\null;4A==MeO;6A==OTBDMS;% -9B==\null;{10}D==O;% -{10}W==\trimethylenei{1==O}{1==(yl);3D==O;3W==OMe}} -\end{center} - -\section{Longer Polymethylene Chains} - -A polymethylene chain longer than ten carbons -should be written by combining two or more units -selected from the above-mentioned di- to deca-methylenes. - -To do this task, we regard one unit -as a substituent of another unit. In this method, -the code for the former unit is written in the -SUBSLIST of the code for the latter. For example, the code, -\begin{verbatim} -\decamethylene{}{9D==\null;% -{10}W==\pentamethylene{}{1==(yl);3==\null;4==OBz}} -\end{verbatim} -generates the following formula: -\begin{center} -\decamethylene{}{9D==\null;% -{10}W==\pentamethylene{}{1==(yl);3==\null;4==OBz}} -\end{center} -Alternatively, we regard one unit as a -replacement part of another unit, where -the code for the former unit is written in the -BONDLIST of the code for the latter (see spiro compounds). -The same formula with slightly different appearance -can be typeset by the code, -\begin{verbatim} -\decamethylene{{10}s==\hexamethylenei{}{1==(yl);4==\null;5==OBz}% -}{9D==\null} -\end{verbatim} -which gives -\begin{center} -\decamethylene{{10}s==\hexamethylenei{}{1==(yl);4==\null;5==OBz}% -}{9D==\null} -\end{center} - -\section{Cisoid Tetramethylenes} - -The macros \verb/\tetramethylenecup/ and \verb/\tetramethylenecap/ -have two arguments ATOMLIST and SUBSLIST -as well as an optional argument BONDLIST (\textsf{methylen.sty}). -\begin{verbatim} - \tetramethylenecup[BONDLIST]{ATOMLIST}{SUBSLIST} - \tetramethylenecap[BONDLIST]{ATOMLIST}{SUBSLIST} -\end{verbatim} -The following diagram shows the numbering -for designating substitution positions: -\begin{xymspec} -\vspace*{.5cm} -\begin{picture}(600,500)(0,0) -\put(0,0){\tetramethylenecup{1==1;2==2;3==3;4==4}% -{1Sa==1Sa;1Sb==1Sb;2Sa==2Sa;2Sb==2Sb;% -3Sb==\lower10pt\hbox{3Sb};3Sa==3Sa;4Sa==4Sa;4Sb==4Sb}} -\put(300,250){a} -\put(450,200){b} -\put(600,250){c} -\end{picture} -\qquad\fbox{\parbox{2cm}{$\circ$: (200,180) \\ - $\bullet$: (\the\noshift,\the\noshift)}} -\hskip3cm -\begin{picture}(600,500)(0,0) -\put(0,0){\tetramethylenecap{1==1;2==2;3==3;4==4}% -{1Sa==1Sa;1Sb==1Sb;2Sa==2Sa;2Sb==2Sb;% -3Sb==\raise10pt\hbox{3Sb};3Sa==3Sa;4Sa==4Sa;4Sb==4Sb}} -\put(200,250){a} -\put(500,150){b} -\put(650,250){c} -\end{picture} -\qquad\qquad\fbox{\parbox{2cm}{$\circ$: (200,180) \\ - $\bullet$: (\the\noshift,\the\noshift)}} - -\vspace*{.5cm} -\end{xymspec} - -\vskip1cm -\noindent -Examples:\nobreak -\begin{verbatim} -\tetramethylenecap[b]{1s==\dimethylenei{}{1W==HO;2==(yl)};% -4s==\trimethylene{}{3W==CN;1==(yl)}}{} -\end{verbatim} -\begin{center} -\tetramethylenecap[b]{1s==\dimethylenei{}{1W==HO;2==(yl)};% -4s==\trimethylene{}{3W==CN;1==(yl)}}{} -\end{center} - -\begin{verbatim} -\cyclopentanevi{1D==O;4A==HO;% -2A==\tetramethylenecup[b]{% -4s==\trimethylenei{}{1==(yl);3W==COOMe}}{1==(yl)};% -3B==\trimethylene[a]{}{1==(yl);3A==OH;3W==C$_{5}$H$_{11}$}} -\end{verbatim} -\begin{center} -\cyclopentanevi{1D==O;4A==HO;% -2A==\tetramethylenecup[b]{% -4s==\trimethylenei{}{1==(yl);3W==COOMe}}{1==(yl)};% -3B==\trimethylene[a]{}{1==(yl);3A==OH;3W==C$_{5}$H$_{11}$}} -\end{center} - -\section{Ring Fusion to Polymethylenes} - -The BONDLIST of each ``methylene'' command can accept bond fusion. - -\vskip1cm -\noindent -Examples:\nobreak -\begin{verbatim} -\nonamethylene[{h\threefusehi({cA}){3==O}{}{a}}]{}{1W==Me;1A==OH} -\end{verbatim} -\begin{center} -\vspace*{1cm} -\nonamethylene[{h\threefusehi({cA}){3==O}{}{a}}]{}{1W==Me;1A==OH} - -\vspace*{1cm} -\end{center} - -\begin{verbatim} -\tetramethylenecup[{b\threefusev({aB}{cB}){1==O}{}{B}}]% -{}{1D==O;1W==H$_{2}$N;4D==O;4W==nC$_{8}$H$_{17}$} -\end{verbatim} -\begin{center} -\vspace*{1cm} -\tetramethylenecup[{b\threefusev({aB}{cB}){1==O}{}{B}}]% -{}{1D==O;1W==H$_{2}$N;4D==O;4W==nC$_{8}$H$_{17}$} - -\vspace*{1cm} -\end{center} - - -\begin{verbatim} -\pentamethylenei[{c\threefusehi({bA}{cA}){3==O}{}{a}}]{}{1W==Ph;5W==OH} -\end{verbatim} -\begin{center} -\vspace*{1cm} -\pentamethylenei[{c\threefusehi({bA}{cA}){3==O}{}{a}}]{}{1W==Ph;5W==OH} - -\vspace*{1cm} -\end{center} - - -\section{Ring Replacement to Polymethylenes} - - -The ATOMLIST of each ``methylene'' command can accept atom or -ring replacement. - -\vskip1cm -\noindent -Examples:\nobreak -\begin{verbatim} -\trimethylenei{3s==\fiveheterov{2==O;5==O}{1==(yl)}}{1W==PhSO$_{2}$;3W==R} -\end{verbatim} -\begin{center} -\vspace*{1cm} -\trimethylenei{3s==\fiveheterov{2==O;5==O}{1==(yl)}}{1W==PhSO$_{2}$;3W==R} - -\vspace*{1cm} -\end{center} - - -\begin{verbatim} -\tetramethylenecup[b]{% -1s==\nonamethylenei{3s==\fiveheterov{2==O;5==O}{1==(yl)}}{9==(yl)};% -4s==\ryl{5A==\sixheterovi{1==N}{1==Bn;% -2B==\ryl{8==OBn};3A==OBn;6==(yl)}}}{} -\end{verbatim} -\begin{center} -\vspace*{1cm} -\tetramethylenecup[b]{% -1s==\nonamethylenei{3s==\fiveheterov{2==O;5==O}{1==(yl)}}{9==(yl)};% -4s==\ryl{5A==\sixheterovi{1==N}{1==Bn;% -2B==\ryl{8==OBn};3A==OBn;6==(yl)}}}{} - -\vspace*{1cm} -\end{center} - -\begin{verbatim} -\tetramethylene{% -2s==\sixheterovi{2==O;6==O}{4Sa==\null;4Sb==\null;1==(yl)};% -4s==\ryl{5B==\cyclohexanev[d]{6==(yl);1A==\null;% -5==\Utrigonal{0==C;1D==O;2==(yl);3==H}}}}{} -\end{verbatim} -\begin{center} -\vspace*{1cm} -\tetramethylene{% -2s==\sixheterovi{2==O;6==O}{4Sa==\null;4Sb==\null;1==(yl)};% -4s==\ryl{5B==\cyclohexanev[d]{6==(yl);1A==\null;% -5==\Utrigonal{0==C;1D==O;2==(yl);3==H}}}}{} - -\vspace*{1cm} -\end{center} - -\section{Branched Chains} - -Branched chains can be drawn by using a ``methylene'' command -with the ``yl''-function. - -\vskip1cm -\noindent -Examples:\nobreak -\begin{verbatim} -\decamethylene[bf]{}{% -2==\dimethylene{}{1==(yl)};6==\dimethylene{}{1==(yl)};% -{10}W==OH;{{10}}==\null} -\end{verbatim} -\begin{center} -\vspace*{1cm} -\decamethylene[bf]{}{% -2==\dimethylene{}{1==(yl)};6==\dimethylene{}{1==(yl)};% -{10}W==OH;{{10}}==\null} - -\vspace*{1cm} -\end{center} - -\begin{verbatim} -\tetramethylene{}{1W==BuO;1D==O;4W==OTBDPS;% -2==\dimethylene{}{1==(yl);2D==O;2W==H}} -\end{verbatim} -\begin{center} -\vspace*{1cm} -\tetramethylene{}{1W==BuO;1D==O;4W==OTBDPS;% -2==\dimethylene{}{1==(yl);2D==O;2W==H}} - -\vspace*{1cm} -\end{center} - - -\begin{verbatim} -\octamethylene[bd]{}{1W==MEMO;% -6==\tetramethylenei[a]{}{4==(yl);1W==EtOCO}} -\end{verbatim} -\begin{center} -\vspace*{1cm} -\octamethylene[bd]{}{1W==MEMO;% -6==\tetramethylenei[a]{}{4==(yl);1W==EtOCO}} - -\vspace*{1cm} -\end{center} - - -\chapter{Enhanced Functions of Commands for General Use} - -\section{Expanded Format} - -Commands for general use, e.g. \verb/\sixheterov/, have originally -taken a comman format: -\begin{verbatim} -\genCOM[BONDLIST]{ATOMLIST}{SUBSLIST} -\end{verbatim} -where \verb/\genCOM/ represents a command name such as -\verb/\sixheterov/. In \XyMTeX{} version 2.00, -we add a top optional argument SKBONDLIST -to treat stereochemical information as well as -an end optional argument OMIT to treat a bond-deleted skeleton. -Thus, the expanded format of each command for general use -is represented by -\begin{verbatim} -\genCOM(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT] -\end{verbatim} -The argument SKBONDLIST contains pairs of two alphabets in braces, -where each pair consists of a bond specifier (a lowercase letter) -and an uppercase letter (A or B). -The letter A represents an $\alpha$ (downward) bond, -while B represents a $\beta$ (upward) bond. For example, -an SKBONDLIST, \verb/({aA}{cB})/, represents that -bond `a' is an $\alpha$ bond in a dotted form and -that bond `c' is a $\beta$ bond in a boldfaced form. -The argument OMIT is a list of bond specifiers, each of -which designates a bond to be deleted. As a matter of course, -SKBONDLIST and OMIT take no common bond specifiers. - -\section{Boldfaced and Dotted Bonds} - -The following example shows that -the \verb/\sixheterov/ command takes an optional SKBONDLIST, -\verb/({eB})/, which typesets a boldfaced bond at `e' in -the resulting tetrahydropyran ring. -\begin{verbatim} -\sixheterov({eB}){6==O}{1D==O;2A==\null;4A==\null;% -5==\tetramethylenei{}{1W==HO;1D==O;2B==\null;3B==OH;4B==\null;4==(yl)}} -\end{verbatim} -\begin{center} -\sixheterov({eB}){6==O}{1D==O;2A==\null;4A==\null;% -5==\tetramethylenei{}{1W==HO;1D==O;2B==\null;3B==OH;4B==\null;4==(yl)}} -\end{center} -This is an example of the substitution technique in which -the side-chain is based on \verb/\tetramethylenei/ written in the -SUBSLIST of the outer \verb/\sixheterov/ command. - -The same structural formula can alternatively drawn by -means of the replacement technique, in which -the BONDLIST of the \verb/\sixheterov/ command is used -for specifying the side-chain. Thus, the code, -\begin{verbatim} -\sixheterov({eB}){6==O;% -5s==\pentamethylenei{}{1W==HO;1D==O;2B==\null;3B==OH;4B==\null;5==(yl)}% -}{1D==O;2A==\null;4A==\null} -\end{verbatim} -generates the following formula: -\begin{center} -\sixheterov({eB}){6==O;% -5s==\pentamethylenei{}{1W==HO;1D==O;2B==\null;3B==OH;4B==\null;5==(yl)}% -}{1D==O;2A==\null;4A==\null} -\end{center} - -We have further examples in which the \verb/\sixheterov/ command -takes an optional SKBONDLIST. -The following two examples show the comparison between -the substitution and the replacement technique, -giving formulas of chemically equivalence with -slightly different bond lengthes. -\begin{verbatim} -\sixheterov({bA}{eB}){3==O;5==O}{1A==Me;4Sa==\null;4Sb==\null;% -6==\hexamethylene{}{1W==MeS;1==Cl;3B==OMe;4B==Me;5A==OAc;6A==Me;6==(yl)}; -2==\hexamethylenei[bd]{}{1==(yl);1B==Me;5==COOMe}} -\end{verbatim} -\begin{center} -\sixheterov({bA}{eB}){3==O;5==O}{1A==Me;4Sa==\null;4Sb==\null;% -6==\hexamethylene{}{1W==MeS;1==Cl;3B==OMe;4B==Me;5A==OAc;6A==Me;6==(yl)}; -2==\hexamethylenei[bd]{}{1==(yl);1B==Me;5==COOMe}} -\end{center} - - -\begin{verbatim} -\sixheterov({bA}{eB}){3==O;5==O;% -6s==\heptamethylene{}{1W==MeS;1==Cl;3B==OMe;4B==Me;5A==OAc;6A==Me;7==(yl)}; -2s==\heptamethylene[ce]{}{1==(yl);2B==Me;6==COOMe}% -}{1A==Me;4Sa==\null;4Sb==\null} -\end{verbatim} -\begin{center} -\sixheterov({bA}{eB}){3==O;5==O;% -6s==\heptamethylene{}{1W==MeS;1==Cl;3B==OMe;4B==Me;5A==OAc;6A==Me;7==(yl)}; -2s==\heptamethylene[ce]{}{1==(yl);2B==Me;6==COOMe}% -}{1A==Me;4Sa==\null;4Sb==\null} -\end{center} - -The following structure shows the use of SKBONDLIST in -drawing a spiro ring. - -\begin{verbatim} -\sixheterov[be]{% -1s==\fiveheterov({aA}{eB}){4==N}% -{4==PhCH$_{2}$OCO;3SB==H;3SA==COOCH$_{2}$Ph;5D==O;1==(yl)}% -}{4D==O} -\end{verbatim} -\begin{center} -\vspace*{1cm} -\sixheterov[be]{% -1s==\fiveheterov({aA}{eB}){4==N}% -{4==PhCH$_{2}$OCO;3SB==H;3SA==COOCH$_{2}$Ph;5D==O;1==(yl)}% -}{4D==O} -\end{center} - -\section{Bond Deletion} - -The OMIT argument of each command for general use is used -to draw a large ring. The following example is -a simple case in which one bond is deleted: -\begin{verbatim} -\decaheterov{9==O}{4==O;8D==O;5==CH$_{3}$}[k] -\end{verbatim} -\begin{center} -\decaheterov{9==O}{4==O;8D==O;5==CH$_{3}$}[k] -\end{center} - -The absence and presence of the OMIT argument -give different formulas as follows. -\begin{verbatim} -\decaheterov[{k\threefuseh{}{}{b}}]{}{} -\decaheterov[{k\threefuseh{}{}{b}}]{}{}[k] -\end{verbatim} -\begin{center} -\decaheterov[{k\threefuseh{}{}{b}}]{}{} -\decaheterov[{k\threefuseh{}{}{b}}]{}{}[k] -\end{center} - -A complicated case contains a ring fusion as follows. -First, the code -\begin{verbatim} -\decaheterov[cegi]{2==\null}{6==MeO;8==OMe;1D==O}[b] -\end{verbatim} -generates the follwing formula: -\begin{center} -\decaheterov[cegi]{2==\null}{6==MeO;8==OMe;1D==O}[b] -\end{center} -where \verb/[b]/ indicates the deletion of bond `b'. -A similar mechanism is also available in a fusing unit, -\verb/\sixunitv/. The code, -\begin{verbatim} -\sixfusev{6==O}{}{E}[b] -\end{verbatim} -generates a formula: -\begin{center} -\sixfusev{6==O}{}{E}[b] - -\vspace*{2cm} -\end{center} -where bond `e' is deleted by means of the FUSE argument (E) -and bond `b' is deleted by means of the OMIT argument (b). -Finally, we have the structural formula of zearalenone: -\begin{verbatim} -\decaheterov[cegi% -{b\sixfusev[% -{b\sixfusev{}{3D==O}{E}}% -]{6==O}{}{E}[b]}% -]{2==\null% -}{6==MeO;8==OMe;1D==O}[b] -\end{verbatim} -\begin{center} -\decaheterov[cegi% -{b\sixfusev[% -{b\sixfusev{}{3D==O}{E}}% -]{6==O}{}{E}[b]}% -]{2==\null% -}{6==MeO;8==OMe;1D==O}[b] -\end{center} - -Intermediates for steroid synthesis via intermolecular -cycloadditions of $o$-quinodimethane derivatives -(Kametani, et al. {\em J. Org. Chem.}, 1980, {\bf 45}, 2204; -Grieco, et al. {\em J. Org. Chem.}, 1980, {\bf 45}, 2247) -can be drawn by the bond deletion of \verb/\decaheterov/ and -\verb/\nonaheterov/. -\begin{verbatim} -\decaheterov({jA}{dB}){% -2s==\fourhetero[{b\sixfusev[ace]{}{2==OMe}{e}}]% -{}{1==(yl)}% -}{6B==HO;9A==H;{10}B==\null;1D==\null}[a] -\end{verbatim} -\begin{center} -\vspace*{1cm} -\decaheterov({jA}{dB}){% -2s==\fourhetero[{b\sixfusev[ace]{}{2==OMe}{e}}]% -{}{1==(yl)}% -}{6B==HO;9A==H;{10}B==\null;1D==\null}[a] -\end{center} - - -\begin{verbatim} -\nonaheterov({dA}{hB}){% -6s==\fourhetero[% -{d\sixfusev[bdf]{}{5==MeO}{b}}]% -{}{3==(yl)}% -}{3B==OH;8B==\null;7D==\null;9A==H}[g] -\end{verbatim} -\begin{center} -\nonaheterov({dA}{hB}){% -6s==\fourhetero[% -{d\sixfusev[bdf]{}{5==MeO}{b}}]% -{}{3==(yl)}% -}{3B==OH;8B==\null;7D==\null;9A==H}[g] - -\vspace*{1cm} -\end{center} - -A remarkable merit of using a skeleton with deleted bonds -appears in drawing a starting compound with an acyclic part -along with the resulting product via cyclization, -since their codes are akin to each other. -\begin{verbatim} -\decaheterov[{4+}% -{c\fivefusevi[e]{5==\null}{4D==O}{E}}% -]{4==N}{1D==\null;9B==H;{10}B==H}[ab] -\hskip2cm -\decaheterov[% -{c\fivefusevi{5==\null}{4D==O}{E}}% -]{4==N}{1B==OCHO;9B==H;{10}B==H;3FA==H} -\end{verbatim} -\begin{center} -\decaheterov[{4+}% -{c\fivefusevi[e]{5==\null}{4D==O}{E}}% -]{4==N}{1D==\null;9B==H;{10}B==H}[ab] -\hskip2cm -\decaheterov[% -{c\fivefusevi{5==\null}{4D==O}{E}}% -]{4==N}{1B==OCHO;9B==H;{10}B==H;3FA==H} - -\vspace*{1cm} -\end{center} -The latter compound was obtained by -the cyclization of the former -(D. J. Hart, et al., {\em J. Am. Chem. Soc.}, 1980, {\bf 102}, -397). - -Some polymethylene chains are drawn in a folded form. -The bond-deletion technique can be applied to -drawing such folded formulas. - -\begin{verbatim} -\sixheterov{% -3s==\fiveheterovi{1==O;4==O}{5==(yl)};% -6s==\dimethylenei{}{1D==\null;2==(yl)};% -5s==\trimethylenei{}{1W==EtO;1D==O;3==(yl)}% -}{}[e] -\end{verbatim} -\begin{center} -\sixheterov{% -3s==\fiveheterovi{1==O;4==O}{5==(yl)};% -6s==\dimethylenei{}{1D==\null;2==(yl)};% -5s==\trimethylenei{}{1W==EtO;1D==O;3==(yl)}% -}{}[e] -\end{center} - -The following formula, which is an intermediate for -synthesizing steroid skeletons, can also been -drawn by this technique. - -\begin{verbatim} -\decaheterov[k% -{f\fivefusevi{2==\null;5==O}{}{A}}% -{a\sixfusev[d% -{b\fivefusevi[d% -{a\sixfusev{% -3s==\trimethylenei[a]{}{1==(yl);2==\null}% -}{6==\null}{D}[c]}% -]{}{}{D}}% -]{}{3G==\null}{D}[c]}% -]{5==O}{{10}Sb==\null;2G==\null}[ej] -\end{verbatim} -\begin{center} -\vspace*{2cm} -\decaheterov[k% -{f\fivefusevi{2==\null;5==O}{}{A}}% -{a\sixfusev[d% -{b\fivefusevi[d% -{a\sixfusev{% -3s==\trimethylenei[a]{}{1==(yl);2==\null}% -}{6==\null}{D}[c]}% -]{}{}{D}}% -]{}{3G==\null}{D}[c]}% -]{5==O}{{10}Sb==\null;2G==\null}[ej] -\end{center} - - -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\chapter{Enhanced Functions of Commands for Ring Fusion} - -\section{Expanded Format} - -Commands for ring fusion, e.g. \verb/\sixfusev/, have originally -taken a comman format (version 1.02 not released): -\begin{verbatim} -\fuseCOM[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE} -\end{verbatim} -where \verb/\fuseCOM/ represents a command name such as -\verb/\sixfusev/. In \XyMTeX{} version 2.00, -we add a top optional argument SKBONDLIST -to treat stereochemical information as well as -an end optional argument OMIT to treat a bond-deleted skeleton. -Thus, the expanded format of each command for general use -is represented by -\begin{verbatim} -\fuseCOM(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT] -\end{verbatim} -The argument SKBONDLIST contains pairs of two alphabets in braces, -where (1) each pair consists of a bond specifier (a lowercase letter) -and an uppercase letter (A or B); and (2) the letter A represents -an $\alpha$ (downward) bond, -while B represents a $\beta$ (upward) bond. -The argument OMIT is a list of bond specifiers, each of -which designates a bond to be deleted. As a matter of course, -SKBONDLIST takes no common bond specifiers with FUSE and OMIT. - -\section{Boldfaced and Dotted Bonds} - -The first example shows that the command -\verb/\fivefusev/ with a SKBONDLIST -generates a formula with dotted bonds at fused positions. -\begin{verbatim} -\nonaheterov[% -{e\fivefusev({bA}{eA}){5==O}{3B==\null;4D==O}{A}}% -]{1==N}{1==COOMe;8A==H;9B==H;% -6B==\trimethylene[a]{}{3==(yl)};% -7A==\dimethylene{}{2==(yl);1==OH}} -\end{verbatim} -\begin{center} -\vspace*{1cm} -\nonaheterov[% -{e\fivefusev({bA}{eA}){5==O}{3B==\null;4D==O}{A}}% -]{1==N}{1==COOMe;8A==H;9B==H;% -6B==\trimethylene[a]{}{3==(yl)};% -7A==\dimethylene{}{2==(yl);1==OH}} - -\vspace*{1cm} -\end{center} - -The next example shows the use of the SKBONDLISTS of -\verb/\threefuseh/ and \verb/\fivefusevi/ -to indicate stereochemical information. -\begin{verbatim} -\sixheterov[% -{b\threefuseh({aA}{cA}){1==O}{}{B}}% -{d\fivefusevi({bB}{eB}){3==N;5==O}{3==BOM;4D==O}{A}}% -]{1==O}{6A==PMPO-CH$_{2}$} -\end{verbatim} -\begin{center} -\sixheterov[% -{b\threefuseh({aA}{cA}){1==O}{}{B}}% -{d\fivefusevi({bB}{eB}){3==N;5==O}{3==BOM;4D==O}{A}}% -]{1==O}{6A==PMPO-CH$_{2}$} -\end{center} - -\section{Bond Deletion} -\subsection{Larger Rings from Two or More Three-Membered Rings} -To draw a fused four-membered ring, we can -use two \verb/\threefuseh(i)/ commands in a nested fashion. -Four example, the code -\begin{verbatim} -\threefusehi[{b\threefuseh{1==O}{}{b}}]{}{}{c}[b]% -\end{verbatim} -generates a four-membered unit: -\begin{center} -\threefusehi[{b\threefuseh{1==O}{}{b}}]{}{}{c}[b]% - -\vspace*{1cm} -\end{center} -The resulting unit is used to draw a four-membered -fused ring, as shown below: -\begin{verbatim} -\sixheterov[% -{c\threefusehi[{b\threefuseh{1==O}{}{b}}% -]{}{}{c}[b]}% -]{}{} -\end{verbatim} -\begin{center} -\sixheterov[% -{c\threefusehi[{b\threefuseh{1==O}{}{b}}% -]{}{}{c}[b]}% -]{}{} -\end{center} - -In a similar way, -a five-membered fusing usit can be drawn -by combining three \verb/\threefuseh(i)/ commands, -as shown in the following example: -\begin{verbatim} -\decaheterov[% -{d\threefuseh[% -{a\threefusehi[% -{a\threefuseh{1==\null;3==\null}{2D==O}{c}}% -]{2==O;1==\null}{}{c}[a]}% -]{2==O}{}{C}[a]}% -]{}{} -\end{verbatim} -\begin{center} -\decaheterov[% -{d\threefuseh[% -{a\threefusehi[% -{a\threefuseh{1==\null;3==\null}{2D==O}{c}}% -]{2==O;1==\null}{}{c}[a]}% -]{2==O}{}{C}[a]}% -]{}{} - -\vspace*{1cm} -\end{center} - -\subsection{Further Rings} - -A six-membered ring fused by a four-membered unit -gives an eight-membered ring as follows: -\begin{verbatim} -\sixheterov[{b\fourfuse{}{}{d}}]{}{}[b] -\end{verbatim} -\begin{center} -\sixheterov[{b\fourfuse{}{}{d}}]{}{}[b] -\end{center} -The bond `b' of the four-membered unit in -the resulting ring is deleted and used -as an acceptor ring of a six-membered fusing -unit. Then, we have a twelve-membered ring: -\begin{verbatim} -\sixheterov[{b\fourfuse[{b\sixfusev{}{}{e}}]{}{}{d}[b]}]{}{}[b] -\end{verbatim} -\begin{center} -\sixheterov[{b\fourfuse[{b\sixfusev{}{}{e}}]{}{}{d}[b]}]{}{}[b] -\end{center} -After applying the bond-deletion technique to the -twelve-membered ring, this is used as an acceptor of -a five-membered fusing unit. Then we have a -fifteen-membered ring: -\begin{verbatim} -\sixheterov[{b\fourfuse[{b\sixfusev[% -{b\fivefusev{}{}{d}}% -]{}{}{e}[b]}]{}{}{d}[b]}]{}{}[b] -\end{verbatim} -\begin{center} -\sixheterov[{b\fourfuse[{b\sixfusev[% -{b\fivefusev{}{}{d}}% -]{}{}{e}[b]}]{}{}{d}[b]}]{}{}[b] -\end{center} -A further fusion of a six-membered unit gives -a ninteen-membered ring: -\begin{verbatim} -\sixheterov[{b\fourfuse[{b\sixfusev[% -{b\fivefusev[% -{a\sixfusev{}{}{f}}% -]{}{}{d}[a]}% -]{}{}{e}[b]}]{}{}{d}[b]}]{}{}[b] -\end{verbatim} -\begin{center} -\sixheterov[{b\fourfuse[{b\sixfusev[% -{b\fivefusev[% -{a\sixfusev{}{}{f}}% -]{}{}{d}[a]}% -]{}{}{e}[b]}]{}{}{d}[b]}]{}{}[b] -\end{center} - -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% - -\chapter{Reaction Schemes} -\section{Compound Numbers} - -\begingroup -%%%%%%%%%%%%%%% -\makeatletter -\def\DeclareMathVersion#1{} -\def\SetSymbolFont#1#2#3#4#5#6{} -\@@input chemist.sty -\makeatother -%%%%%%%%%%%%%%% - -The XyMcompd environment has two functions: -\begin{enumerate} -\itemsep=0pt \parskip=0pt -\item for giving a compound number and specifying a reference key and -\item for specifyin the size of a domain to draw a structural formula. -\end{enumerate} -For example, the code: -\begin{verbatim} -\begin{XyMcompd}(400,750)(220,200){cPhCL}{} -\bzdrv{1==Cl} -\end{XyMcompd} -\end{verbatim} -produces the following formula, -\begin{center} -\begin{XyMcompd}(400,750)(220,200){cPhCL}{} -\bzdrv{1==Cl} -\end{XyMcompd} -\end{center} -The compound number (\cref{cPhCL}) can be referred to -by designating \verb/\cref{cPhCL}/. -The code \verb/(400,750)/ specifies the size of -the drawing domain and the code \verb/(220,200)/ represents -x- and y-shift values. -When the XyMcompd environment is -surrounded by a frame generated by the \verb/\fbox/ command, -we obtain the following diagram: -\begin{center} -\fbox{% -\begin{XyMcompd}(400,750)(220,200){c1PhCL}{} -\bzdrv{1==Cl} -\end{XyMcompd}} -\end{center} -The original \verb/\bzdrv/ command -has a domain to accomodate substituents as follows: -\begin{center} -\fbox{\bzdrv{1==Cl}} -\end{center} -If such adjustment and cross-reference are unnecessary, -we write the code: -\begin{verbatim} -\begin{XyMcompd}(,)(,){}{} -\sixheterov{1==S;4==S}{} -\end{XyMcompd} -\end{verbatim} -Thereby, we obtain the formula of the original -specification: -\begin{center} -\begin{XyMcompd}(,)(,){}{} -\sixheterov{1==S;4==S}{} -\end{XyMcompd} -\end{center} -which is the same formula generated by the code: -\begin{verbatim} -\sixheterov{1==S;4==S}{} -\end{verbatim} -The last argument of the XyMcompd environment is -to specify the subnumber of a compound number. -For example, the code: -\begin{verbatim} -\begin{XyMcompd}(400,750)(220,200){PhF}{a} -\bzdrv{1==F} -\end{XyMcompd} -\end{verbatim} -produces the following formula, -\begin{center} -\begin{XyMcompd}(400,750)(220,200){PhF}{a} -\bzdrv{1==F} -\end{XyMcompd} -\end{center} - -Derivatives of a compound -numbered in the XyMderiv environment -are designated by -subnumbering using a \verb/\derivlist/ command -in the XyMderiv environment. -For example, the code: -\begin{verbatim} -\begin{XyMderiv} -\begin{XyMcompd}(400,750)(220,200){PhX}{} -\bzdrv{1==X} -\end{XyMcompd} -\derivlist{X = Cl;X = NO$_{2}$;X = F} -\end{XyMderiv} -\end{verbatim} -produces the following formula: -\begin{center} -\begin{XyMderiv} -\begin{XyMcompd}(400,750)(220,200){PhX}{} -\bzdrv{1==X} -\end{XyMcompd} -\derivlist{X = Cl;X = NO$_{2}$;X = F} -\end{XyMderiv} -\end{center} - -\section{Reaction Arrows} - -In addition of the reaction arrows described in -Ref.\ \cite{fujita2}, we have added -further reaction arrows shown in Fig.\ \ref{FFA1KKKR}. -They are defined in the package {\sf chemist.sty}. -Each arrow command is the following format: -\begin{verbatim} -\ARROWNAME[xshift]{yshift}{length}{itemover}{itemunder} -\end{verbatim} -where \verb/\ARROWNAME/ represents a command name; -\verb/xshift/ is an optional argument to show a -horizontal adjustment value; -\verb/yshift/ is an argument to show a vertical adjustment value; -\verb/length/ is an argument to desiginate the length of the arrow; -and the arguments -\verb/itemover/ and \verb/itemunder/ -represent items placed over and under the arrow. -The name (\verb/\ARROWNAME/) of each reaction arrow take the format of -\verb/\react/$\ldots$\verb/arrow/ in which $\ldots$ -is selected from the following list: -r = right arrow, l = left arrow, lr = leftright arrow, -d = down arrow, u = up arrow, du = down up arrow, -eq = equilibium arrow, veq = vertical equiliblium arrow, -deq = down equiliblium arrow, leq = up equilibium arrow, -dlr = down leftright arrow, ulr = up leftright arrow, -sw = southwest arrow, se = southeast arrow, -nw = northwest arrow, and ne = northeast arrow. - -\begin{figure} -\begin{center} -\begin{center}\begin{tabular}{ccccccccc} -(r) & -\hskip0\unitlength -\reactrarrow{0\unitlength}{400\unitlength} -{\strut{}HCl\\}{\strut{}H\mbox{$_{2}$}O\\}&(l) & -\hskip0\unitlength -\reactlarrow{0\unitlength}{400\unitlength} -{\strut{}HCl\\}{\strut{}H\mbox{$_{2}$}O\\}&(d) & -\hskip0\unitlength -\reactdarrow{0\unitlength}{400\unitlength} -{\strut{}HCl\\}{\strut{}H\mbox{$_{2}$}O\\}&(u) & -\hskip0\unitlength -\reactuarrow{0\unitlength}{400\unitlength} -{\strut{}HCl\\}{\strut{}H\mbox{$_{2}$}O\\}&\\(sw) & -\hskip0\unitlength -\reactswarrow{0\unitlength}{400\unitlength} -{\strut{}HCl\\}{\strut{}H\mbox{$_{2}$}O\\}&(se)& -\hskip0\unitlength -\reactsearrow{0\unitlength}{400\unitlength} -{\strut{}HCl\\}{\strut{}H\mbox{$_{2}$}O\\}&(nw) & -\hskip0\unitlength -\reactnwarrow{0\unitlength}{400\unitlength} -{\strut{}HCl\\}{\strut{}H\mbox{$_{2}$}O\\}&(ne) & -\hskip0\unitlength -\reactnearrow{0\unitlength}{400\unitlength} -{\strut{}HCl\\}{\strut{}H\mbox{$_{2}$}O\\}&\\(du)& -\hskip0\unitlength -\reactduarrow{0\unitlength}{400\unitlength} -{\strut{}HCl\\}{\strut{}H\mbox{$_{2}$}O\\}&(lr) & -\hskip0\unitlength -\reactlrarrow{0\unitlength}{400\unitlength} -{\strut{}HCl\\}{\strut{}H\mbox{$_{2}$}O\\}&(ulr)& -\hskip0\unitlength -\reactulrarrow{0\unitlength}{400\unitlength} -{\strut{}HCl\\}{\strut{}H\mbox{$_{2}$}O\\}&(dlr)& -\hskip0\unitlength -\reactdlrarrow{0\unitlength}{400\unitlength} -{\strut{}HCl\\}{\strut{}H\mbox{$_{2}$}O\\}&\\(eq) & -\hskip0\unitlength -\reacteqarrow{0\unitlength}{400\unitlength} -{\strut{}HCl\\}{\strut{}H\mbox{$_{2}$}O\\}&(ueq) & -\hskip0\unitlength -\reactueqarrow{0\unitlength}{400\unitlength} -{\strut{}HCl\\}{\strut{}H\mbox{$_{2}$}O\\}&(deq)& -\hskip0\unitlength -\reactdeqarrow{0\unitlength}{400\unitlength} -{\strut{}HCl\\}{\strut{}H\mbox{$_{2}$}O\\}&(veq) & -\hskip0\unitlength -\reactveqarrow{0\unitlength}{400\unitlength} -{\strut{}HCl\\}{\strut{}H\mbox{$_{2}$}O\\}&\\\end{tabular}\end{center}\end{center} -\def\tblref{FFA1KKKR} -\caption{Reaction arrows of various types} -\label{\expandafter\tblref} -\end{figure} - -\section{Display Formulas and Tabular Schemes} - -Display formulas containing structural formulas and -reaction arrows are -drawn by using the equation environment of \LaTeX{} or -the chemeqn environment of the {\sf chemist} package. -For example, the code, -\begin{verbatim} -\begin{equation}\label{EQ1} -\begin{XyMcompd}(400,750)(220,200){BPHOH}{} -\bzdrv{1==OH} -\end{XyMcompd} -\reactrarrow[10\unitlength]{60\unitlength}{500\unitlength} -{CH\mbox{$_{3}$}OH\\}{HCl\\} -\begin{XyMcompd}(400,750)(220,200){PHOME}{} -\bzdrv{1==OCH\mbox{$_{3}$}} -\end{XyMcompd} -\end{equation} -\end{verbatim} -produces the following display formula: -\begin{equation}\label{EQ1} -\begin{XyMcompd}(400,750)(220,200){AAPHOH}{} -\bzdrv{1==OH} -\end{XyMcompd} -\reactrarrow[10\unitlength]{60\unitlength}{500\unitlength} -{CH\mbox{$_{3}$}OH\\}{HCl\\} -\begin{XyMcompd}(400,750)(220,200){PHOME}{} -\bzdrv{1==OCH\mbox{$_{3}$}} -\end{XyMcompd} -\end{equation} - -Tabular schemes containing structural formulas and -reaction arrows are drawn by using -the XyMtab environment of the {\sf chemist} package. -For example, the code, -\begin{verbatim} -\begin{XyMtab}{cccccc} -\begin{XyMcompd}(400,750)(220,200){AAPHCL}{} -\bzdrv{{1}==Cl;} -\end{XyMcompd} -& -\reactrarrow[10\unitlength]{60\unitlength}{600\unitlength} -{\strut{}H\mbox{$_{2}$}O\\}{\strut{}High press.\\}& -% -\begin{XyMcompd}(400,750)(220,200){AAPHOH}{} -\bzdrv{{1}==OH;} -\end{XyMcompd} -& -\reactrarrow[10\unitlength]{60\unitlength}{500\unitlength} -{\strut{}CH\mbox{$_{3}$}I\\}{\strut{}NaOH\\}& -% -\begin{XyMcompd}(400,750)(220,200){AAPHOME}{} -\bzdrv{{1}==OCH\mbox{$_{3}$};} -\end{XyMcompd} -% -&\\&&& -\reactswarrow[0\unitlength]{300\unitlength}{400\unitlength} -{\strut{}HNO\mbox{$_{3}$}\\}{\strut{}}& -% -\begin{XyMcompd}(400,850)(220,0){APHNO2}{} -\bzdrv{{1}==OH;{4}==NO\mbox{$_{2}$};} -\end{XyMcompd} -&\\ -\end{XyMtab} -\end{verbatim} -generates a tabular scheme as follows: -\begin{XyMtab}{cccccc} -\begin{XyMcompd}(400,750)(220,200){AAPHCL}{} -\bzdrv{{1}==Cl;} -\end{XyMcompd} -& -\reactrarrow[10\unitlength]{60\unitlength}{600\unitlength} -{\strut{}H\mbox{$_{2}$}O\\}{\strut{}High press.\\}& -% -\begin{XyMcompd}(400,750)(220,200){AAPHOH}{} -\bzdrv{{1}==OH;} -\end{XyMcompd} -& -\reactrarrow[10\unitlength]{60\unitlength}{500\unitlength} -{\strut{}CH\mbox{$_{3}$}I\\}{\strut{}NaOH\\}& -% -\begin{XyMcompd}(400,750)(220,200){AAPHOME}{} -\bzdrv{{1}==OCH\mbox{$_{3}$};} -\end{XyMcompd} -% -&\\&&& -\reactswarrow[0\unitlength]{300\unitlength}{400\unitlength} -{\strut{}HNO\mbox{$_{3}$}\\}{\strut{}}& -% -\begin{XyMcompd}(400,850)(220,0){APHNO2}{} -\bzdrv{{1}==OH;{4}==NO\mbox{$_{2}$};} -\end{XyMcompd} -&\\ -\end{XyMtab} - - -\endgroup - - - - -\begin{thebibliography}{99} - -\bibitem{fujita2a} NIFTY-Serve achives, -FPRINT library No. 7, Item Nos. 201, 202, 204. -\bibitem{fujita2b} CTAN, -tex-archive/macros/latex209/contrib/xymtex/. -\bibitem{fujita1} Fujita S., ``Typesetting structural formulas with -the text formatter \TeX{}/\LaTeX{}'', -{\em Comput. Chem.}, {\bf 18}, 109 (1994). -\bibitem{fujita1a} Fujita S., ``\XyMTeX{} for Drawing Chemical -Structural Formulas'', -{\em TUGboat}, {\bf 16} (1), 80 (1995). -\bibitem{lamport2} -Lamport L., {\em \LaTeX{}. A document Preparation System}, -2nd ed. for \LaTeXe{}, Addison-Wesley, Reading (1994). -See also -Lamport L., {\em \LaTeX{}. A document Preparation System}, -Addison-Wesley, Reading (1986). -\bibitem{goossens} -Goossens, M., Mittelbach, F., \& Samarin, A., -{\em The \LaTeX{} Companion}, -Addison-Wesley, Reading (1994). -\bibitem{fujita2c} NIFTY-Serve achives, -FPRINT library No. 7, Item Nos. 385, 386. -\bibitem{fujita2d} -http://www.chem.kit.ac.jp/fujita/fujitas/fujita.html -\bibitem{XyMTeXbook} -Fujita, S., {\em \XyMTeX{}---Typesetting Chemical Structural -Formulas}, Addison-Wesley, Tokyo (1997). -The book title is abbreviated as ``\XyMTeX book'' in -the present manual. -\bibitem{knuth} -For the \TeX{} system, see - Knuth D. E., {\em The \TeX{}book}, -Addison-Wesley, Reading (1984). -\bibitem{haas} -For the Chem\TeX{} macros, see - Haas R. T. \& O'Kane K. C., {\em Comput. Chem.}, {\bf 11}, 251 (1987). -\bibitem{ramek} -For drawing chemical formulas by \TeX{}, see -Ramek, M., in Clark, M. (ed), \TeX: Applications, Uses, Methods, -Ellis Horwood, London (1990), p. 277. -\bibitem{fujita2} -For chemical application of the \LaTeX{} system, see -Fujita S., {\em Kagakusha-Seikagakusha no tame no -\LaTeX{} (\LaTeX{} for Chemists and Biochemists)}, -Tokyo Kagaku Dozin, Tokyo (1993). -\bibitem{podar} -For epic macros, see -Podar S., ``Enhancements to the picture environment -of \LaTeX{}'', Manual for Version 1.2 dated July 14, 1986. -\bibitem{graphic} -For graphic applications of \TeX{}, \LaTeX{} and relevant systems, -see Goossens, M., Rahtz, S., \& Mittelbach, F., -{\em \LaTeX{} Graphics Companion}, -Addison Wesley Longman, Reading (1997). -\end{thebibliography} - -\endinput - -\begin{verbatim} -\end{verbatim} -\begin{center} -\end{center} - - \ No newline at end of file diff --git a/Master/texmf-dist/doc/latex/xymtex/xymman.sty b/Master/texmf-dist/doc/latex/xymtex/xymman.sty deleted file mode 100644 index efe164c419e..00000000000 --- a/Master/texmf-dist/doc/latex/xymtex/xymman.sty +++ /dev/null @@ -1,63 +0,0 @@ -% xymman.sty 23-Nov-93 Shinsaku Fujita -% For XyMTeX document -% Copyright (C) 1993 by Shinsaku Fujita, all rights reserved. -% This style file is created for submitting a manuscript to -% Journal of the American Chemical Society. -% This style file is to be contained in the ``chemist'' directory -% which is an input directory for TeX. -% Copying of this file is authorized only if either -% (1) you make absolutely no changes to your copy, including name and -% directory name -% (2) if you do make changes, -% (a) you name it something other than the names included in the -% ``chemist'' directory and -% (b) you acknowledge the original name. -% This restriction ensures that all standard styles are identical. -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\def\j@urnalname{xymman} -\def\versi@ndate{November 24, 1993} -\def\versi@nno{ver1.00} -\def\copyrighth@lder{SF} % Shinsaku Fujita -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\typeout{Option Style `\j@urnalname' (\versi@nno) <\versi@ndate>\space -[\copyrighth@lder]} -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\textwidth=16cm -\textheight=22cm -\topmargin-.3in -\oddsidemargin=-0.1cm -\evensidemargin=-0.1cm -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\def\markleft#1{{\let\protect\noexpand - \let\label\relax \let\index\relax - \expandafter\@markleft\@themark - {#1}\mark{\@themark}}% - \if@nobreak\ifvmode\nobreak\fi\fi} -\def\@markleft#1#2#3{\gdef\@themark{{#3}{#2}}} -\def\LEFTmark{\expandafter\@leftmark\botmark} -% -\def\ps@headings{\let\@mkboth\markboth -\def\@oddfoot{}\def\@evenfoot{} -\def\@evenhead{\underline{% -\hbox to\textwidth{\rm \thepage\hfil \sl\LEFTmark}}}% -\def\@oddhead{\underline{\hbox to\textwidth{% -\vphantom{\TeX}\sl\rightmark\hfil\rm\thepage}}}% -\def\chaptermark##1{\markboth {FUJITA S.: \protect\XyMTeX{}}% -{\uppercase{\ifnum \c@secnumdepth>\m@ne% - \@chapapp\ \thechapter. \ \fi ##1}}}% -\def\sectionmark##1{\markleft{FUJITA Shinsaku: \protect\XyMTeX{}}}} -\ps@headings -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\@ifundefined{XyMTeX}{\def\UPSILON{\char'7}% -\def\XyM{X\kern-.30em\smash{\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}}% -\def\XyMTeX{\XyM\kern-.1em\TeX}}{}% -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\newenvironment{xymspec}{\begin{center}\begingroup\origpttrue}% -{\endgroup\end{center}} -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\@ifundefined{shiftii}{% -\newcount\shiftii -\newcount\shifti -\newcount\noshift -\noshift=0 \shiftii=400 \shifti=240\relax}{} - \ No newline at end of file diff --git a/Master/texmf-dist/doc/latex/xymtex/xymtex2.doc b/Master/texmf-dist/doc/latex/xymtex/xymtex2.doc deleted file mode 100644 index 91a2b797172..00000000000 --- a/Master/texmf-dist/doc/latex/xymtex/xymtex2.doc +++ /dev/null @@ -1,94 +0,0 @@ -xymtex2.doc -On-line document for XyMTeX in English -Copyright (C) 1993, 1996, 1998 by Shinsak Fujita. All rights reserved. -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -renamed and revised: xymtex1.doc -Copyright (C) 1993, 1996 by Shinsak Fujita. All rights reserved. -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -`XyMTeX' is a macro package for drawing chemical structural formulas. - -(1) Setting up - - This package has been frozen with LHA. Let the frozen package - (xymtex2.lzh) be placed in the b: directory. To melt the frozen package - in the a:\tex directory, please input the following statement in the - command line of your display. - - a:\tex>lha x b:\xymtex2 - - Thereby, the directory <\xymtex> is automatically created as the - subdirectory of the a:\tex directory; and the following hierarchy of - directories and files is generated. - - a---\tex---\xymtex --- hetaromh.sty, hetarom.sty, ccycle.sty, - | | | chemstr.sty, carom.sty, lowcycl.sty, aliphat.sty, - | hcycle.sty, locant.sty, polymers.sty, chemist.sty - | methylen.sty, fusering.sty - | - | (dtx files) - | - |--\drvdvi---drv files, dvi files - | - |--\doc200--- xymtx200.tex, xymtx200.dvi, - | xymyl.tex, xymadd.tex - | (other files for the document preparation) - | - |---xymtex2.doc (this document) - | - |---xymtex2.jpn (on-line document in Japanes) - | - |---readme2.doc (notes in English) - | - |---readme2.jpn (notes in Japanese) - - The package (sty) files in the \xymtex directory contains the macro - codes of XymTeX commands. The specification of XyMTeX commands and - examples of using these commands are included in the xymtex.dvi file of - the \doc directory. - - The xymtx200.dvi file is a dvi file that is a manual for utilizing - XyMTeX (about 100 pages). The processed dvi file can be obtained in the same - directory of this distribution. It can be printed with an appropriate - printer driver (lips3dvi, dviprt, or others) and can be displayed with an - appropriate previewer (dviout, etc.). - - The xymtx200.tex is the main file of the manuscript for creating the - xymtx200.dvi. The other tex files in the \doc200 directory are input files - which are read by the main file. - -(2) Designating a serach path - - In order to set a search path for using XyMTeX, please add the directory - name to the TEXINPUTS line in \texmf.cnf, which is stored in the - \tex\texmf\web2c directory (for a standard distribution of LaTeX2e). - For example, you add - - platex2e_inputs = .;$TEXMF/tex/platex2e//;$TEXMF/tex/latex2e//; - $TEXMF/tex//;a:/tex/inputs//; - a:/tex/chem//;a:/tex/xymtex//;a:/tex/opsty// - ~~~~~~~~~~~~~~~ <---- to be added - -(3) Writing your manuscript - - Each command of XyMTeX can be used if you add the name of the - corresponding style file to the option list at the top of your - manuscript file, e.g. - - \documentclass{article} - \usepackage{epic,hetarom,hetaromh} - ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - where the underlined names are XyMTeX package files containing your - requisite commands. If all of the XyMTeX commands are required, - the short-cut declaration - - \documentclass{article} - \usepackage{xymtex} - - can be used for simplicity. - -(4) Running LaTeX2e or pLaTeX2e - - You should use XyMTeX commands within LaTeX. - -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%(END) - \ No newline at end of file diff --git a/Master/texmf-dist/doc/latex/xymtex/xymtx200.dvi b/Master/texmf-dist/doc/latex/xymtex/xymtx200.dvi deleted file mode 100644 index c9b596e907e..00000000000 Binary files a/Master/texmf-dist/doc/latex/xymtex/xymtx200.dvi and /dev/null differ diff --git a/Master/texmf-dist/doc/latex/xymtex/xymtx200.tex b/Master/texmf-dist/doc/latex/xymtex/xymtx200.tex deleted file mode 100644 index fd7de31385c..00000000000 --- a/Master/texmf-dist/doc/latex/xymtex/xymtx200.tex +++ /dev/null @@ -1,56 +0,0 @@ -%xymtx200.tex -%Copyright (C) 1998, Shinsaku Fujita, All rights reserved. -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -%This file is a part of xymtx200.tex that is the manual of the macro -%package `XyMTeX' for drawing chemical structural formulas. -%This file is not permitted to be translated into Japanese and any other -%languages. -\typeout{``xymtx200.tex''--- -This file is a part of xymtex.tex that is the manual of the macro % -package `XyMTeX'. 1998/12/25 S. Fujita} -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\documentclass{book} -%\usepackage{xymtex} -\usepackage{carom} -\usepackage{hetaromh} -\usepackage{aliphat} -\usepackage{hcycle} -\usepackage{fusering} -\usepackage{methylen} -\usepackage{locant} -\usepackage{lowcycle} -\usepackage{epic} -\usepackage{xymman} -% -\begin{document} -\mbox{} -\thispagestyle{empty} -\vfill -\begin{center} -{\LARGE\bfseries \protect\XyMTeX{} for -Typesetting Chemical Structural Formulas. -Enhanced Functions for Version 2.00} - -\vspace*{2cm} -{\Large\bfseries Shinsaku Fujita} - -\vspace*{1cm} -Department of Chemistry and Materials Technology, \\ -Kyoto Institute of Technology, \\ -Matsugasaki, Sakyoku, Kyoto, 606 Japan -\par\vspace*{1cm} -December 25, 1998 (Version 2.00) \\ -(revised March 20, 1999) -\end{center} -\vfill\mbox{} -% -\newpage -\tableofcontents -% -\input{xymyl} -\input{xymadd} - -\end{document} - - - \ No newline at end of file diff --git a/Master/texmf-dist/doc/latex/xymtex/xymyl.tex b/Master/texmf-dist/doc/latex/xymtex/xymyl.tex deleted file mode 100644 index daae2314c7d..00000000000 --- a/Master/texmf-dist/doc/latex/xymtex/xymyl.tex +++ /dev/null @@ -1,2900 +0,0 @@ -%xymyl.tex -%Copyright (C) 1998, Shinsaku Fujita, All rights reserved. -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -%This file is a part of xymtx200.tex that is the manual of the macro -%package `XyMTeX' (version 2.00) for drawing chemical structural formulas. -%This file is not permitted to be translated into Japanese and any other -%languages. -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\chapter{Introduction} - -\section{History} -\subsection{Version 1.00 (1993)} - -The first version of the \XyMTeX{} system (version 1.00, 1993) -with a detailed on-line manual -has been depositted to NIFTY-Serve archives (FPRINT library No.\ 7) -by the author\cite{fujita2a} and to the CTAN by volunteers\cite{fujita2b}. -The articles on the construction and usage of \XyMTeX{} have appeared in -Ref. \cite{fujita1,fujita1a}. -Although the packages (style files) of the \XyMTeX{} system have -originally aimed at using under -the \LaTeX{}2.09 system, they also work effectively -under the \LaTeXe{} system \cite{lamport2,goossens} without any changes. Thus, -what you have to do is to rewrite a top statement for \LaTeX{}2.09 such as -\begin{verbatim} -\documentstyle[epic,carom,hetarom]{article} -\end{verbatim} -into the counterpart for \LaTeXe{}, {\em e.g.}, -\begin{verbatim} -\documentclass{article} -\usepackage{epic,carom,hetarom} -\end{verbatim} - -\subsection{Version 1.01 (1996)} - -The Version 1.01 of the \XyMTeX{} system has been released in 1996, -when the system with a detailed on-line manual -was depositted to NIFTY-Serve archives (FPRINT library No.\ 7) -by the author \cite{fujita2c}. The system is now available -from Fujita's homepage \cite{fujita2d} via internet -or from a CD-ROM that is attached to the referece manual published -in 1997 \cite{XyMTeXbook}.\footnote{% -The basic items described in the \XyMTeX book are -common and applied also in Version 2.00. -Please refer to the \XyMTeX book, when -they are used without explanations in this manual.} - -The purpose of version 1.01 is -the updating of \XyMTeX{} to meet the \LaTeXe{} way of -preparing packages (option style files). -The following items have -been revised or added for encouraging the \XyMTeX{} users -to write articles of chemical fields. - -\begin{enumerate} -\item Each of the old sty files of \XyMTeX{} has been rewritten -into a dtx file, from which we have prepared a new sty file by using -the {\sf docstrip} utility of \LaTeXe. -If you want to obtain the document of each source -file, you may apply \LaTeXe{} to the corresponding drv file, which -has also been prepared from the dtx file by using the {\sf docstrip} -utility. -\item Macros for drawing chair-form cyclohexanes and -for drawing adamantanes of an alternative type have been added. -\item Macros for drawing polymers have been added. -\item The package {\sf chemist.sty}, which was originally -prepared for \cite{fujita2}, has been rewritten into a dtx file and -added to \XyMTeX{} as a new component. This package enables us -to use various functions such as - \begin{enumerate} - \item the numbering and cross-reference - of chemical compounds and derivatives, - \item various arrows of fixed and flexible length for chemical equations, - \item `chem' version and chemical environments for describing - chemical equations, and - \item various box-preparing macros for chemical or general use. - \end{enumerate} -\end{enumerate} - -\subsection{Version 1.02 (1998, not released)} - -The Version 1.02 of \XyMTeX{} has been devoted to the -development of the nested-substitution method, -which simplifies the coding of \XyMTeX{} commands. -In \XyMTeX{} version 1.01, each subsitituent is assumed to be rather small -so that it can be specified by means of a substitution list ``SUBSLIST''. -For example, 1-fluorobenzene, -\begin{center} -\bzdrh{4==F} -\end{center} -is drawn by the following code: -\begin{verbatim} -\bzdrh{4==F} -\end{verbatim} -To draw a substituent with a complicated structure, -a designation of the same line produces an insufficient result. -Thus, if we simply write the code -\begin{verbatim} -\bzdrh{4==\bzdrh{}} -\end{verbatim} -to draw a biphenyl structure, -we have a separate structure as follows: - -\vskip1.5\baselineskip -\begin{center} -\bzdrh{4==\bzdrh{}} -\end{center} - -Within the scope of \XyMTeX version 1.01, -such a substituent with a complicated structure -can be treated by three distinct methods -(see Chapters 14 and 15 of \XyMTeX book). - -\begin{enumerate} -\item(Method I) -When we write a code \verb/\bzdrh{4==}\bzdrh{}/ -to draw a biphenyl structure, -we obtain an insufficient result such as -\begin{center} -\bzdrh{4==}\bzdrh{} -\end{center} -since each command has an area to draw its target sturucture. -To remedy this situation, we can write -\begin{verbatim} -\bzdrh{4==}\kern-33pt\bzdrh{} -\end{verbatim} -Then, we obtain the following structure: -\begin{center} -\bzdrh{4==}\kern-33pt\bzdrh{} -\end{center} -However, a more complicated adjustment is -necessary to apply this method to a case in which -the components of a structual formula are not linearly aligned. -\item (Method II) -We can carry out the same task by using -the \LaTeX{} picture einvironment. -The code -\begin{verbatim} -\begin{picture}(1400,700)(0,0) -\put(0,0){\bzdrh{4==}} -\put(546,0){\bzdrh{}} -\end{picture} -\end{verbatim} -produces the following structure: -\begin{center} -\begin{picture}(1400,700)(0,0) -\put(0,0){\bzdrh{4==}} -\put(546,0){\bzdrh{}} -\end{picture} -\end{center} -This method realizes such a complicated adustment as mentioned above, -since the \verb/\put/ is capable of putting components at arbitrary positions. -\item (Method III) -In a further method of drawing the biphenyl structure, -one phenyl group is regarded as a substituent of the other phenyl. -These two parts can be combined by writing a code, -\begin{verbatim} -\bzdrh{4==\kern-25pt\lower37pt\hbox to0pt{\bzdrh{}}} -\end{verbatim} -in which the commands \verb/\kern/ (for horizontal adjustment) and -\verb/\lower/ (for vertical adjustment) are used to adjust the -substitution site. Thereby, we have -\begin{center} -\bzdrh{4==\kern-25pt\lower37pt\hbox to0pt{\bzdrh{}}} -\end{center} -This method has a disadvantage of calculating -adjustment values manually for every formula to be drawn. -\end{enumerate} - -These three methods are useful for drawing complicated structure. -However, they have an essential disadvantage: their codes give -no, or at most partial, connectivity data between parts to be combined, though -such parts appear to be combined as a picture. -For example, the code -\begin{verbatim} -\bzdrh{4==\kern-25pt\lower37pt\hbox to0pt{\bzdrh{3==Cl}}} -\end{verbatim} -producing -\begin{center} -\bzdrh{4==\kern-25pt\lower37pt\hbox to0pt{\bzdrh{3==Cl}}} -\end{center} -has no connectivity data at the meta position to the chlorine -atom of the scecond benzene ring. - -As clarified by the discussion in the preceding paragraphs, -the \XyMTeX{} system should have a function to place -substituents at appropriate sites without complex designation, -where connectivity data are maintained during the process -of drawing. -The target of \XyMTeX{} Version 1.02 is to treat nested -substitution with the automatic adjustment of subsitution sites -(named as the nested-substitution method). -Concretely speaking, for example, -such a code as -\begin{verbatim} -\bzdrh{1==F;4==\bzdrh{1==(yl);3==Cl}} -\end{verbatim} -directly produces -\begin{center} -\bzdrh{1==F;4==\bzdrh{1==(yl);3==Cl}} -\end{center} -where the code shows that the second benzene ring is -linked to the para position of the first benzene ring -at the meta position to the chlorine atom. -Thus the target accomplished by the ``yl''-function, -as shown in this code. - -\section{Version 2.00 (1998)} - -The ``yl''-function developed in \XyMTeX{} Version 1.02 -is regarded as a modification of SUSBLISTs. -As an extention of this mothodology, -BONDLISTs can be modified to treat ring fusion, -since each ring fusion is considered to be a kind of -substitution on a bond. In addition, -ATOMLIST can also be used to -treat spiro rings, since each spiro ring -is a kind of atom replacement at an appropriate vertex. - -To expand the scope of the \XyMTeX{} system, -we introduce several new functions as follows. -\begin{enumerate} -\item Several bond modifiers are added to draw -alternative up- and down-bonds as well as -to treat ring fusion. -\item The ``yl''-function for SUBSLISTs is further improved. -The commands \verb/\ryl/ and \verb/\lyl/ are -prepared to typeset intervening moieties. -\item Ring fusion is treated by adding a fusing unit to -the BONDLIST of each command. -\item Several fusing units (three- to six-membered units) -are developed (fusering.sty). -\item A new function for typesetting a spiro ring is -introduced in each command for general use. -A spiro ring is treated by ring-replacement technique, -where the corresponding code is -written in the ATOMLIST of each command. -\item Commands for typeseting zigzag polymethylenes are -developed (methylen.sty). -\item Commands for drawing six-six fused carbocycles -and heterocycles are added. -\item An optional argument SKBONDLIST is added to -each command of general use for drawing -boldfaced and dotted skeletal bonds. -\item An optional argument OMIT is added to -each command of general use for drawing related -skeletons by bond deletion. -\end{enumerate} - -The \XyMTeX{} system (version 2.00) consists of package files -listed in Table \ref{tt:200a1}. -The package file `\textsf{chemstr.sty}' is the basic file -that is automatically read within any other package file of \XyMTeX{}. -It contains macros for internal use, {\em e.g.}, -common commands for bond-setting and atom-setting. -The other package files contain macros for users. -These files are designed to work not only as packages for \LaTeXe -but also as option style files for \LaTeX{}2.09 (native mode). -\begin{table}[hpbt] -\caption{Package Files of \protect\XyMTeX{}} -\label{tt:200a1} -\begin{center} -\begin{tabular}{lp{10cm}} -\hline -package name & \multicolumn{1}{c}{included functions} \\ -\hline -\textsf{aliphat.sty} - & macros for drawing aliphatic compounds \\ -\textsf{carom.sty} - & macros for drawing vertical and horizontal types - of carbocyclic compounds \\ -\textsf{lowcycle.sty} - & macros for drawing five-or-less-membered carbocyles. \\ -\textsf{ccycle.sty} - & macros for drawing bicyclic compounds etc. \\ -\textsf{hetarom.sty} - & macros for drawing vertical types of heterocyclic compounds \\ -\textsf{hetaromh.sty} - & macros for drawing horizontal types of heterocyclic compounds \\ -\textsf{hcycle.sty} - & macros for drawing pyranose and furanose derivatives \\ -\textsf{chemstr.sty} - & basic commands for atom- and bond-typesetting \\ -\textsf{locant.sty} - & commands for printing locant numeres \\ -\textsf{polymers.sty} - & commands for drawing polymers \\ -\textsf{fusering.sty} - & commands for drawing units for ring fusion \\ -\textsf{methylen.sty} - & commands for drawing zigzag polymethylene chains \\ -\textsf{xymtex.sty} - & a package for calling all package files \\ -\textsf{chemist.sty} - & commands for using `chem' version and chemical environments \\ -\hline -\end{tabular} -\end{center} -\end{table} - -The use of \textsf{xymtex.sty} calling all package files -may sometimes cause the ``\TeX{} capacity exceeded'' error. -In this case, you should call necessary packages distinctly -by using the \verb/\usepackage/ command. - -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\chapter{Bond Modifiers Added} - -\section{Alternative Bond Modifiers for Up and Down Bonds} - -In addition to the original bond modifiers (see the \XyMTeX book), -the present version of \XyMTeX{} -provides us with several bond modifiers that can be used -in the argument SUBSLIST of each \XyMTeX{} command. -These modifiers are listed in Table \ref{tt:200a} -along with the original bond modifiers. - -\begin{table} -\caption{Locant numbering and bond modifiers for SUBSLIST} -\label{tt:200a} -\begin{center} -\begin{tabular}{lp{12cm}} -\hline -Bond Modifiers & \multicolumn{1}{c}{Printed structures} \\ -\hline -\multicolumn{2}{l}{\bfseries Original Bond Modifiers} \\ - $n$ or $n$S & exocyclic single bond at $n$-atom \\ - $n$D & exocyclic double bond at $n$-atom \\ - $n$A & alpha single bond at $n$-atom \\ - $n$B & beta single bond at $n$-atom \\ - $n$Sa & alpha (not specified) single bond at $n$-atom \\ - $n$Sb & beta (not specified) single bond at $n$-atom \\ - $n$SA & alpha single bond at $n$-atom (dotted line) \\ - $n$SB & beta single bond at $n$-atom (boldface) \\ -\hline -\multicolumn{2}{l}{\bfseries Bond Modifiers Added} \\ - $n$Sd & alpha single bond at $n$-atom (dotted line) - with an alternative direction to $n$SA \\ - $n$Su & beta single bond at $n$-atom (boldface) - with an alternative direction to $n$SB \\ - $n$FA & alpha single bond at $n$-atom (dotted line) - for ring fusion \\ - $n$FB & beta single bond at $n$-atom (boldface) - for ring fusion \\ - $n$GA & alpha single bond at $n$-atom (dotted line) - for the other ring fusion \\ - $n$GB & beta single bond at $n$-atom (boldface) - for the other ring fusion \\ -\hline -\end{tabular} -\end{center} -\end{table} - -The added bond modifiers, `Sd' (d for down) and `Su' (u for up), designate -$\alpha$- and $\beta$-bonds in such an exchanged -manner as the original bond modifiers, `SA' and `SB' designate. -Figure \ref{ff:200a} shows the comparison between -the added bond modifiers and the original ones -by using a cyclohexane skeleton (\verb/\cyclohexanev/). - -\begin{figure}[h] -\begin{center} -\cyclohexanev{1Sd==1Sd;1Su==1Su;% -2Sd==2Sd;2Su==2Su;3Sd==3Sd;3Su==3Su;% -4Sd==4Sd;4Su==4Su;5Sd==5Sd;5Su==5Su;% -6Sd==6Sd;6Su==6Su} \qquad\qquad -\cyclohexanev{1SA==1SA;1SB==1SB;% -2SA==2SA;2SB==2SB;3SA==3SA;3SB==3SB;% -4SA==4SA;4SB==4SB;5SA==5SA;5SB==5SB;% -6SA==6SA;6SB==6SB} -\caption{Bond Modifiers for $\alpha$- and $\beta$-Bonds} -\label{ff:200a} -\end{center} -\end{figure} - -\section{Bond Modifiers for Ring Fusion} - -In the present verstion (2.00), we have added a new function for ring fusion. -Since the function requires bond modifiers -for desiginating substitution at such fused positions, -we have added the modifiers, `FA', `FB', `GA', and `GB'. -These modifiers are illustrated in Figure \ref{ff:200b} - - -\begin{figure} -\begin{center} -\cyclohexanev{1FA==1FA;1GB==1GB;3FA==3FA;3GB==3GB;5FA==5FA;5GB==5GB} -\qquad\qquad -\cyclohexanev{1FB==1FB;1GA==1GA;3FB==3FB;3GA==3GS;5FB==5FB;5GA==5GA} - - -\cyclohexanev{2FA==2FA;2GB==2GB;4FA==4FA;4GB==4GB;6FA==6FA;6GB==6GB} -\qquad\qquad -\cyclohexanev{2FB==2FB;2GA==2GA;4FB==4FB;4GA==4GA;6FB==6FB;6GA==6GA} -\caption{Bond Modifiers for Ring Fusion} -\label{ff:200b} -\end{center} -\end{figure} - -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\chapter{Nested-Substituent Method} - -\section{Introduction} - -Chapter 14 (Combining Structures) -and Chapter 15 (Large Substituents) of the \XyMTeX book -have described several techniques to draw complicated formulas. -Among them, the nested-substituent method is most promising. -For example, the code -\begin{verbatim} -\bzdrh{1==Cl;4==\kern-25pt\lower37pt\hbox to0pt{\bzdrh{3==F}}} -\end{verbatim} -gives a combined structure, -\begin{center} -\bzdrh{1==Cl;4==\kern-25pt\lower37pt\hbox to0pt{\bzdrh{3==F}}} -\end{center} -Although the code shows the connectivity between the two phenyl -groups, the following disadvantages remain: -\begin{enumerate} -\item The code contains no data indicating that the connection site -is the meta-position concerning the fluorine atom. -\item The commands \verb/\kern/ (for horizontal adjustment) and -\verb/\lower/ (for vertical adjustment) are necessary to adjust the -subsitutution site. -\end{enumerate} - -As clarified by the above examples, the main target of \XyMTeX{} -Version 2.00 is to extend the nested-substituent method -so that it provides a function of indicating full connectivity data -as well as a function of -automatical adjustment without using such commands -as \verb/\kern/ and \verb/\lower/. - -\section{``yl''-Functions} - -In \XyMTeX{} Version 2.00, the ``yl''-function is -added so as to improve the nested-subsituent method. -Thereby, any structure drawn by a \XyMTeX{} -command (except a few special commands) -can be converted into the corresponding substituent -by adding the code \verb/(yl)/ with a locant number. -The resulting code for the substituent can be added -to the SUBSLIST of any other command for -drawing a mother skeleton, where the final code -contains the full connectivity data of the combined structure. -For example, the code -\begin{verbatim} -\bzdrh{1==Cl;4==\bzdrh{1==(yl);3==F}} -\end{verbatim} -typesets the following structure, -\begin{center} -\bzdrh{1==Cl;4==\bzdrh{1==(yl);3==F}} -\end{center} -Thus, fluorobenzene produced by the command \verb/\bzdrh{3==F}/ -is converted into a subsituent, i.e. 3-fluorophenyl, -by adding the code \verb/(yl)/, as shown in the -code, \verb/\bzdrh{1==(yl);3==F}/. Then, the resulting code -is added to the SUBSLIST of another command \verb/\bzdrh/. - -The connectivity at the meta-position is -represented by the statement \verb/1==(yl)/ of -the innner code \verb/\bzdrh{1==(yl);3==F}/. -Note that the inner code \verb/\bzdrh{1==(yl);3==F}/ produces -a substituent with no height and no width and that -the reference point of the substituent is shifted to -the point no.~1 by the (yl)-statement in order to -link to the mother structure (the phenyl group -produced by the code \verb/\bzdrh{1==Cl;4=={...}}/). - -The shift of a reference point becomes clear when -we examine a formula, -\begin{center} -\vspace*{2cm} -\bzdrh{1==Cl;3==\bzdrh{6==(yl);3==F}} -\end{center} -generated by the code, -\begin{verbatim} -\bzdrh{1==Cl;3==\bzdrh{6==(yl);3==F}} -\end{verbatim} -The original structure of the substituent with no ``yl'' function -is found to be -\begin{center} -\begin{picture}(700,800)(0,0) -\put(0,0){\bzdrh{3==F}} -\put(0,0){\circle*{50}} -\end{picture} -\end{center} -as generated by the code -\begin{verbatim} -\begin{picture}(700,800)(0,0) -\put(0,0){\bzdrh{3==F}} -\put(0,0){\circle*{50}} -\end{picture} -\end{verbatim} -where the solid circle is the reference point. -The picture shown above -indicates that the reference point -is different from any vertices of the benzene ring. -On the other hand, the code with a ``yl''-function, -\begin{verbatim} -\begin{picture}(700,800)(0,-200) -\put(0,0){\bzdrh{6==(yl);3==F}} -\put(0,0){\circle*{50}} -\end{picture} -\end{verbatim} -typesets the following structure, -\begin{center} -\begin{picture}(700,800)(0,-200) -\put(0,0){\bzdrh{6==(yl);3==F}} -\put(0,0){\circle*{50}} -\end{picture} -\end{center} -The picture shown above -indicates that the reference point is shifted to the position -no.~6 of the benzene ring. - -The code \verb/\bzdrh{1==(yl);3==F}/ producing the substituent -can be used in the argument of any structure-drawing command -of \XyMTeX{}. The following example is the one -in which it is placed in the argument of a command \verb/\bzdrv/. -Thus, the code -\begin{verbatim} -\bzdrv{1==Cl;3==\bzdrh{1==(yl);3==F}} -\end{verbatim} -typesets the following structure, -\begin{center} -\bzdrv{1==Cl;3==\bzdrh{1==(yl);3==F}} -\end{center} - -The structural formula of 1-chloro-4-morphorinobenzene -can be drawn in two different ways. The codes, -\begin{verbatim} -\bzdrh{1==Cl;4==\sixheteroh[]{1==N;4==O}{1==(yl)}} -\hskip 6cm -\sixheteroh[]{1==N;4==O}{1==\bzdrh{1==Cl;4==(yl)}} -\end{verbatim} -produce the following formulas: -\begin{center} -\bzdrh{1==Cl;4==\sixheteroh[]{1==N;4==O}{1==(yl)}} -\hskip 6cm -\sixheteroh[]{1==N;4==O}{1==\bzdrh{1==Cl;4==(yl)}} -\end{center} -In the former code, -the morphorino group is regareded as a substituent, -as the name ``1-chloro-4-morphori\-nobenzene'' indicates. -On the other hand, the chlorophenyl group -is considered to be a substituent in the latter code -so as to correspond to the name ``N-(4-chlorophenyl)morphorine''. - -The ``yl''-function is quite versatile, as indicated by the code, -\begin{verbatim} -\decaheterov[]{4a==N}{4D==O;7B==HO;{{10}A}==H;% -5==\bzdrv{3==OMe;4==OMe;6==Br;1==(yl)}} -\end{verbatim} -producing the following structure: -\begin{center} -\decaheterov[]{4a==N}{4D==O;7B==HO;{{10}A}==H;% -5==\bzdrv{3==OMe;4==OMe;6==Br;1==(yl)}} -\end{center} -\par\vskip2cm -\noindent -where the substituted phenyl group is regarded as a substituent. -An opposite view can be realized by the code -\begin{verbatim} -\bzdrv{3==OMe;4==OMe;6==Br;% -1==\decaheterov[]{4a==N}{4D==O;7B==HO;{{10}A}==H;5==(yl)}} -\end{verbatim} -which typesets the same structure: -\vskip2cm -\begin{center} -\bzdrv{3==OMe;4==OMe;6==Br;% -1==\decaheterov[]{4a==N}{4D==O;7B==HO;{{10}A}==H;5==(yl)}} -\end{center} -where the moiety drawn by the command \verb/\decaheterov/ is -regarded as a substituent. - -Two or more substituents generated by the ``yl''-function -can be introduced into an ATOMLIST. For example, -\begin{verbatim} -\bzdrh{1==\bzdrh{4==(yl)};4==\bzdrh{1==(yl);3==F}} -\end{verbatim} -typesets the following structure, -\begin{center} -\bzdrh{1==\bzdrh{4==(yl)};4==\bzdrh{1==(yl);3==F}} -\end{center} - -The structural formula of hexaphenylbenzene can be -drawn by this technique. Thus the code, -\begin{verbatim} -\bzdrv{1==\bzdrv{4==(yl)};% -2==\bzdrv{5==(yl)};3==\bzdrv{6==(yl)};% -4==\bzdrv{1==(yl)};5==\bzdrv{2==(yl)};% -6==\bzdrv{3==(yl)}} -\end{verbatim} -generates the following formula: -\begin{center} -\vspace*{1cm} -\bzdrv{1==\bzdrv{4==(yl)};% -2==\bzdrv{5==(yl)};3==\bzdrv{6==(yl)};% -4==\bzdrv{1==(yl)};5==\bzdrv{2==(yl)};% -6==\bzdrv{3==(yl)}} - -\vspace*{1cm} -\end{center} - -\section{Nested ``yl''-functions} - -Two or more ``yl''-functions can be nested. -For example, a structure -\begin{center} -\tetrahedral{0==C;1D==O;4==\bzdrh{1==(yl)}} -\end{center} -depicted by the code, -\begin{verbatim} -\tetrahedral{0==C;1D==O;4==\bzdrh{1==(yl)}} -\end{verbatim} -can be converted into a substituent by adding -``yl''-function, as shown in the following code: -\begin{verbatim} -\tetrahedral{2==(yl);0==C;1D==O;4==\bzdrh{1==(yl)}} -\end{verbatim} -Then this substituent is nested in the SUBSLIST of -the command \verb/\cyclohexaneh/ to give a code, -\begin{verbatim} -\cyclohexaneh[]{4==% -\tetrahedral{2==(yl);0==C;1D==O;4==\bzdrh{1==(yl)}}} -\end{verbatim} -Thereby we have the structural formula of -benzoylcyclohexane: -\begin{center} -\cyclohexaneh[]{4==% -\tetrahedral{2==(yl);0==C;1D==O;4==\bzdrh{1==(yl)}}} -\end{center} - -The resulting structure can be further converted into -a substituent by adding ``yl''-function. The -following example shows that the substituent is -linked to the 4-position of a naphthol ring: -\begin{center} -\naphdrh{1==HO;4==% -\cyclohexaneh[]{1==(yl);4==% -\tetrahedral{2==(yl);0==C;1D==O;4==\bzdrh{1==(yl)}}}} -\end{center} -which is typeset by the triply nested code: -\begin{verbatim} -\naphdrh{1==HO;4==% -\cyclohexaneh[]{1==(yl);4==% -\tetrahedral{2==(yl);0==C;1D==O;4==\bzdrh{1==(yl)}}}} -\end{verbatim} -The same structural formula can be drawn by regarding -the 1-naphthol-4-yl group and the benzoyl group as -substituents, as shown in the following code: -\begin{verbatim} -\cyclohexaneh[]{% -1==\naphdrh{1==HO;4==(yl)};% -4==\tetrahedral{2==(yl);0==C;1D==O;4==\bzdrh{1==(yl)}}} -\end{verbatim} -Accordingly, we have -\begin{center} -\cyclohexaneh[]{% -1==\naphdrh{1==HO;4==(yl)};% -4==\tetrahedral{2==(yl);0==C;1D==O;4==\bzdrh{1==(yl)}}} -\end{center} - -\bigskip -The structure of benzoylcyclohexane can also be drawn by considering -the \verb/\tetrahedral/ moiety as a mother skeleton, -as shown in the code: -\begin{verbatim} -\tetrahedral{0==C;1D==O;4==\bzdrh{1==(yl)};2==\cyclohexaneh[]{4==(yl)}} -\end{verbatim} -Thereby, we have the formula, -\begin{center} -\tetrahedral{0==C;1D==O;4==\bzdrh{1==(yl)};2==\cyclohexaneh[]{4==(yl)}} -\end{center} -which shows that -two or more substituents produced by the ``yl''-function -can be written in a SUBSLIST. -This treatment corresponds to the alternative name of -benzoylcyclohexane, i.e., cyclohexyl phenyl ketone, -since the codes \verb/\cyclohexaneh{4==(yl)}/ and -\verb/\bzdrh{1==(yl)}/ represent -a cyclohexyl and a phenyl group, respectively. - -Although -the resulting structure cannot be used as a substituent concerning -the cyclohexane ring, the SUBSLIST of the command \verb/\cyclohexaneh/ -is capable of accomodating the substituent \verb/\naphdrh{1==HO;4==(yl)}/ -to give -\begin{verbatim} -\tetrahedral{0==C;1D==O;4==\bzdrh{1==(yl)};% -2==\cyclohexaneh[]{4==(yl);1==\naphdrh{1==HO;4==(yl)}}} -\end{verbatim} -which typesets the same structural formula: -\begin{center} -\tetrahedral{0==C;1D==O;4==\bzdrh{1==(yl)};% -2==\cyclohexaneh[]{4==(yl);1==\naphdrh{1==HO;4==(yl)}}} - -\vspace*{1cm} -\end{center} - - -The formula, -\begin{center} -\vspace*{2cm} -\bzdrv{% -1==\bzdrv{4==(yl);2==\bzdrv{5==(yl)}};% -2==\bzdrv{5==(yl);3==\bzdrv{6==(yl)}};% -3==\bzdrv{6==(yl);4==\bzdrv{1==(yl)}};% -4==\bzdrv{1==(yl);5==\bzdrv{2==(yl)}};% -5==\bzdrv{2==(yl);6==\bzdrv{3==(yl)}};% -6==\bzdrv{3==(yl);1==\bzdrv{4==(yl)}}} - -\vspace*{2cm} -\end{center} -illustrates the more complicated structure of a code -with nested ``yl''-functions: -\begin{verbatim} -\bzdrv{% -1==\bzdrv{4==(yl);2==\bzdrv{5==(yl)}};% -2==\bzdrv{5==(yl);3==\bzdrv{6==(yl)}};% -3==\bzdrv{6==(yl);4==\bzdrv{1==(yl)}};% -4==\bzdrv{1==(yl);5==\bzdrv{2==(yl)}};% -5==\bzdrv{2==(yl);6==\bzdrv{3==(yl)}};% -6==\bzdrv{3==(yl);1==\bzdrv{4==(yl)}}} -\end{verbatim} - -To simplify the coding, we define a macro -drawing a biphenyl unit as follows: -\begin{verbatim} -\def\biph#1#2#3{\bzdrv{#1==(yl);#2==\bzdrv{#3==(yl)}}} -\end{verbatim} -Then, this macro is used in the SUBSLIST of \verb/\bzdrv/ -to give the code, -\begin{verbatim} -\bzdrv{% -1==\biph{4}{2}{5};% -2==\biph{5}{3}{6};% -3==\biph{6}{4}{1};% -4==\biph{1}{5}{2};% -5==\biph{2}{6}{3};% -6==\biph{3}{1}{4}} -\end{verbatim} -Thereby, we have -\begin{center} -\vspace*{2cm} -\def\biph#1#2#3{\bzdrv{#1==(yl);#2==\bzdrv{#3==(yl)}}} -\bzdrv{% -1==\biph{4}{2}{5};% -2==\biph{5}{3}{6};% -3==\biph{6}{4}{1};% -4==\biph{1}{5}{2};% -5==\biph{2}{6}{3};% -6==\biph{3}{1}{4}} - -\vspace*{2cm} -\end{center} - -A more complex nested code, - -\begin{verbatim} -\vspace*{8cm} -\bzdrv{% -1==\bzdrv{4==(yl);2==\bzdrv{5==(yl);3==\bzdrv{6==(yl);% -3==\bzdrv{6==(yl);4==\bzdrv{1==(yl);4==\bzdrv{1==(yl);% -4==\bzdrv{1==(yl);5==\bzdrv{2==(yl);5==\bzdrv{2==(yl);% -5==\bzdrv{2==(yl)}}}}}}}}}};% -2==\bzdrv{5==(yl);3==\bzdrv{6==(yl);4==\bzdrv{1==(yl);% -4==\bzdrv{1==(yl);5==\bzdrv{2==(yl);5==\bzdrv{2==(yl);% -5==\bzdrv{2==(yl);6==\bzdrv{3==(yl);6==\bzdrv{3==(yl);% -6==\bzdrv{3==(yl)}}}}}}}}}};% -3==\bzdrv{6==(yl);4==\bzdrv{1==(yl);5==\bzdrv{2==(yl);% -5==\bzdrv{2==(yl);6==\bzdrv{3==(yl);6==\bzdrv{3==(yl);% -6==\bzdrv{3==(yl);1==\bzdrv{4==(yl);1==\bzdrv{4==(yl);% -1==\bzdrv{4==(yl)}}}}}}}}}};% -4==\bzdrv{1==(yl);5==\bzdrv{2==(yl);6==\bzdrv{3==(yl);% -6==\bzdrv{3==(yl);1==\bzdrv{4==(yl);1==\bzdrv{4==(yl);% -1==\bzdrv{4==(yl);2==\bzdrv{5==(yl);2==\bzdrv{5==(yl);% -2==\bzdrv{5==(yl)}}}}}}}}}};% -5==\bzdrv{2==(yl);6==\bzdrv{3==(yl);1==\bzdrv{4==(yl);% -1==\bzdrv{4==(yl);2==\bzdrv{5==(yl);2==\bzdrv{5==(yl);% -2==\bzdrv{5==(yl);3==\bzdrv{6==(yl);3==\bzdrv{6==(yl);% -3==\bzdrv{6==(yl)}}}}}}}}}};% -6==\bzdrv{3==(yl);1==\bzdrv{4==(yl);2==\bzdrv{5==(yl);% -2==\bzdrv{5==(yl);3==\bzdrv{6==(yl);3==\bzdrv{6==(yl);% -3==\bzdrv{6==(yl);4==\bzdrv{1==(yl);4==\bzdrv{1==(yl);% -4==\bzdrv{1==(yl)}}}}}}}}}}} -\end{verbatim} -produces the following formula: - -\clearpage%to avoid ! TeX capacity exceeded - -\begin{center} -\vspace*{8cm} -\bzdrv{% -1==\bzdrv{4==(yl);2==\bzdrv{5==(yl);3==\bzdrv{6==(yl);% -3==\bzdrv{6==(yl);4==\bzdrv{1==(yl);4==\bzdrv{1==(yl);% -4==\bzdrv{1==(yl);5==\bzdrv{2==(yl);5==\bzdrv{2==(yl);% -5==\bzdrv{2==(yl)}% -}}}% -}}}% -}}};% -2==\bzdrv{5==(yl);3==\bzdrv{6==(yl);4==\bzdrv{1==(yl);% -4==\bzdrv{1==(yl);5==\bzdrv{2==(yl);5==\bzdrv{2==(yl);% -5==\bzdrv{2==(yl);6==\bzdrv{3==(yl);6==\bzdrv{3==(yl);% -6==\bzdrv{3==(yl)}% -}}}% -}}}% -}}};% -3==\bzdrv{6==(yl);4==\bzdrv{1==(yl);5==\bzdrv{2==(yl);% -5==\bzdrv{2==(yl);6==\bzdrv{3==(yl);6==\bzdrv{3==(yl);% -6==\bzdrv{3==(yl);1==\bzdrv{4==(yl);1==\bzdrv{4==(yl);% -1==\bzdrv{4==(yl)}% -}}}% -}}}% -}}};% -4==\bzdrv{1==(yl);5==\bzdrv{2==(yl);6==\bzdrv{3==(yl);% -6==\bzdrv{3==(yl);1==\bzdrv{4==(yl);1==\bzdrv{4==(yl);% -1==\bzdrv{4==(yl);2==\bzdrv{5==(yl);2==\bzdrv{5==(yl);% -2==\bzdrv{5==(yl)}% -}}}% -}}}% -}}};% -5==\bzdrv{2==(yl);6==\bzdrv{3==(yl);1==\bzdrv{4==(yl);% -1==\bzdrv{4==(yl);2==\bzdrv{5==(yl);2==\bzdrv{5==(yl);% -2==\bzdrv{5==(yl);3==\bzdrv{6==(yl);3==\bzdrv{6==(yl);% -3==\bzdrv{6==(yl)}% -}}}% -}}}% -}}};% -6==\bzdrv{3==(yl);1==\bzdrv{4==(yl);2==\bzdrv{5==(yl);% -2==\bzdrv{5==(yl);3==\bzdrv{6==(yl);3==\bzdrv{6==(yl);% -3==\bzdrv{6==(yl);4==\bzdrv{1==(yl);4==\bzdrv{1==(yl);% -4==\bzdrv{1==(yl)}% -}}}% -}}}% -}}}} -\end{center} - -\clearpage - -The code to draw this structural formula is -too complicated to cause the ``\TeX{} capacity exceeded'' error. -To avoid the error, we use \verb/\clearpage/ commands before -and after the output of the formula. -In addition, we call only necessary packages -to treat this cocument without the use of \textsf{xymtex.sty} -calling all package files. - -\section{Remarks} -\subsection{Drawing Domains} -Substituents produced by the ``yl''-function have no dimensions. -For example, benzoylcyclohexane -\begin{center} -\fbox{% -\cyclohexaneh[]{4==% -\tetrahedral{2==(yl);0==C;1D==O;4==\bzdrh{1==(yl)}}}% -} -\end{center} -produced by the code -\begin{verbatim} -\cyclohexaneh[]{4==% -\tetrahedral{2==(yl);0==C;1D==O;4==\bzdrh{1==(yl)}}} -\end{verbatim} -has a drawing domain around the cyclohexane mother skeleton, -as encircled by a frame. Since the bezoyl moiety occupies no area, -it may be superimposed on other contexts -so as to require some space adjustments. -For example, the above code duplicated without -any space adjustment, -\begin{verbatim} -\cyclohexaneh[]{4==% -\tetrahedral{2==(yl);0==C;1D==O;4==\bzdrh{1==(yl)}}} -\cyclohexaneh[]{4==% -\tetrahedral{2==(yl);0==C;1D==O;4==\bzdrh{1==(yl)}}}% -\end{verbatim} -gives an insufficient result: -\begin{center} -\cyclohexaneh[]{4==% -\tetrahedral{2==(yl);0==C;1D==O;4==\bzdrh{1==(yl)}}} -\cyclohexaneh[]{4==% -\tetrahedral{2==(yl);0==C;1D==O;4==\bzdrh{1==(yl)}}}% -\end{center} -This superposition can be avoided by a horizontal spacing. Thus -the code -\begin{verbatim} -\cyclohexaneh[]{4==% -\tetrahedral{2==(yl);0==C;1D==O;4==\bzdrh{1==(yl)}}} -\hskip2cm -\cyclohexaneh[]{4==% -\tetrahedral{2==(yl);0==C;1D==O;4==\bzdrh{1==(yl)}}}% -\end{verbatim} -typesets improved formulas: -\begin{center} -\cyclohexaneh[]{4==% -\tetrahedral{2==(yl);0==C;1D==O;4==\bzdrh{1==(yl)}}} -\hskip2cm -\cyclohexaneh[]{4==% -\tetrahedral{2==(yl);0==C;1D==O;4==\bzdrh{1==(yl)}}}% -\end{center} - -If a more thorough adjustment is required, -a formula should be placed in a \LaTeX{} picture environment -as follows. -\begin{verbatim} -\begin{picture}(1600,900)(0,0) -\cyclohexaneh[]{4==% -\tetrahedral{2==(yl);0==C;1D==O;4==\bzdrh{1==(yl)}}} -\end{picture} -\end{verbatim} -This code produces -\begin{center} -\fbox{% -\begin{picture}(1600,900)(0,0) -\cyclohexaneh[]{4==% -\tetrahedral{2==(yl);0==C;1D==O;4==\bzdrh{1==(yl)}}} -\end{picture} -} -\end{center} -where a frame is added by means of a \verb/\fbox/ command. - -A drawing domain around a formula depends upon a mother skeleton -selected. For example, the formula of benzoylcyclohexane at the top -of this section has a drawing domain shown by the frame, since -a \verb/\cyclohexaneh/ is selected as a mother skeleton. -On the other hand, the alternative formula -of benzoylcyclohexane depicted by the code, -\begin{verbatim} -\tetrahedral{0==C;1D==O;4==\bzdrh{1==(yl)};2==\cyclohexaneh[]{4==(yl)}} -\end{verbatim} -has a drawing domain due to the \verb/\tetrahedral/ skeleton. -Thus, the code gives the following output: -\begin{center} -\fbox{% -\tetrahedral{0==C;1D==O;4==\bzdrh{1==(yl)};2==\cyclohexaneh[]{4==(yl)}} -} -\end{center} -where the frame indicates such a drawing domain, -when an \verb/\fbox/ command is used around -the \verb/\tetrahedral/ command. -The domain shown by the frame (due to \verb/\fbox/) is equal to -any domain based on the simple use of the \verb/\tetrahedral/ command -(without using the ``yl''-function). -For example, compare the above frame with the one -appearing in the formula, -\begin{center} -\fbox{\tetrahedral{0==C;1D==O;4==Cl;2==Cl}} -\end{center} -depicted by the code, -\begin{verbatim} -\fbox{\tetrahedral{0==C;1D==O;4==Cl;2==Cl}} -\end{verbatim} - -\subsection{Reference Points} - -Each \XyMTeX{} command for drawing a mother skeleton -has its reference point and its inner reference point. -These points can be printed out by switching -\verb/\origpt/ on. For example, the code -\begin{verbatim} -{ -\origpttrue -\cyclohexanev{} -} -\end{verbatim} -generates the diagram: -\begin{center} -{ -\origpttrue -\cyclohexanev{} -} -\end{center} -where the solid circle indicates the reference point (0,0) and -the open circle indicates the inner reference point (400,240). -The values of cooridates are output on a display and in a log file: -\begin{verbatim} -command `sixheterov' origin: (0,0) ---> (400,240) -\end{verbatim} -since \verb/\cyclohexanev/ is based on \verb/\sixheterov/. - - -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\chapter{Linking Units} - -The commands \verb/\ryl/ and \verb/\lyl/ described -in this chapter are added to -the {\sf chemstr} package (file name: chemstr.sty). -The \verb/\divalenth/ command is added to -the {\sf aliphat} package (file name: aliphat.sty). - -\section{$\backslash$ryl command}. - -The ``yl''-function provides us with -a tool to generate a substituent that -is linked {\itshape directly} to a substitution site -of a mother skeleton. There are, however, -many cases in which a substituent -is linked to a substitution site by an intervening unit -(e.g., O, SO$_{2}$ and NH). -The command \verb/\ryl/ is used to -generate a right-hand substituent with a linking unit. -For example, the code -\begin{verbatim} -\ryl(5==NH--SO$_{2}$){4==\bzdrh{1==(yl)}} -\end{verbatim} -produces a benzenesulfonamido substituent, -\bigskip -\begin{center} -\ryl(5==NH--SO$_{2}$){4==\bzdrh{1==(yl)}} - -\vspace*{1cm} -\end{center} -The resulting unit is added to the SUBSLIST of -a command for drawing a skeletal command. -For example, the code -\begin{verbatim} -\bzdrh{3==\ryl(5==NH--SO$_{2}$){4==\bzdrh{1==(yl)}}} -\end{verbatim} -generates the following formula: -\begin{center} -\vspace*{1cm} -\bzdrh{3==\ryl(5==NH--SO$_{2}$){4==\bzdrh{1==(yl)}}} -\end{center} - -The \verb/\ryl/ command takes two arguments. -\begin{verbatim} -\ryl(LINK){GROUP} -\end{verbatim} -The first argument LINK in the parentheses indicates -an intervening unit with an integer showing -the slope of a left incidental bond. -For example, the number 5 of the code \verb/5==NH--SO$_{2}$/ -shown above represents that the left terminal is to be linked -through $(-5,-3)$ bond, though the linking bond -is not typeset by the \verb/\ryl/ command only. -The slopes of the linking bonds are designated by -integers between 0 and 8: -\begin{center} -\begin{tabular}{cc|cc|cc} -0 & $(0,1)$ & 1 & $(-3,5)$ & 2 & $(-1,1)$ \\ -3 & $(-5,3)$ & 4 & $(-1,0)$ & 5 & $(-5,-3)$ \\ -6 & $(-1,-1)$ & 7 & $(-3,-5)$ & 8 & $(0,-1)$ \\ -\end{tabular} -\end{center} - -The second argument GROUP of \verb/\ryl/ is -a substituent produced by a ``yl''-function, -where a number before a delimiter (==) indicates -the slope of a right incidental bond. -For example, the number 4 of the code -\verb/4==\bzdrh{1==(yl)}/ shown above -represents that the right terminal is to be linked -through $(1,0)$ bond to the benzene ring generated by -the \verb/\bzdrh/ command. -The slopes of the linking bonds are designated by -integers between 0 and 8: -\begin{center} -\begin{tabular}{cc|cc|cc} -0 & $(0,1)$ & 1 & $(3,5)$ & 2 & $(1,1)$ \\ -3 & $(5,3)$ & 4 & $(1,0)$ & 5 & $(5,-3)$ \\ -6 & $(1,-1)$ & 7 & $(3,-5)$ & 8 & $(0,-1)$ \\ -\end{tabular} -\end{center} - -To illustrate linking bonds with various slopes, -the code -\begin{verbatim} -\cyclohexanev[]{% -1==\ryl(8==NH--SO$_{2}$){1==\bzdrh{6==(yl)}}; -2==\ryl(5==NH--SO$_{2}$){4==\bzdrh{1==(yl)}}; -3==\ryl(3==NH--SO$_{2}$){4==\bzdrh{1==(yl)}};% -4==\ryl(0==NH--SO$_{2}$){7==\bzdrh{2==(yl)}}} -\end{verbatim} -is written to give - -\vspace*{2cm} -\begin{center} -\cyclohexanev[]{% -1==\ryl(8==NH--SO$_{2}$){1==\bzdrh{6==(yl)}}; -2==\ryl(5==NH--SO$_{2}$){4==\bzdrh{1==(yl)}}; -3==\ryl(3==NH--SO$_{2}$){4==\bzdrh{1==(yl)}};% -4==\ryl(0==NH--SO$_{2}$){7==\bzdrh{2==(yl)}}} -\end{center} -\vspace*{2cm} - -Other examples are drawn by the code -\begin{verbatim} -\cyclohexaneh[]{% -3==\ryl(7==NH--SO$_{2}$){4==\bzdrh{1==(yl)}}; -5==\ryl(1==NH--SO$_{2}$){4==\bzdrh{1==(yl)}};% -4==\ryl(4==NH--SO$_{2}$--NH){4==\bzdrh{1==(yl)}}} -\end{verbatim} -giving -\vspace*{1cm} -\begin{center} -\cyclohexaneh[]{% -3==\ryl(7==NH--SO$_{2}$){4==\bzdrh{1==(yl)}}; -5==\ryl(1==NH--SO$_{2}$){4==\bzdrh{1==(yl)}};% -4==\ryl(4==NH--SO$_{2}$--NH){4==\bzdrh{1==(yl)}}} -\end{center} -\vspace*{1cm} - -The first argument in the parentheses of the -command \verb/\ryl/ contains a string of letters -after an intermediate delimiter ==, where -a left linking site is shifted according to the -length of the letter string. -The above formula shows such an example -as having NH--SO$_{2}$--NH. - - -The following examples compare the -``yl''-function with the \verb/\ryl/ command. -\begin{verbatim} -\cyclohexaneh{4==\bzdrh{1==(yl)}} -\hskip2cm -\cyclohexaneh{4==\ryl(4==O){4==\bzdrh{1==(yl)}}} -\end{verbatim} - -\begin{center} -\cyclohexaneh{4==\bzdrh{1==(yl)}} -\hskip2cm -\cyclohexaneh{4==\ryl(4==O){4==\bzdrh{1==(yl)}}} -\end{center} - -The compound {\bfseries 21} -on page 299 of the \XyMTeX book -%``\XyMTeX{}---Typesetting Chemical -%Structural Formulas'' (Addison-Wesley Publishers Japan, 1997) -can be alternatively drawn by using -the \verb/\ryl/ command, as shown in the code: -\begin{verbatim} -\fiveheterov[d]{1==N;5==N}{4==NC;1==\bzdrv{1==(yl)};2D==O;% -3D==\ryl(5==N-NH){4==\bzdrh{1==(yl);2==\lmoiety{MeO};5==SO$_{2}$Cl}}} -\end{verbatim} -which typeset the following formula: -\begin{center} -\vspace*{1cm} -\fiveheterov[d]{1==N;5==N}{4==NC;1==\bzdrv{1==(yl)};2D==O;% -3D==\ryl(5==N-NH){4==\bzdrh{1==(yl);2==\lmoiety{MeO};5==SO$_{2}$Cl}}} - -\vspace*{2cm} -\end{center} - -The first argument of the \verb/\ryl/ is optional; i.e., it can be -omitted. Such an omitted case is useful to draw a methylene as -a vertex. For example, a methylene is represented as -a character string ``CH$_{2}$'', as shown in the formula, -\begin{center} -\sixheterov[d]{2==S}{5==\null;% -3==\ryl(3==CH$_{2}$){3==\sixheterov[d]{2==S}{5==(yl)}}} -\end{center} -This formula is generated by the code, -\begin{verbatim} -\sixheterov[d]{2==S}{5==\null;% -3==\ryl(3==CH$_{2}$){3==\sixheterov[d]{2==S}{5==(yl)}}} -\end{verbatim} -where the \verb/\ryl/ command takes an optional argument -in parentheses to draw CH$_{2}$ exciplicitly. -Such a methylene can alternatively be represented as a simple vertex, -as shown in the formula, -\begin{center} -\sixheterov[d]{2==S}{5==\null;% -3==\ryl{3==\sixheterov[d]{2==S}{5==(yl)}}} -\end{center} -This formula is generated by the code, -\begin{verbatim} -\sixheterov[d]{2==S}{5==\null;% -3==\ryl{3==\sixheterov[d]{2==S}{5==(yl)}}} -\end{verbatim} -where the \verb/\ryl/ command takes no optional argument. - -The second argument of the \verb/\ryl/ command can -accomodate substituents other than a substituent -generated by the ``yl'' function. For example, -the inner code \verb/\ryl{0A==Me;...}/ in the code, -\begin{verbatim} -\sixheterov({bB}{eA}){3==O;5==O}{1A==Me;4Sa==\null;4Sb==\null;% -6==\pentamethylenei[a]{}{4B==OH;5B==Me;5==(yl)};% -2==\ryl{0A==Me;5==\sixheterov({eA}){3==O;5==O}{6==(yl);1B==Me;% -4Sa==\null;4Sb==\null}}} -\end{verbatim} -represents a methyl group on a vertex due to the command \verb/\ryl/. -Thereby, we have -\begin{center} -\vspace*{1cm} -\sixheterov({bB}{eA}){3==O;5==O}{1A==Me;4Sa==\null;4Sb==\null;% -6==\pentamethylenei[a]{}{4B==OH;5B==Me;5==(yl)};% -2==\ryl{0A==Me;5==\sixheterov({eA}){3==O;5==O}{6==(yl);1B==Me;% -4Sa==\null;4Sb==\null}}} - -\vspace*{1cm} -\end{center} - - - -\section{$\backslash$lyl command} - -The command \verb/\lyl/ is the left-hand -counterpart of the command \verb/\ryl/. -\begin{verbatim} -\lyl(LINK){GROUP} -\end{verbatim} -The slopes of the linking bonds -concerning the right terminal are designated by -integers between 0 and 8: -\begin{center} -\begin{tabular}{cc|cc|cc} -0 & $(0,1)$ & 1 & $(3,5)$ & 2 & $(1,1)$ \\ -3 & $(5,3)$ & 4 & $(1,0)$ & 5 & $(5,-3)$ \\ -6 & $(1,-1)$ & 7 & $(3,-5)$ & 8 & $(0,-1)$ \\ -\end{tabular} -\end{center} -The slopes of the linking bonds concerning -the left terminal are designated by -integers between 0 and 8: -\begin{center} -\begin{tabular}{cc|cc|cc} -0 & $(0,1)$ & 1 & $(-3,5)$ & 2 & $(-1,1)$ \\ -3 & $(-5,3)$ & 4 & $(-1,0)$ & 5 & $(-5,-3)$ \\ -6 & $(-1,-1)$ & 7 & $(-3,-5)$ & 8 & $(0,-1)$ \\ -\end{tabular} -\end{center} - -To illustrate linking bonds with various slopes, -the code -\begin{verbatim} -\cyclohexanev[]{% -1==\lyl(8==SO$_{2}$--HN){1==\bzdrh{5==(yl)}};% -6==\lyl(5==SO$_{2}$--NH){4==\bzdrh{4==(yl)}};% -5==\lyl(3==SO$_{2}$--NH){4==\bzdrh{4==(yl)}};% -4==\lyl(0==SO$_{2}$--HN){7==\bzdrh{3==(yl)}}} -\end{verbatim} -is written to give - - -\vspace*{2cm} -\begin{center} -\cyclohexanev[]{% -1==\lyl(8==SO$_{2}$--HN){1==\bzdrh{5==(yl)}};% -6==\lyl(5==SO$_{2}$--NH){4==\bzdrh{4==(yl)}};% -5==\lyl(3==SO$_{2}$--NH){4==\bzdrh{4==(yl)}};% -4==\lyl(0==SO$_{2}$--HN){7==\bzdrh{3==(yl)}}} -\end{center} -\vspace*{2cm} - -Other examples are drawn by the code -\begin{verbatim} -\cyclohexaneh[]{% -2==\lyl(7==SO$_{2}$--NH){4==\bzdrh{4==(yl)}}; -6==\lyl(1==SO$_{2}$--NH){4==\bzdrh{4==(yl)}};% -1==\lyl(4==NH--SO$_{2}$--HN){4==\bzdrh{4==(yl)}}} -\end{verbatim} -giving -\vspace*{1cm} -\begin{center} -\cyclohexaneh[]{% -2==\lyl(7==SO$_{2}$--NH){4==\bzdrh{4==(yl)}}; -6==\lyl(1==SO$_{2}$--NH){4==\bzdrh{4==(yl)}};% -1==\lyl(4==NH--SO$_{2}$--NH){4==\bzdrh{4==(yl)}}} -\end{center} -\vspace*{1cm} - -The first argument in the parentheses of the -command \verb/\lyl/ contains a string of letters -after an intermediate delimiter ==, where -a left linking site is shifted according to the -length of the letter string. -The above formula shows such an example -as having NH--SO$_{2}$--NH. - -The structural formula of adonitoxin, -which has once been depicted in a different way -in Chapter 15 of the \XyMTeX book -%``\XyMTeX{}---Typesetting Chemical -%Structural Formulas'' (Addison-Wesley Publishers Japan, 1997) -can be obtained by the code, -\begin{verbatim} -\steroid{{{10}}==\lmoiety{OHC};{{14}}==OH;% -{{13}}==\lmoiety{H$_{3}$C};{{16}}==OH;% -{{17}}==\fiveheterov[e]{3==O}{4D==O;1==(yl)};% -3==\lyl(3==O){8==% -\pyranose{1Sb==(yl);1Sa==H;2Sb==H;2Sa==OH;3Sb==H;3Sa==OH;4Sb==HO;% -4Sa==H;5Sb==H;5Sa==CH$_{3}$}}} -\end{verbatim} - -\begin{quotation} -\vspace*{1cm} -\hspace*{4cm} -\steroid{{{10}}==\lmoiety{OHC};{{14}}==OH;% -{{13}}==\lmoiety{H$_{3}$C};{{16}}==OH;% -{{17}}==\fiveheterov[e]{3==O}{4D==O;1==(yl)};% -3==\lyl(3==O){8==% -\pyranose{1Sb==(yl);1Sa==H;2Sb==H;2Sa==OH;3Sb==H;3Sa==OH;4Sb==HO;% -4Sa==H;5Sb==H;5Sa==CH$_{3}$}}} -\end{quotation} - -\vskip1cm - - -\section{Nested $\backslash$ryl and $\backslash$lyl commands} - -Two or more \verb/\ryl/ and \verb/\lyl/ commands can be nested. -Let us illustrate nesting processes by drawing a cyan -dye releaser, which has once been depicted in different ways -(see Chapters 14 and 15 of the \XyMTeX book). -%in ``\XyMTeX{}---Typesetting Chemical -%Structural Formulas'' (Addison-Wesley Publishers Japan, 1997)). - -\vspace*{1cm} -\bzdrv{1==OH;5==CH$_{3}$;4==OC$_{16}$H$_{33}$;% -2==\ryl(4==NH--SO$_{2}$){4==\bzdrh{1==(yl);2==OCH$_{2}$CH$_{2}$OCH$_{3}$;% -5==\ryl(2==NH--SO$_{2}$){4==\bzdrh{1==(yl);% -5==\ryl(2==SO$_{2}$--NH){4==\naphdrh{1==(yl);5==OH;% -8==\lyl(4==N=N){4==\bzdrh{4==(yl);1==NO$_{2}$;5==SO$_{2}$CH$_{3}$}}}}}}}}} - -\vskip3cm -First, the code -\begin{verbatim} -\ryl(4==NH--SO$_{2}$){4==\bzdrh{1==(yl);2==OCH$_{2}$CH$_{2}$OCH$_{3}$;% -5==\null}} -\end{verbatim} -generates a substituent: -\begin{quotation} -\vspace*{1cm} -\ryl(4==NH--SO$_{2}$){4==\bzdrh{1==(yl);2==OCH$_{2}$CH$_{2}$OCH$_{3}$;% -5==\null}} - -\vspace*{1cm} -\end{quotation} -in which the command \verb/\null/ is used to show a further -substitution site. The resulting substituent is -nested in the SUBSLIT of another \verb/\bzdrv/ command -as shown in the code: -\begin{verbatim} -\bzdrv{1==OH;5==CH$_{3}$;4==OC$_{16}$H$_{33}$;% -2==\ryl(4==NH--SO$_{2}$){4==\bzdrh{1==(yl);2==OCH$_{2}$CH$_{2}$OCH$_{3}$;% -5==\null}}} -\end{verbatim} -Thereby we have -\begin{quotation} -\vskip1cm -\bzdrv{1==OH;5==CH$_{3}$;4==OC$_{16}$H$_{33}$;% -2==\ryl(4==NH--SO$_{2}$){4==\bzdrh{1==(yl);2==OCH$_{2}$CH$_{2}$OCH$_{3}$;% -5==\null}}} -\end{quotation} - -\vskip1cm \noindent -The inner code \verb/5==\null/ is replaced by a further -code of substitution: -\begin{verbatim} -5==\ryl(2==NH--SO$_{2}$){4==\bzdrh{1==(yl);5==\null}}% -\end{verbatim} -to give a code, -\begin{verbatim} -\bzdrv{1==OH;5==CH$_{3}$;4==OC$_{16}$H$_{33}$;% -2==\ryl(4==NH--SO$_{2}$){4==\bzdrh{1==(yl);2==OCH$_{2}$CH$_{2}$OCH$_{3}$;% -5==\ryl(2==NH--SO$_{2}$){4==\bzdrh{1==(yl);5==\null}}% -}}} -\end{verbatim} -This code generates the following structure (Formula A): -\begin{quotation} -\vskip1cm -\bzdrv{1==OH;5==CH$_{3}$;4==OC$_{16}$H$_{33}$;% -2==\ryl(4==NH--SO$_{2}$){4==\bzdrh{1==(yl);2==OCH$_{2}$CH$_{2}$OCH$_{3}$;% -5==\ryl(2==NH--SO$_{2}$){4==\bzdrh{1==(yl);% -5==\null}}}}} -\end{quotation} - -\vskip1cm -Another substituent is typeset by the code, -\begin{verbatim} -\ryl(2==SO$_{2}$--NH){4==\naphdrh{1==(yl);5==OH;% -8==\lyl(4==N=N){4==\bzdrh{4==(yl);1==NO$_{2}$;5==SO$_{2}$CH$_{3}$}}}} -\end{verbatim} -Then, we have a substituent (Formula B): -\begin{quotation} -\vskip1cm -\hspace*{4cm}\ryl(2==SO$_{2}$--NH){4==\naphdrh{1==(yl);5==OH;% -8==\lyl(4==N=N){4==\bzdrh{4==(yl);1==NO$_{2}$;5==SO$_{2}$CH$_{3}$}}}} -\end{quotation} - -\vspace{3cm} -Finally, the inner code \verb/5==\null/ for Formula A is replaced -by the code for Formula B -in order to combine Formula A with Formula B. -Then we obtain a code represented by -\begin{verbatim} -\bzdrv{1==OH;5==CH$_{3}$;4==OC$_{16}$H$_{33}$;% -2==\ryl(4==NH--SO$_{2}$){4==\bzdrh{1==(yl);2==OCH$_{2}$CH$_{2}$OCH$_{3}$;% -5==\ryl(2==NH--SO$_{2}$){4==\bzdrh{1==(yl);% -5==\ryl(2==SO$_{2}$--NH){4==\naphdrh{1==(yl);5==OH;% -8==\lyl(4==N=N){4==\bzdrh{4==(yl);1==NO$_{2}$;5==SO$_{2}$CH$_{3}$}}}}}}}}} -\end{verbatim} -Thereby, we have a target formula: - -\vspace*{1cm} -\bzdrv{1==OH;5==CH$_{3}$;4==OC$_{16}$H$_{33}$;% -2==\ryl(4==NH--SO$_{2}$){4==\bzdrh{1==(yl);2==OCH$_{2}$CH$_{2}$OCH$_{3}$;% -5==\ryl(2==NH--SO$_{2}$){4==\bzdrh{1==(yl);% -5==\ryl(2==SO$_{2}$--NH){4==\naphdrh{1==(yl);5==OH;% -8==\lyl(4==N=N){4==\bzdrh{4==(yl);1==NO$_{2}$;5==SO$_{2}$CH$_{3}$}}}}}}}}} - -\vskip3cm - -The structural formula of adonitoxin, -which has benn drawn by considering the steroid nucleus to be -a mother skeleton in the preceding subsection, -can be alternatively drawn by nesting -a ``yl''-function and a \verb/\ryl/ command. -In this case, the pyranose ring is regarded as a mother skeleton. -Thus, the code -\begin{verbatim} -\pyranose{1Sa==H;2Sb==H;2Sa==OH;3Sb==H;3Sa==OH;4Sb==HO;% -4Sa==H;5Sb==H;5Sa==CH$_{3}$;% -1Sb==\ryl(8==O){3==% -\steroid{3==(yl);{{10}}==\lmoiety{OHC};{{14}}==OH;% -{{13}}==\lmoiety{H$_{3}$C};{{16}}==OH;% -{{17}}==\fiveheterov[e]{3==O}{4D==O;1==(yl)}}}} -\end{verbatim} -typesets the following formula: -\begin{quotation} -\vspace*{4cm} -\pyranose{1Sa==H;2Sb==H;2Sa==OH;3Sb==H;3Sa==OH;4Sb==HO;% -4Sa==H;5Sb==H;5Sa==CH$_{3}$;% -1Sb==\ryl(8==O){3==% -\steroid{3==(yl);{{10}}==\lmoiety{OHC};{{14}}==OH;% -{{13}}==\lmoiety{H$_{3}$C};{{16}}==OH;% -{{17}}==\fiveheterov[e]{3==O}{4D==O;1==(yl)}}}} -\end{quotation} - -\section{$\backslash$divalenth command} - -The command \verb/\divalenth/ generates a divalent skeleton -with variable length. -\begin{verbatim} -\divalenth{GROUP}{SUBSLIST} -\end{verbatim} -The divalent skeleton is given by -a string of alphabets in the GROUP argument. -The locant number in the GROUP argument is fixed to be zero. -For example, the code -\begin{verbatim} -\divalenth{0==NHCONH}{1==CH$_{3}$;2==CH$_{3}$} -\end{verbatim} -generates a linear formula: -\begin{center} -\divalenth{0==NHCONH}{1==CH$_{3}$;2==CH$_{3}$} -\end{center} - -4,4$^{\prime}$-Methylenedibenzoic acid can be drawn in the same line. -The code -\begin{verbatim} -\divalenth{0==CH$_{2}$}{1==\bzdrh{4==(yl);1==HOOC};2==\bzdrh{1==(yl);4==COOH}} -\end{verbatim} -generates -\begin{center} -\divalenth{0==CH$_{2}$}{1==\bzdrh{4==(yl);1==HOOC};2==\bzdrh{1==(yl);4==COOH}} -\end{center} - -In place of the CH$_{2}$ unit described in the preceding example, -we introduce the O--CH$_{2}$--O unit so as to give -4,4$^{\prime}$-methylenedioxydibenzoic acid. The structurel formula -can be drawn to be -\begin{center} -\divalenth{0==O--CH$_{2}$--O}% -{1==\bzdrh{4==(yl);1==HOOC};2==\bzdrh{1==(yl);4==COOH}} -\end{center} -by means of the code: -\begin{verbatim} -\divalenth{0==O--CH$_{2}$--O}% -{1==\bzdrh{4==(yl);1==HOOC};2==\bzdrh{1==(yl);4==COOH}} -\end{verbatim} -Note that the starting point of the moiety -generated by the code \verb/2==\bzdrh{1==(yl);4==COOH}/ is -automatically shifted so as to accomodate the O--CH$_{2}$--O unit. - - -An additional example of the use of the \verb/\divalenth/ command -is the drawing of -1,6$^{\prime}$-ureylenedi-2-naphthalenesulfonic acid -\begin{quotation} -\vspace*{2cm}\hspace*{4cm} -\divalenth{0==NH--CO--NH}% -{1==\naphdrh{4==(yl);3==SO$_{3}$H};2==\naphdrv{6==(yl);2==SO$_{3}$H}} - -\vspace*{2cm} -\end{quotation} -by means of the code -\begin{verbatim} -\divalenth{0==NH--CO--NH}% -{1==\naphdrh{4==(yl);3==SO$_{3}$H};2==\naphdrv{6==(yl);2==SO$_{3}$H}} -\end{verbatim} - - -$p$-[2-($m$-Carboxyphenoxy)ethyl]benzoic acid is -drawn by the code -\begin{verbatim} -\divalenth{0==O--CH$_{2}$--CH$_{2}$}% -{1==\bzdrh{4==(yl);6==COOH};2==\bzdrh{1==(yl);4==COOH}} -\end{verbatim} -which generates a formula: -\begin{center} -\divalenth{0==O--CH$_{2}$--CH$_{2}$}% -{1==\bzdrh{4==(yl);6==COOH};2==\bzdrh{1==(yl);4==COOH}} - -\vspace*{1cm} -\end{center} -The same structure can be depicted by applying -the ``yl''-function to the \verb/\divalenth/ command. -The code -\begin{verbatim} -\bzdrh{6==COOH;4==% -\divalenth{0==O--CH$_{2}$--CH$_{2}$}{1==(yl);2==\bzdrh{1==(yl);4==COOH}}} -\end{verbatim} -generates the same formula: -\begin{center} -\bzdrh{6==COOH;4==% -\divalenth{0==O--CH$_{2}$--CH$_{2}$}{1==(yl);2==\bzdrh{1==(yl);4==COOH}}} - -\vspace*{1cm} -\end{center} -This type of usage gives an equivalent function of -the command \verb/\ryl/ or \verb/\lyl/. Compare this with -an example using the \verb/\ryl/ command: -\begin{verbatim} -\bzdrh{6==COOH;4==% -\ryl(4==O--CH$_{2}$--CH$_{2}$){4==\bzdrh{1==(yl);4==COOH}}} -\end{verbatim} -This code gives the same formula: -\begin{center} -\bzdrh{6==COOH;4==% -\ryl(4==O--CH$_{2}$--CH$_{2}$){4==\bzdrh{1==(yl);4==COOH}}} -\end{center} - -\section{Remarks} - -The use of \verb/\divalenth/ with a ``yl''-function has -no means of adjusting the left-hand point of linking. -For example, the code, -\begin{verbatim} -\bzdrv{2==COOH;4==% -\divalenth{0==O--CH$_{2}$--CH$_{2}$}{1==(yl);2==\bzdrh{1==(yl);4==COOH}}} -\end{verbatim} -give an insufficient formula: -\begin{center} -\bzdrv{2==COOH;4==% -\divalenth{0==O--CH$_{2}$--CH$_{2}$}{1==(yl);2==\bzdrh{1==(yl);4==COOH}}} - -\vspace*{1cm} -\end{center} -where the left-hand point of linking should be shifted to -a more appropiate direction. On the other hand, -the \verb/\ryl/ (or \verb/\lyl/) command can correctly -specify the left-hand point of linking. Thus the code, -\begin{verbatim} -\bzdrv{2==COOH;4==% -\ryl(0==O--CH$_{2}$--CH$_{2}$){4==\bzdrh{1==(yl);4==COOH}}} -\end{verbatim} -typesets a formula: -\begin{center} -\bzdrv{2==COOH;4==% -\ryl(0==O--CH$_{2}$--CH$_{2}$){4==\bzdrh{1==(yl);4==COOH}}} - -\vspace*{1cm} -\end{center} -where the code \verb/0==O--CH$_{2}$--CH$_{2}$/ specifies -the left-hand terminal of the unit O--CH$_{2}$--CH$_{2}$ -is linked at the upper point of the oxygen atom. - - -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\chapter{Ring Fusion} - -\section{Ring Fusion on Carbocyclic Compounds} -\subsection{Designation of Fused Bonds} - -A unit to be fused is written in the BONDLIST of a command with -a bond specifier (a lowercase or uppercase alphabet). -For example, the code -\begin{verbatim} -\hanthracenev[{A\sixfusev{}{}{d}}]{} -\end{verbatim} -gives a perhydroanthracene with a fused six-membered ring -at the bond `a' of the perhydroanthracene nucleus: -\begin{quotation} -\vskip1cm -\hanthracenev[{A\sixfusev{}{}{d}}]{} -\end{quotation} -The letter `A' of the code -\verb/{A\sixfusev{}{}{d}}/ is a bond specifier that represents -the older terminal of the bond `a' of the -perhydroanthracene nucleus -(For the designation of the bonds of perhydroanthracene, -see Chapter 5 of the \XyMTeX book.% -%``\XyMTeX{}---Typesetting Chemical -%Structural Formulas'' (Addison-Wesley Publishers Japan, 1997).% -\footnote{% -The word `older' or `younger' is concerned with the order of numbering -of vertices. For a six-membered ring, the numbering -1---2---3---4---5---6---1 shows that -the terminal 1 of the -bond `a' (1---2) is youger, while the terminal 2 of the bond -`a' is older. It should be noted that the terminal 6 of the -bond `f' (6---1) is youger, while the terminal 1 of the bond -`f' is older.} -Note that the younger -terminal of the bond `a' is designated by the letter `a'. -On the other hand, -the code \verb/\sixfusev{}{}{d}/ of \verb/{A\sixfusev{}{}{d}}/ -in the BONDLIST represents the fused six-membered ring -with the bond `d' omitted. The letter `d' indicates -that the fusing point of the unit is the youger terminal -of the omitted bond `d'. If the the fusing point of the unit -is the other (older) terminal, the -corresponding uppercase letter `D' should be used. - -Accordingly, the same formula can be drawn by the -code exchanging uppercase and lowercase letters, -\begin{verbatim} -\hanthracenev[{a\sixfusev{}{}{D}}]{} -\end{verbatim} -Thereby, we have -\begin{quotation} -\vskip1cm -\hanthracenev[{a\sixfusev{}{}{D}}]{} -\end{quotation} - -Two or more rings can be fused. For example, -the code -\begin{verbatim} -\hanthracenev[{A\sixfusev{}{}{d}}{C\sixfusev{}{}{f}}]{} -\end{verbatim} -generates a formula with two fused rings at the -bonds `a' and `c' of a perhydroanthracene nucleus. -\begin{quotation} -\vskip1cm -\hanthracenev[{A\sixfusev{}{}{d}}{C\sixfusev{}{}{f}}]{} - -\vskip1cm -\end{quotation} - -The BONDLIST can accomodates usual bond specifiers without -a fusing unit in order to designate inner double bonds. -For example, the code -\begin{verbatim} -\hanthracenev[aco{A\sixfusev[a]{}{}{d}}]{} -\end{verbatim} -gives a hydroanthracene that have inner double bonds -as well as a fused six-membered ring: -\begin{quotation} -\vskip1cm -\hanthracenev[aco{A\sixfusev[a]{}{}{d}}]{} -\end{quotation} -Note that the command \verb/\sixfusev/ can take -an optional argument to designate inner double bonds, -as shown by the code \verb/\sixfusev[a]{}{}{d}/. - -In order to specify substituents in addition, -we can use the SUBSLIST of the command \verb/\hanthracenev/ as well -as the one of the command \verb/\sixfusev/. For example, the code -\begin{verbatim} -\hanthracenev[aco{A\sixfusev[a]{}{1==F;2==Cl}{d}}]{5==OH;6==HO} -\end{verbatim} -gives a hydroanthracene having additional substituents: -\begin{quotation} -\vspace*{1cm} -\hanthracenev[aco{A\sixfusev[a]{}{1==F;2==Cl}{d}}]{5==OH;6==HO} -\end{quotation} - -The compound {\bfseries 13} on page 294 -(Chapter IV-4) of the \XyMTeX book -%``\XyMTeX{}---Typesetting Chemical -%Structural Formulas'' (Addison-Wesley Publishers Japan, 1997) -can alternatively be drawn by applying the -present technique. Thus, the code -\begin{verbatim} -\hanthracenev[achjop{b\sixfusev{}{2==R}{E}}]{% -1==OCH$_{3}$;4==OH;{10}D==O;% -9==\lyl(8==C\rlap{O}){4==CH$_{3}$O}} -\end{verbatim} -gives the following formula: -\begin{quotation} -\hanthracenev[achjop{b\sixfusev{}{2==R}{E}}]{% -1==OCH$_{3}$;4==OH;{10}D==O;% -9==\lyl(8==C\rlap{O}){4==CH$_{3}$O}} -\end{quotation} - - -\section{Ring Fusion on Heterocyclic Compounds} - -The methodology of ring fusion for heterocyclic compounds -is the same as described for carbocyclic compounds. -Thus, a unit to be fused is written in the BONDLIST of -a command with a bond specifier (a lowercase or uppercase alphabet). -For example, the code -\begin{verbatim} -\nonaheterov[begj{b\sixfusev[ac]{}{}{e}}]{1==N}{1==H} -\end{verbatim} -gives the structural formula of carbazole: -\begin{quotation} -\nonaheterov[begj{b\sixfusev[ac]{}{}{e}}]{1==N}{1==H} -\end{quotation} -which is depicted by attaching a six-membered ring -(\verb/\sixfusev[ac]{}{}{e}}/) -to the bond `b' of an indole nucleus. - -Let us consider the substitution of a carbon atom -with a nitrogen atom at one of the fused positions -in the above compound, as shown by the following formula: -\begin{quotation} -\nonaheterov[begj{b\sixfusev[ac]{6==\null}{}{e}}]{1==N;3==N}{1==H} -\end{quotation} -This formula is obtained by writing the code: -\begin{verbatim} -\nonaheterov[begj{b\sixfusev[ac]{6==\null}{}{e}}]{1==N;3==N}{1==H} -\end{verbatim} -where the code \verb/6==\null/ in the ATOMLIST of -\verb/\sixfusev/ (for the fused six-membered ring) -and the code \verb/3==N/ in the ATOMLIST of -\verb/\nonaheterov/ produces the nitrogen -atom at the fused position. -The specification of the nitrogen atom -is also available by exchanging \verb/\null/ and \verb/N/. -Thus the code -\begin{verbatim} -\nonaheterov[begj{b\sixfusev[ac]{6==N}{}{e}}]{1==N;3==\null}{1==H} -\end{verbatim} -gives the same structural formula: -\begin{quotation} -\nonaheterov[begj{b\sixfusev[ac]{6==N}{}{e}}]{1==N;3==\null}{1==H} -\end{quotation} - -The ring fusion at the bond `a' of perhydroindole -is represented by the code -\begin{verbatim} -\nonaheterov[{a\sixfusev{6==\null}{}{f}}]{1==N}{} -\end{verbatim} -which gives a heterocycle: -\begin{quotation} -\nonaheterov[{a\sixfusev{6==\null}{}{f}}]{1==N}{} -\end{quotation} - - - -Benz[{\itshape h}]isoquinoline, -\begin{quotation} -\vspace*{1cm} -\decaheterovt[acfhk{h\sixfusev[df]{}{}{B}}]{2==N}{} -\end{quotation} -can be typset by the code, -\begin{verbatim} -\decaheterovt[acfhk{h\sixfusev[df]{}{}{B}}]{2==N}{} -\end{verbatim} -in which the bond specifier `h' corresponds to -the {\itshape h} of the IUPAC name. -Note that the IUPAC name regards the structure as -an isoquinoline (drawn by \verb/\decaheterovt/) fused by a benzo moiety. -The same structure -can be drawn by the alternative code: -\begin{verbatim} -\decaheterov[acfhk{a\sixfusev[bf]{1==N}{}{D}}]{}{} -\end{verbatim} -which regards the structure as a naphthalene (drawn by -\verb/\decaheterov/) with -a fused heterocycle. Thereby, we have - \begin{quotation} -\vspace*{1cm} -\decaheterov[acfhk{a\sixfusev[bf]{1==N}{}{D}}]{}{} -\end{quotation} - -\section{Neted Ring Fusion} - -The \verb/\sixfusev/ command is capable of -accomodating another \verb/\sixfusev/ command in -a nested fashion. By this technique, -the carbazole structure can take a further -fused ring so as to produce the structural formula -of 7{\itshape H}-pyrazino[2,3-{\itshape c}]carbaozole. -Thus, the code, -\begin{verbatim} -\nonaheterov[begj{b\sixfusev[% -ac{a\sixfusev[bf]{6==N;3==N}{}{D}}]{}{}{e}}]{1==N}{1==H} -\end{verbatim} -gives the structural formula of the fused heterocycle: -\begin{quotation} -\vspace*{1cm} -\nonaheterov[begj{b\sixfusev[% -ac{a\sixfusev[bf]{6==N;3==N}{}{D}}]{}{}{e}}]{1==N}{1==H} -\end{quotation} -which is depicted by attaching a six-membered ring -(\verb/\sixfusev[ac]{}{}{e}}/) -to the bond `b' of an indole nucleus. - -The structural formula of -pyrido[1$^{\prime}$,2$^{\prime}$:1,2]imidazo[4,5-{\itshape b}]quinoxaline, -\begin{center} -\nonaheterov[adh% -{b\sixfusev[ac]{6==\null}{}{e}}% -{f\sixfusev[ace]{}{}{b}}]{1==N;3==N;4==N;7==N}{} -\end{center} -is generated by the code, -\begin{verbatim} -\nonaheterov[adh% -{b\sixfusev[ac]{6==\null}{}{e}}% -{f\sixfusev[ace]{}{}{b}}]{1==N;3==N;4==N;7==N}{} -\end{verbatim} -Since this code is intended to contain no nested ring fusion, -the order of structure construction is different -from that of the IUPAC name. - -The IUPAC name, -pyrido[1$^{\prime}$,2$^{\prime}$:1,2]imidazo[4,5-{\itshape b}]quinoxaline, -corresponds to a quinaxaline with a fused five-membered ring (an imidazo -moiety) which is in turn fused by a six-membered ring (a pyrido moiety). -The order of constructing the IUPAC name is realized in the code -with nested ring fusion, -\begin{verbatim} -\decaheterov[acegi% -{b\fivefusev[a{b\sixfusev[ac]{6==\null}{}{e}}]{1==N;3==N}{}{d}}] -{1==N;4==N}{} -\end{verbatim} -which produces the same structure, -\begin{center} -\decaheterov[acegi% -{b\fivefusev[a{b\sixfusev[ac]{6==\null}{}{e}}]{1==N;3==N}{}{d}}] -{1==N;4==N}{} -\end{center} - -Note that the indicators `1$^{\prime}$,2$^{\prime}$' and `1,2'of -the locant [1$^{\prime}$,2$^{\prime}$:1,2] in the IUPAC name -correspond respectively to the -bond specifiers , `E' and `b', appeared in the code, -\verb/{b\sixfusev[ac]{6==\null}{}{E}}/. -On the other hand, the indicators, -`4,5' and `{\itshape b}' of of the locant [4,5-{\itshape b}] -are respectively associated with -the specifiers, `d' and `b', appeared in the code, -\verb/{b\fivefusev[...]{1==N;3==N}{}{d}}/. - -An alkaloid with a coryanthe skeleton -(R. T. Brown and C. L. Chapple, {\itshape Chem. Commun.}, -1973, 887) can be typeset by the code with nested fusion, -\begin{verbatim} -\nonaheterov[begj{b\sixfusev[% -{c\sixfusev{1==\null}{3SB==H;3SA==Et;% -4GA==H;% -4B==\dimethylenei[a]{}{1==(yl);2W==OMe;1W==MeOCO}}{F}}]% -{3==N}{4GB==H;2B==COOMe}{e}}]{1==N}{1==H} -\end{verbatim} -where a six-five ring drawn by the command \verb/\nonaheterov/ -is regarded as a mother skeleton. Thus, we have -\begin{quotation} -\nonaheterov[begj{b\sixfusev[% -{c\sixfusev{1==\null}{3SB==H;3SA==Et;% -4GA==H;% -4B==\dimethylenei[a]{}{1==(yl);2W==OMe;1W==MeOCO}}{F}}]% -{3==N}{4GB==H;2B==COOMe}{e}}]{1==N}{1==H} -\vspace*{2cm} -\end{quotation} -For the command \verb/\dimethylenei/, see the chapter at issue. - -When a six-six ring drawn by the command \verb/\decaheterovb/ -is regarded as a mother skeleton, as shown in the code with -another nested ring fusion, -\begin{verbatim} -\decaheterovb[f{f\fivefusev[d{d\sixfusev[df]{}{}{b}}]% -{1==N}{1==H}{b}}]{8a==N}{9B==H;2SA==Et;2SB==H;8B==COOMe;% -3GA==H;% -3B==\dimethylenei[a]{}{1==(yl);2W==OMe;1W==MeOCO}} -\end{verbatim} -we find another way of drawing the same structural formula, -\begin{center} -\decaheterovb[f{f\fivefusev[d{d\sixfusev[df]{}{}{b}}]% -{1==N}{1==H}{b}}]{8a==N}{9B==H;2SA==Et;2SB==H;8B==COOMe;% -3GA==H;% -3B==\dimethylenei[a]{}{1==(yl);2W==OMe;1W==MeOCO}} - -\vspace*{1cm} -\end{center} - -The following example shows a code with complicated -nested structure: -\begin{verbatim} -\cyclohexanev[% -{a\sixfusev[{b\sixfusev[{c\sixfusev[{c\sixfusev[% -{d\sixfusev[{d\sixfusev[{d\sixfusev[% -{e\sixfusev[{e\sixfusev[{e\sixfusev[{e\sixfusev[% -{f\sixfusev[{f\sixfusev[]{}{}{C}}]{}{}{C}}% -]{}{}{B}}]{}{}{B}}]{}{}{B}}]{}{}{B}}% -]{}{}{A}}]{}{}{A}}]{}{}{A}}]{}{}{F}}% -]{}{}{F}}]{}{}{E}}]{}{}{D}}% -{c\sixfusev[{d\sixfusev[{e\sixfusev[{e\sixfusev[% -{f\sixfusev[{f\sixfusev[{f\sixfusev[% -{a\sixfusev[{a\sixfusev[{a\sixfusev[{a\sixfusev[% -{b\sixfusev[{b\sixfusev[]{}{}{E}}]{}{}{E}}% -]{}{}{D}}]{}{}{D}}]{}{}{D}}]{}{}{D}}% -]{}{}{C}}]{}{}{C}}]{}{}{C}}]{}{}{B}}% -]{}{}{B}}]{}{}{A}}]{}{}{F}}% -{e\sixfusev[{f\sixfusev[{a\sixfusev[{a\sixfusev[% -{b\sixfusev[{b\sixfusev[{b\sixfusev[% -{c\sixfusev[{c\sixfusev[{c\sixfusev[{c\sixfusev[% -{d\sixfusev[{d\sixfusev[]{}{}{A}}]{}{}{A}}% -]{}{}{F}}]{}{}{F}}]{}{}{F}}]{}{}{F}}% -]{}{}{E}}]{}{}{E}}]{}{}{E}}]{}{}{D}}% -]{}{}{D}}]{}{}{C}}]{}{}{B}}% -]{} -\end{verbatim} -This code generates a multiply fused formula: - -\clearpage - -\begin{center} -\vspace*{8cm} -\cyclohexanev[% -{a\sixfusev[{b\sixfusev[{c\sixfusev[{c\sixfusev[% -{d\sixfusev[{d\sixfusev[{d\sixfusev[% -{e\sixfusev[{e\sixfusev[{e\sixfusev[{e\sixfusev[% -{f\sixfusev[{f\sixfusev[]{}{}{C}}]{}{}{C}}% -]{}{}{B}}]{}{}{B}}]{}{}{B}}]{}{}{B}}% -]{}{}{A}}]{}{}{A}}]{}{}{A}}% -]{}{}{F}}% -]{}{}{F}}]{}{}{E}}]{}{}{D}}% -{c\sixfusev[{d\sixfusev[{e\sixfusev[{e\sixfusev[% -{f\sixfusev[{f\sixfusev[{f\sixfusev[% -{a\sixfusev[{a\sixfusev[{a\sixfusev[{a\sixfusev[% -{b\sixfusev[{b\sixfusev[]{}{}{E}}]{}{}{E}}% -]{}{}{D}}]{}{}{D}}]{}{}{D}}]{}{}{D}}% -]{}{}{C}}]{}{}{C}}]{}{}{C}}% -]{}{}{B}}% -]{}{}{B}}]{}{}{A}}]{}{}{F}}% -{e\sixfusev[{f\sixfusev[{a\sixfusev[{a\sixfusev[% -{b\sixfusev[{b\sixfusev[{b\sixfusev[% -{c\sixfusev[{c\sixfusev[{c\sixfusev[{c\sixfusev[% -{d\sixfusev[{d\sixfusev[]{}{}{A}}]{}{}{A}}% -]{}{}{F}}]{}{}{F}}]{}{}{F}}]{}{}{F}}% -]{}{}{E}}]{}{}{E}}]{}{}{E}}% -]{}{}{D}}% -]{}{}{D}}]{}{}{C}}]{}{}{B}}% -]{} -\end{center} - - - -\clearpage - - - -\section{Remarks} - -\subsection{OPT Arguments} - -It should be noted that the OPT arguments of -such commands as \verb/\bzdrv/, \verb/\naphdrv/, -and \verb/\anthracenev/ cannot be used -for the ring-fusion technique. In place of the OPT argument, -the BONDLIST argument of the corresponding general -command, e.g. \verb/\cyclohexanev/ or \verb/\sixheterov/ -correspoding to \verb/\bzdrv/, -should be used for the purpose of ring fusion. . -For example, a bezene ring of the formula, -\begin{center} -\vspace*{1cm} -\cyclohexanev[ace{a\sixfusev{}{}{D}}]{} -\end{center} -should be drawn by using the \verb/\cyclohexanev/ command, -as shown in the code: -\begin{verbatim} -\cyclohexanev[ace{a\sixfusev{}{}{D}}]{} -\end{verbatim} - -\subsection{\protect\XyMTeX{} Warning} - -An incorrect result due to -a wrong specification of a fused bond is -notified by a \XyMTeX{} warning. -For example, the code, -\begin{verbatim} -\hanthracenev[{a\sixfusev{}{}{d}}]{} -\end{verbatim} -gives a formula of wrong fusion: -\begin{center} -\vspace*{2cm} -\hanthracenev[{a\sixfusev{}{}{d}}]{} -\end{center} -According to this wrong situation, -a \XyMTeX{} warning appears in a display or in a log file, e.g., -\begin{verbatim} - XyMTeX Warning: Mismatched fusion at bond `a, i, or other' - on input line 1904 -\end{verbatim} -There are two ways to correct the wrong fusion and, -as a result, to avoid such a \XyMTeX{} warning. -First, the code -\begin{verbatim} -\hanthracenev[{A\sixfusev{}{}{d}}]{} -\end{verbatim} -in which the acceptor bond specifier `a' is changed into `A', -gives a correct result, as found in the top example of -this chapter. Alternatively, -the donor bond specifier `d' can be changed into `D'. -Thus, the code, -\begin{verbatim} -\hanthracenev[{a\sixfusev{}{}{D}}]{} -\end{verbatim} -also typesets the second formula with correct fusion. - - -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\chapter{Fusing Units} - -The commands described in this chapter are stored in -the {\sf fusering} package (file name: fusering.sty). - -\section{Six-membered Fusing Units} -\subsection{Vertical Units of Normal and Inverse Types} -In \XyMTeX{} version 1.01, we can use \verb/\sixunitv/ -and \verb/\fiveunitv/ as building blocks, where -one or more bonds can be omitted. -In the present version, we prepare -such commands as \verb/\sixfusev/ an \verb/\sixfusevi/, -producing building blocks with only one deleted bond. -These commands can be used in the BONDLIST of another -command so as to give a fused structural formula, -as described in the preceding chapter. -The commands \verb/\sixfusev/ and \verb/\sixfusevi/ have formats -represented by -\begin{verbatim} -\sixfusev[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE} -\sixfusevi[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE} -\end{verbatim} -where the argument FUSE is an alphabetical character (a--f) -or the uppercase counterpart (A--F), -each of which is a bond specifier representing one bond to be omitted. -A lowercase character (a--f) represents the younger terminal of -the omitted bond. -The corresponding uppercase character (A--F) designates -the other terminal of the bond to be omitted. -The other arguments have the same formats as described -in the general conventions (see \XyMTeX book). -The locant numbers and the bond specifiers of -the command \verb/\sixfusev/ correspond to -those of the command \verb/\sixheterov/ (see \XyMTeX book). -The command \verb/\sixfusevi/ is the inverse counterpart -of \verb/\sixfusev/ and corresponds to the command \verb/\sixheterovi/. -Moreover, the BONDLIST is capbable of -accormodating the ring-fusion function described -in the preseding chapter, -the ATOMLIST can accomodate the spiro-ring function -described afterward, and -the SUBSLIST serves a method producing subsituents (``yl''-function) -describe previously. - -For example, the last argument `F' of the \verb/\sixfusev/ -appearing in the code, -\begin{verbatim} -\sixfusev[]{1==\null}% -{3==C$_2$H$_5$;4==CH$_2$COOC$_2$H$_5$}{F} -\end{verbatim} -results in the deletion of the bond `f' between atom no.~6 (youger -teminal) and atom no.~1 (older terminal) from a hexagon, -typesetting the following building block: -\begin{center} -\sixfusev[]{1==\null}{3==C$_2$H$_5$;4==CH$_2$COOC$_2$H$_5$}{F} - -\vspace*{3cm} -\end{center} -where the reference point for superposition is -the older terminal (i.e. atom no.~1) of the bond `f'. -The code \verb/1==\null/ gives a vacancy at the position of atom no.~1. -When the building block is used in the BONDLIST of -the \verb/\decaheterov/, as shown in the code, -\begin{verbatim} -\decaheterov[fhk% -{c\sixfusev[]{1==\null}% -{3==C$_2$H$_5$;4==CH$_2$COOC$_2$H$_5$}{F}}]{3==N}{6==CH$_3$O;7==CH$_3$O} -\end{verbatim} -we have the following structure, -\begin{center} -\decaheterov[fhk% -{c\sixfusev[]{1==\null}% -{3==C$_2$H$_5$;4==CH$_2$COOC$_2$H$_5$}{F}}]{3==N}{6==CH$_3$O;7==CH$_3$O} -\vspace*{2cm} -\end{center} - -The last argument `F' of the \verb/\sixfusev/ -can be changed into `f', as found in the code, -\begin{verbatim} -\decaheterovi[fhk% -{a\sixfusev[]{1==\null}% -{3==C$_2$H$_5$;4==CH$_2$COOC$_2$H$_5$}{f}}]{2==N}{6==CH$_3$O;7==CH$_3$O} -\end{verbatim} -where we use \verb/\decaheterovi/ in place of -\verb/\decaheterov/ for drawing the bicyclic mother skeleton. -Thereby, we have the following structure, -\begin{center} -\decaheterovi[fhk% -{a\sixfusev[]{1==\null}% -{3==C$_2$H$_5$;4==CH$_2$COOC$_2$H$_5$}{f}}]{2==N}{6==CH$_3$O;7==CH$_3$O} -\vspace*{2cm} -\end{center} - -The vertically opposite formula can be drawn by the combination of -\verb/\sixfusevi/ and \verb/\decaheterovi/ with no other changes -of designation (in comparison with the first code of this -section), i.e. -\begin{verbatim} -\decaheterovi[fhk% -{c\sixfusevi[]{1==\null}% -{3==C$_2$H$_5$;4==CH$_2$COOC$_2$H$_5$}{F}}]{3==N}{6==CH$_3$O;7==CH$_3$O} -\end{verbatim} -Thereby we have -\begin{center} -\vspace*{2cm} -\decaheterovi[fhk% -{c\sixfusevi[]{1==\null}% -{3==C$_2$H$_5$;4==CH$_2$COOC$_2$H$_5$}{F}}]{3==N}{6==CH$_3$O;7==CH$_3$O} -\end{center} - -\subsection{Horizontal Units of Normal and Inverse Types} - -For drawing horizontal fusing units, -we can use the commands \verb/\sixfuseh/ and \verb/\sixfusehi/, -which are represented by -\begin{verbatim} -\sixfuseh[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE} -\sixfusehi[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE} -\end{verbatim} - -The horizontal formula of normal type related to the tricyclic -formulas described in the preceding subsection -can be drawn by the combination of -\verb/\sixfuseh/ and \verb/\decaheteroh/ with few changes -of designation (CH$_{3}$O to OCH$_{3}$), i.e. -\begin{verbatim} -\decaheteroh[fhk% -{c\sixfuseh[]{1==\null}% -{3==C$_2$H$_5$;4==CH$_2$COOC$_2$H$_5$}{F}}]{3==N}{6==OCH$_3$;7==OCH$_3$} -\end{verbatim} -which typsets the following structure, -\begin{center} -\vspace*{1cm} -\decaheteroh[fhk% -{c\sixfuseh[]{1==\null}% -{3==C$_2$H$_5$;4==CH$_2$COOC$_2$H$_5$}{F}}]{3==N}{6==OCH$_3$;7==OCH$_3$} -\end{center} - -The horizontally opposite formula can be drawn by the combination of -\verb/\sixfusehi/ and \verb/\decaheterohi/ with -slight changes concerning the handedness of subsitutents, i.e. -\begin{verbatim} -\decaheterohi[fhk% -{c\sixfusehi[]{1==\null}% -{3==C$_2$H$_5$;4==C$_2$H$_5$OCOCH$_2$}{F}}]{3==N}{6==OCH$_3$;7==OCH$_3$} -\end{verbatim} -Thereby we have -\begin{center} -\vspace*{1cm} -\decaheterohi[fhk% -{c\sixfusehi[]{1==\null}% -{3==C$_2$H$_5$;4==C$_2$H$_5$OCOCH$_2$}{F}}]{3==N}{6==OCH$_3$;7==OCH$_3$} -\end{center} - -\section{Five-membered Fusing Units} -\subsection{Vertical Units of Normal and Inverse Types} -To obtain a vertical five-membered building block, -we can use \verb/\fivefusev/ and \verb/\fivefusevi/: -\begin{verbatim} -\fivefusev[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE} -\fivefusevi[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE} -\end{verbatim} -where the argument FUSE is an alphabetical character (a--e) -or the uppercase counterpart (A--E), -each of which is a bond specifier representing one bond to be omitted. -The other specifications have the same formats -as found in the preceding section. - -The following example (left) gives the use of the \verb/\fivefusevi/ -command by itself, where its SUBSLIST contains some substituents: -\begin{verbatim} -\fivefusevi{4==O}{2D==;3D==O}{E} \hskip 3cm -\fivefusevi{4==O}{1GA==H;5GB==H;2D==;3D==O}{E} -\end{verbatim} -\begin{center} -%\vspace*{1cm} -\fivefusevi{4==O}{2D==;3D==O}{E} \hskip 3cm -\fivefusevi{4==O}{1GA==H;5GB==H;2D==;3D==O}{E} - -\vspace*{2cm} -\end{center} -To show hydrogen substitution at the fused positions, we -add the designation of \verb/1GA==H;5GB==H/ to the -SUBSLIST of the \verb/\fivefusevi/ command (right above). -Then, the latter code is written in the BONDLIST of -a command \verb/\decalinev/, as found in the code: -\begin{verbatim} -\decalinev[h{c\fivefusevi{4==O}{1GA==H;5GB==H;2D==;3D==O}{E}}]% -{6D==O;5A==;0FB==;0GA==H} -\end{verbatim} -Thereby, we obtain -\begin{center} -\decalinev[h{c\fivefusevi{4==O}{1GA==H;5GB==H;2D==;3D==O}{E}}]% -{6D==O;5A==;0FB==;0GA==H} - -\vspace*{1cm} -\end{center} - -Fusing units such as \verb/\fivefusev/ -can be multiply nested in itself and in other types of fusing units. -The following example shows such a trebly-nested case. -\begin{verbatim} -\decaheterovi[AB% -{b\fivefusev[{a\sixfusev[ce% -{c\sixfusev{3==O}{4D==O;5SB==HO;5SA==Et}{F}}]{1==\null}{2D==O}{f}}]% -{2==N}{}{D}}]{1==N}{} -\end{verbatim} -\begin{quotation} -\decaheterovi[AB% -{b\fivefusev[{a\sixfusev[ce% -{c\sixfusev{3==O}{4D==O;5SB==HO;5SA==Et}{F}}]{1==\null}{2D==O}{f}}]% -{2==N}{}{D}}]{1==N}{} - -\vspace*{2cm} -\end{quotation} - -When all of the commands in the above code are -changed into the inverse counterparts -(\verb/\decaheterovi/ to \verb/\decaheterov/; -\verb/\fivefusev/ and \verb/\fivefusevi/; and -\verb/\sixfusev/ to \verb/\sixfusevi/), -the code is transformed into another code, -\begin{verbatim} -\decaheterov[AB% -{b\fivefusevi[{a\sixfusevi[ce% -{c\sixfusevi{3==O}{4D==O;5SB==HO;5SA==Et}{F}}]{1==\null}{2D==O}{f}}]% -{2==N}{}{D}}]{1==N}{} -\end{verbatim} -Thereby, we can obtain the formula of vertically inverse type. -\begin{quotation} -\vspace*{2cm} -\decaheterov[AB% -{b\fivefusevi[{a\sixfusevi[ce% -{c\sixfusevi{3==O}{4D==O;5SB==HO;5SA==Et}{F}}]{1==\null}{2D==O}{f}}]% -{2==N}{}{D}}]{1==N}{} -\end{quotation} - -\subsection{Horizontal Units of Normal and Inverse Types} -Horizontal five-membered building block are -obtained by using \verb/\fivefuseh/ and \verb/\fivefusehi/: -\begin{verbatim} -\fivefuseh[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE} -\fivefusehi[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE} -\end{verbatim} -where the argument FUSE is an alphabetical character (a--e) -or the uppercase counterpart (A--E), -each of which is a bond specifier representing one bond to be omitted. -The other specifications have the same formats -as found in the preceding section. - -The example given for \verb/\fivefusevi/ is -changed into the one using the horizontal counterpart \verb/\fivefusehi/: -\begin{verbatim} -\decalineh[h{c\fivefusehi{4==O}{1GA==H;5GB==H;2D==;3D==O}{E}}]{5A==;6D==O} -\end{verbatim} -\begin{center} -\vspace*{1cm} -\decalineh[h{c\fivefusehi{4==O}{1GA==H;5GB==H;2D==;3D==O}{E}}]{5A==;6D==O} -\end{center} -Note that no changes of other designation are necessary except that -\verb/\decalineh/ and \verb/\fivefusehi/ are used -in place of the vertical counterpart described above. - -The multiply nested example described above for drawing -a structure of vertical type can be changed into -the corresponding one of horizontal type, -if all of the commmands are changed into horizontal types -(\verb/\decaheterovi/ to \verb/\decaheterohi/; -\verb/\fivefusev/ to \verb/\fivefuseh/; and -\verb/\sixfusev/ to \verb/\sixfuseh/). - -\begin{verbatim} -\decaheterohi[AB% -{b\fivefuseh[{a\sixfuseh[ce% -{c\sixfuseh{3==O}{4D==O;5SB==OH;5SA==Et}{F}}]{1==\null}{2D==O}{f}}]% -{2==N}{}{D}}]{1==N}{} -\end{verbatim} -\begin{quotation} -\vspace*{2cm}\hspace*{4cm} -\decaheterohi[AB% -{b\fivefuseh[{a\sixfuseh[ce% -{c\sixfuseh{3==O}{4D==O;5SB==OH;5SA==Et}{F}}]{1==\null}{2D==O}{f}}]% -{2==N}{}{D}}]{1==N}{} -\end{quotation} - -When all the commands in the above code are -changed into the inverse counterparts -(\verb/\decaheterohi/ to \verb/\decaheteroh/; -\verb/\fivefuseh/ and \verb/\fivefusehi/; and -\verb/\sixfuseh/ to \verb/\sixfusehi/), -the code is transformed into another code, -\begin{verbatim} -\decaheteroh[AB% -{b\fivefusehi[{a\sixfusehi[ce% -{c\sixfusehi{3==O}{4D==O;5SB==HO;5SA==Et}{F}}]{1==\null}{2D==O}{f}}]% -{2==N}{}{D}}]{1==N}{} -\end{verbatim} -Thereby, we can obtain the formula of horizontally inverse type. -\begin{quotation} -\vspace*{2cm}\hspace*{4cm} -\decaheteroh[AB% -{b\fivefusehi[{a\sixfusehi[ce% -{c\sixfusehi{3==O}{4D==O;5SB==HO;5SA==Et}{F}}]{1==\null}{2D==O}{f}}]% -{2==N}{}{D}}]{1==N}{} -\end{quotation} - -\section{Four-membered Fusing Units} - -To obtain a four-membered building block, -we can use \verb/\fourfuse/: -\begin{verbatim} -\fourfuse[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE} -\end{verbatim} -where the argument FUSE is an alphabetical character (a--d) -or the uppercase counterpart (A--D), -each of which is a bond specifier representing one bond to be omitted. -The assignment of characters (a to d) and locants (1 to 4) -for the command \verb/\fourhetero/ is applied -in the same way to this case. -The other specifications have the same formats -as those of the command \verb/\fourhetero/. - -For example, the code, -\begin{verbatim} -\sixheterov[{e\fourfuse{}{}{b}}]{}{} -\sixheterov[{b\fourfuse{}{}{d}}]{}{} -\sixheteroh[{b\fourfuse{}{}{a}}]{}{} -\sixheteroh[{e\fourfuse{}{}{c}}]{}{} -\end{verbatim} -produces the following structural formulas. -\begin{center} -\sixheterov[{e\fourfuse{}{}{b}}]{}{} -\sixheterov[{b\fourfuse{}{}{d}}]{}{} -\sixheteroh[{b\fourfuse{}{}{a}}]{}{} -\sixheteroh[{e\fourfuse{}{}{c}}]{}{} -\end{center} - -A hetero atom at a fused position is designated in the ATOMLIST -of \verb/\fourfuse/, which is associated the code \verb/\null/ -in the ATOMLIST of a command for drawing a mother skeleton. -For example, the code -\begin{verbatim} -\sixheterov[{e\fourfuse{3==N}{}{b}}]{6==\null}{} -\sixheterov[{b\fourfuse{4==N}{}{d}}]{2==\null}{} -\sixheteroh[{b\fourfuse{2==N}{}{a}}]{3==\null}{} -\sixheteroh[{e\fourfuse{3==N}{}{c}}]{5==\null}{} -\end{verbatim} -produces the following structural formulas. -\begin{center} -\sixheterov[{e\fourfuse{3==N}{}{b}}]{6==\null}{} -\sixheterov[{b\fourfuse{4==N}{}{d}}]{2==\null}{} -\sixheteroh[{b\fourfuse{2==N}{}{a}}]{3==\null}{} -\sixheteroh[{e\fourfuse{3==N}{}{c}}]{5==\null}{} -\end{center} - -Penicillin G can be drawn by using the \verb/\fourfuse/ command -in the code, -\begin{verbatim} -\fiveheterovi[{d\fourfuse{2==\null}{1D==O;4Su==PhCH$_{2}$CONH;4Sd==H}{b}}]% -{1==S;4==N}{2Sa==CH$_{3}$;2Sb==CH$_{3}$;3SA==COOH;3SB==H;5GA==H} -\end{verbatim} -which typeset the following formula: -\begin{center} -\fiveheterovi[{d\fourfuse{2==\null}{1D==O;4Su==PhCH$_{2}$CONH;4Sd==H}{b}}]% -{1==S;4==N}{2Sa==CH$_{3}$;2Sb==CH$_{3}$;3SA==COOH;3SB==H;5GA==H} -\end{center} - -\section{Three-membered Fusing Units} -\subsection{Vertical Units of Normal and Inverse Types} -To obtain three-membered building blocks of -vertical type, we can use \verb/\threefusev/ and \verb/\threefusevi/: -\begin{verbatim} -\threefusev[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE} -\threefusevi[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE} -\end{verbatim} -where the argument FUSE is an alphabetical character (a--c) -or the uppercase counterpart (A--C), -each of which is a bond specifier representing one bond to be omitted. -The assignment of characters (a to c) and locants (1 to 3) -for the command \verb/\threeheterov/ or \verb/\threeheterovi/ is applied -in the same way to this case. -The other specifications have the same formats -as those of the command \verb/\threeheterov/ or \verb/\threeheterovi/. - -For example, the code using \verb/\threefusev/, -\begin{verbatim} -\sixheteroh[{a\threefusev{}{}{a}}]{}{} -\sixheteroh[{e\threefusev{}{}{b}}]{}{} -\sixheteroh[{c\threefusev{}{}{c}}]{}{} -\end{verbatim} -produces the following structural formulas. -\begin{center} -\sixheteroh[{a\threefusev{}{}{a}}]{}{} -\sixheteroh[{e\threefusev{}{}{b}}]{}{} -\sixheteroh[{c\threefusev{}{}{c}}]{}{} -\end{center} -The use of the inverse type is shown in the code, -\begin{verbatim} -\sixheteroh[{F\threefusevi{}{}{a}}]{}{} -\sixheteroh[{B\threefusevi{}{}{b}}]{}{} -\sixheteroh[{D\threefusevi{}{}{c}}]{}{} -\end{verbatim} -which produces the following structural formulas. -\begin{center} -\sixheteroh[{F\threefusevi{}{}{a}}]{}{} -\sixheteroh[{B\threefusevi{}{}{b}}]{}{} -\sixheteroh[{D\threefusevi{}{}{c}}]{}{} -\end{center} - -Hetero-atoms at fused positions can be typeset by designating -ATOMLISTs. For example, the code, -\begin{verbatim} -\sixheteroh[{a\threefusev{1==N}{}{a}}]{1==\null}{} -\sixheteroh[{e\threefusev{2==N}{}{b}}]{5==\null}{} -\sixheteroh[{c\threefusev{3==N}{}{c}}]{3==\null}{} -\end{verbatim} -produces the following structural formulas. -\begin{center} -\sixheteroh[{a\threefusev{1==N}{}{a}}]{1==\null}{} -\sixheteroh[{e\threefusev{2==N}{}{b}}]{5==\null}{} -\sixheteroh[{c\threefusev{3==N}{}{c}}]{3==\null}{} -\end{center} - -\subsection{Horizontal Units of Normal and Inverse Types} -Three-membered building blocks of -horizontal type can be obtained by using -\verb/\threefuseh/ and \verb/\threefusehi/: -\begin{verbatim} -\threefuseh[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE} -\threefusehi[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE} -\end{verbatim} -where the argument FUSE is an alphabetical character (a--c) -or the uppercase counterpart (A--C), -each of which is a bond specifier representing one bond to be omitted. -The assignment of characters (a to c) and locants (1 to 3) -for the command \verb/\threeheteroh/ or \verb/\threeheterohi/ is applied -in the same way to this case. -The other specifications have the same formats -as those of the command \verb/\threeheteroh/ or \verb/\threeheterohi/. - -For example, the code using \verb/\threefuseh/, -\begin{verbatim} -\sixheterov[{F\threefuseh{}{}{a}}]{}{} -\sixheterov[{B\threefuseh{}{}{b}}]{}{} -\sixheterov[{D\threefuseh{}{}{c}}]{}{} -\end{verbatim} -produces the following structural formulas. -\begin{center} -\sixheterov[{F\threefuseh{}{}{a}}]{}{} -\sixheterov[{B\threefuseh{}{}{b}}]{}{} -\sixheterov[{D\threefuseh{}{}{c}}]{}{} -\end{center} -The use of the inverse type is shown in the code, -\begin{verbatim} -\sixheterov[{a\threefusehi{}{}{a}}]{}{} -\sixheterov[{e\threefusehi{}{}{b}}]{}{} -\sixheterov[{c\threefusehi{}{}{c}}]{}{} -\end{verbatim} -which produces the following structural formulas. -\begin{center} -\sixheterov[{a\threefusehi{}{}{a}}]{}{} -\sixheterov[{e\threefusehi{}{}{b}}]{}{} -\sixheterov[{c\threefusehi{}{}{c}}]{}{} -\end{center} - -Hetero-atoms at fused positions can be typeset by designating -ATOMLISTs. For example, the code, -\begin{verbatim} -\sixheterov[{F\threefuseh{1==N}{}{a}}]{1==\null}{} -\sixheterov[{B\threefuseh{2==N}{}{b}}]{3==\null}{} -\sixheterov[{D\threefuseh{3==N}{}{c}}]{5==\null}{} -\end{verbatim} -produces the following structural formulas. -\begin{center} -\sixheterov[{F\threefuseh{1==N}{}{a}}]{1==\null}{} -\sixheterov[{B\threefuseh{2==N}{}{b}}]{3==\null}{} -\sixheterov[{D\threefuseh{3==N}{}{c}}]{5==\null}{} -\end{center} - -An aziridine derivative, -\begin{center} -\sixheterov[{B\threefuseh{1==N}{1==COOC$_{2}$H$_{5}$}{b}}]{}{} -\end{center} -can be drawn by the code, -\begin{verbatim} -\sixheterov[{B\threefuseh{1==N}{1==COOC$_{2}$H$_{5}$}{b}}]{}{} -\end{verbatim} - - -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\chapter{Spiro Rings} -\section{General Conventions for Spiro-Ring Attachment} - -There are several ways for naming spiro compounds -in the light of the IUPAC nomenclature. -Rule A-41.4 allows us to use such a name as -spiro[cyclopentane-1,1$^{\prime}$-indene] -for representing the following structure: -\begin{center} -\vspace*{1cm} -\nonaheterovi[begj]{1s==\fiveheterov{}{1==(yl)}}{} -\end{center} -The same structure is named indene-1-spiro-1$^{\prime}$-cyclohexane -in terms of Rule A-42.1. -Spiro[5.5]undecane, the name due to Rule A-41.1 and A-41.2, -is alternatively referred to as -cyclohexanespirocyclohexane in terms of Rule A-42.1: -\begin{center} -\vspace*{1cm} -\sixheterov[]{1s==\sixheterov[]{}{4==(yl)}}{} -\end{center} -where the `cyclohexanespiro' shows the replacement of a -carbon atom in a cyclohexne by another cyclohexane ring. -These rules essentially have the same methodology as the -IUPAC replacement nomenclature, e.g., -oxacyclohexane (more formally, oxane or tetrahydropyran) -for the formula -\begin{center} -\sixheterov[]{1==O}{} -\end{center} -generated by the code, -\begin{verbatim} -\sixheterov[]{1==O}{} -\end{verbatim} -where the prefix `oxa' shows the replacement of a -carbon atom with an oxygen atom. -Obviously, the prefix `cyclohexanespiro' of the name -`cyclohexanespirocyclohexane' is akin to -the prefix `oxa' of the name `oxacyclohexane' or `oxane' -from the viewpoint of the construction of names. -Since the unit due to the latter prefix is designated by -the \verb/1==O/ involved in the ATOMLIST, -the former prefix can be treated in the same way. -Hence, spiro compounds are drawn as follows: -\begin{enumerate} -\item -\XyMTeX{} regards a spiro ring -as a unit for the IUPAC replacement nomenclature, -which is generated from an appropriate structure by ``yl''-function. -\item the code of the unit due to the ``yl''-function is added to -the ATOMLIST of a mother skeleton. -\end{enumerate} - -Spiro[5.5]undecane is regarded as `cyclohexana'-cyclohexane -(more formally, `cyclohexanespiro'-cyclo\-hexane), -as found in the code, -\begin{verbatim} -\sixheterov[]{1s==\sixheterov[]{}{4==(yl)}}{} -\end{verbatim} -where the code -\verb/\sixheterov[]{}{4==(yl)}/ produced by the ``yl''-function -corresponds to the suffix `cyclohexana' and -is written in the ATOMLIST of the outer \verb/sixheterov/ command. -Thereby, we can obtain -\begin{center} -\vspace*{1cm} -\sixheterov[]{1s==\sixheterov[]{}{4==(yl)}}{} -\end{center} - -Note that the atom modifier `s' in the code -\verb/1s==\sixheterov[]{}{4==(yl)}/ represents no -hetero-atom at the spiro position. -When a hetero-atom is present at the spiro position, -an atom modifier `h' is used in place of `s'. -For example, the code -\begin{verbatim} -\sixheterov[]{1h==\sixheterov[]{4==N}{4==(yl)}}{} -\end{verbatim} -typeset the following formula: -\begin{center} -\vspace*{1cm} -\sixheterov[]{1h==\sixheterov[]{4==N}{4==(yl)}}{} -\end{center} - -It should be noted that the absence of such atom -modifiers represents a usual replacement by -a hetero atom, as found in the formula of -oxane shown above or in the one of -thiacyclohexane (tetrahydrothiane): -\begin{center} -\sixheterov[]{1==S}{} -\end{center} -generated by the code, -\begin{verbatim} -\sixheterov[]{1==S}{} -\end{verbatim} - -\section{Several Examples} - -Spiro[cyclopentane-1,1$^{\prime}$-indene] described above -can be drawn in two ways: -\begin{center} -\vspace*{1cm} -\nonaheterovi[begj]{1s==\fiveheterov{}{1==(yl)}}{} -\fiveheterov{1s==\nonaheterovi[begj]{}{1==(yl)}}{} - -\vspace*{1cm} -\end{center} -where we use two different codes: -\begin{verbatim} -\nonaheterovi[begj]{1s==\fiveheterov{}{1==(yl)}}{} -\fiveheterov{1s==\nonaheterovi[begj]{}{1==(yl)}}{} -\end{verbatim} -which correspond to -`cyclohexane-1-spiro-1$^{\prime}$-indene' and -`indene-1-spiro-1$^{\prime}$-cyclohexane' (formal), -respectively. - -A spiro dienone -\begin{center} -\vspace*{1cm} -\sixheterov[be]{% -1s==\fiveheterov{4==N}{1==(yl);3SB==H;3SA==COOCH$_{2}$Ph;% -4==PhCH$_{2}$OCO;5D==O}}{4D==O} -\end{center} -can be drawn by writing a code, -\begin{verbatim} -\sixheterov[be]{% -1s==\fiveheterov{4==N}{1==(yl);3SB==H;3SA==COOCH$_{2}$Ph;% -4==PhCH$_{2}$OCO;5D==O}}{4D==O} -\end{verbatim} - -1-Azaspiro[5.5]undecene -which is the skeleton present in histrionicotoxin -(Tetrahedron Lett., 1981, {\bf 22}, 2247) -\begin{center} -\sixheterov[]{1==N;6s==\cyclohexanev[a]{3==(yl)}}{1==CH$_{2}$Ph} -\end{center} -can be drawn by the code, -\begin{verbatim} -\sixheterov[]{1==N;6s==\cyclohexanev[a]{3==(yl)}}{1==CH$_{2}$Ph} -\end{verbatim} - -The following example shows a case -to which both ring fusion and spiro attachment are applied. -The code, -\begin{verbatim} -\decaheterov[fhk% -{g\fivefusev{1==O;4==O}{}{b}}% -]{1s==\cyclohexanev[be]{1D==O;4==(yl)}}{} -\end{verbatim} -gives the following formula: -\begin{center} -\vspace*{2cm} -\decaheterov[fhk% -{g\fivefusev{1==O;4==O}{}{b}}% -]{1s==\cyclohexanev[be]{1D==O;4==(yl)}}{} -\end{center} - -A 1,3-dioxolane derivative -\begin{center} -\fiveheterov{2==O;5==O;% -1s==\trimethylenei{}{3==(yl);1W==PhSO$_{2}$;3W==R}}{}% -\end{center} -can be drawn by the code, -\begin{verbatim} -\fiveheterov{2==O;5==O;1s==\trimethylenei{}{3==(yl);1W==PhSO$_{2}$;3W==R}}{}% -\end{verbatim} -The same compound is also drawn by usual techniques -as follows: -\begin{verbatim} -\fiveheterov{2==O;5==O}{1Sb==\dimethylenei{}{2==(yl);1W==PhSO$_{2}$};1Sa==R} -\end{verbatim} -\begin{center} -\fiveheterov{2==O;5==O}{1Sb==\dimethylenei{}{2==(yl);1W==PhSO$_{2}$};1Sa==R} -\end{center} - -\begin{verbatim} -\fiveheterov{2==O;5==O}{1G==\dimethylenei{}{2==(yl);1W==PhSO$_{2}$};1F==R} -\end{verbatim} -\begin{center} -\fiveheterov{2==O;5==O}{1G==\dimethylenei{}{2==(yl);1W==PhSO$_{2}$};1F==R} -\end{center} - -1,2,3,4-Tetrahydroquinoline-4-spiro-4$^{\prime}$-piperidine, -\begin{quotation} -\vspace*{2cm} -\decaheterovi[fhk]{1==N;4s==\sixheterov[]{1==N}{4==(yl);1==H}}{1==H} -\end{quotation} -can be drawn by writing a code, -\begin{verbatim} -\decaheterovi[fhk]{1==N;4s==\sixheterov[]{1==N}{4==(yl);1==H}}{1==H} -\end{verbatim} - -3,3$^{\prime}$-Spirobi[3{\it H}-indole], -\begin{quotation} -\vspace*{1cm} -\nonaheterovi[begj]{3==N;% -1s==\fiveheterov[bd{b\sixfusev[ac]{}{}{e}}]{4==N}{1==(yl)}}{} -\end{quotation} -is typeset by the code, -\begin{verbatim} -\nonaheterovi[begj]{3==N;% -1s==\fiveheterov[bd{b\sixfusev[ac]{}{}{e}}]{4==N}{1==(yl)}}{} -\end{verbatim} - -The code, -\begin{verbatim} -\sixheterov[]{1s==\fiveheterov{2==O;5==O}{1==(yl)}}{% -5==\threeheteroh{1==O}{3Sb==Me$_{3}$Si;3==(yl)}} -\end{verbatim} -typesets the following structure: -\begin{center} -\vspace*{1cm} -\sixheterov[]{1s==\fiveheterov{2==O;5==O}{1==(yl)}}{% -5==\threeheteroh{1==O}{3Sb==Me$_{3}$Si;3==(yl)}} -\end{center} - -A spiro intermediate during spiro annelation -(T.\ S.\ T.\ Wang, {\em Tetrahedron Lett.}, 1975, 1637), -\begin{quotation} -\vspace*{1cm} -\nonaheterov[aA]{1==N;% -3s==\decaheterovb[B]{8==N}{5==(yl);8==\dimethylenei{}{1D==O;1==(yl)}}}{} -\end{quotation} -can be drawn by the code, -\begin{verbatim} -\nonaheterov[aA]{1==N;% -3s==\decaheterovb[B]{8==N}{5==(yl);8==\dimethylenei{}{1D==O;1==(yl)}}}{} -\end{verbatim} - -A lactone intermediate containing a protected ketone -(A. Grieco and M. Nishizawa, {\em Chem. Commun.}, 1976, 582), -\begin{center} -\decaheterov[h{c\fivefusevi{4==O}{1GA==H;5GB==H;2B==;3D==O}{E}}]{% -6s==\fiveheterovi{1==O;3==O}{2==(yl)}}{5A==;{10}B==;9A==H} - -\vspace*{1cm} -\end{center} -is drawn by the code, -\begin{verbatim} -\decaheterov[h{c\fivefusevi{4==O}{1GA==H;5GB==H;2B==;3D==O}{E}}]{% -6s==\fiveheterovi{1==O;3==O}{2==(yl)}}{5A==;{10}B==;9A==H} -\end{verbatim} - -\section{Multi-Spiro Derivatives} - -Multi-sipro derivatives are drawn by nesting spiro function. -For example, cyclohexanespirocyclopentane-3$^{\prime}$-% -spirocyclohexane (Rule A-42.4), -\begin{center} -\sixheteroh[]{4s==\fiveheterov{% -2s==\sixheteroh[]{}{1==(yl)}}{5==(yl)}}{} -\end{center} -is typeset by the code, -\begin{verbatim} -\sixheteroh[]{4s==\fiveheterov{% -2s==\sixheteroh[]{}{1==(yl)}}{5==(yl)}}{} -\end{verbatim} -When \verb/\fiveheterov/ is a mother skeleton, -such a nested command is unnecessary: -\begin{verbatim} -\fiveheterov{2s==\sixheteroh[]{}{1==(yl)};% -5s==\sixheteroh[]{}{4==(yl)}}{} -\end{verbatim} -\begin{center} -\fiveheterov{2s==\sixheteroh[]{}{1==(yl)};% -5s==\sixheteroh[]{}{4==(yl)}}{} -\end{center} - -The name (Rule A-42.4), -fluorene-9-spiro-1$^{\prime}$-cyclohexane-4$^{\prime}$-% -spiro-1$^{\prime}$-indene, corresponds to the code, -\begin{verbatim} -\nonaheterovi[begj{b\sixfusev[ac]{}{}{E}}]{% -1s==\sixheterov[]{1s==\nonaheterov[begj]{}{1==(yl)}}{4==(yl)}}{} -\end{verbatim} -which gives -\begin{quotation} -\vspace*{2cm} -\nonaheterovi[begj{b\sixfusev[ac]{}{}{E}}]{% -1s==\sixheterov[]{1s==\nonaheterov[begj]{}{1==(yl)}}{4==(yl)}}{} -\end{quotation} - - -\section{Atom Replacement} - -The ATOMLIST of each command is capable of -accommodating a group if a sufficient space is available. -For example, compare two codes, -\begin{verbatim} -\sixheteroh{4==NCOOEt}{} -\hskip 2cm -\sixheteroh{4==N}{4==COOEt} -\end{verbatim} -generating formulas equivalent chemically to each other: -\begin{center} -\sixheteroh{4==NCOOEt}{} -\hskip 2cm -\sixheteroh{4==N}{4==COOEt} -\end{center} -Note that the former example uses an ATOMLIST and -the latter uses an SUBSLIST for describing substituents. - -Even when no such space is available, the use of -a command, \verb/\upnobond/ or \verb/\downnobond/, -give a solution (see \XyMTeX book pages 259--260). -Compare the following formulas, -\begin{center} -\sixheterov{4==\downnobond{N}{COOEt}}{} -\sixheterov{4==N}{4==COOEt} -\sixheterov{1==\upnobond{N}{COOEt}}{} -\sixheterov{1==N}{1==COOEt} -\end{center} -generated by the code, -\begin{verbatim} -\sixheterov{4==\downnobond{N}{COOEt}}{} -\sixheterov{4==N}{4==COOEt} -\sixheterov{1==\upnobond{N}{COOEt}}{} -\sixheterov{1==N}{1==COOEt} -\end{verbatim} - -These examples show that a substituent (e.g. NCOOEt) can -be regarded as a component for atom replacement using a ATOMLIST. -This methodology can be applied to a case in which -such a substituent is generated by the ``yl''-function or -by such a linking command as \verb/\ryl/ or \verb/\lyl/. -The following example shows the use the \verb/\ryl/ command -in the ATOMLIST of \verb/\sixheteroh/. -\begin{verbatim} -\sixheteroh{4h==\ryl(4==NCOO){4==\bzdrh{1==(yl)}}}{} -\hskip2cm -\sixheterov{3h==\ryl(4==NCOO){4==\bzdrh{1==(yl)}}}{} -\hskip2cm -\sixheterov{4h==\ryl(0==N){8==\bzdrv{1==(yl)}}}{} -\end{verbatim} -\begin{center} -\sixheteroh{4h==\ryl(4==NCOO){4==\bzdrh{1==(yl)}}}{} -\hskip2cm -\sixheterov{3h==\ryl(4==NCOO){4==\bzdrh{1==(yl)}}}{} -\hskip2cm -\sixheterov{4h==\ryl(0==N){8==\bzdrv{1==(yl)}}}{} - -\vspace*{1cm} -\end{center} - -A bond bewtween a COO unit and a phenyl group is frequently -omitted. For this purpose, we use command \verb/\ayl/ -defined as -\begin{verbatim} -\makeatletter -\def\ayl{\@ifnextchar({\@ayl@}{\@ayl@(10,40)}} -\def\@ayl@(#1,#2)#3{% -\begingroup\yl@xdiff=0 \yl@ydiff=0% -\kern#1\unitlength\raise#2\unitlength\hbox to0pt{#3\hss}% -\endgroup} -\makeatother -\end{verbatim} -Thereby, we have the following examples. -\begin{verbatim} -\sixheteroh{4==NCOO\ayl{\bzdrh{1==(yl)}}}{} -\hskip2cm -\sixheterov{3==NCOO\ayl{\bzdrh{1==(yl)}}}{} -\hskip2cm -\sixheterov{4==\downnobond{N}{COO\ayl{\bzdrh{1==(yl)}}}}{} -\end{verbatim} -\begin{center} -\sixheteroh{4==NCOO\ayl{\bzdrh{1==(yl)}}}{} -\hskip2cm -\sixheterov{3==NCOO\ayl{\bzdrh{1==(yl)}}}{} -\hskip2cm -\sixheterov{4==\downnobond{N}{COO\ayl{\bzdrh{1==(yl)}}}}{} -\end{center} - -\begin{verbatim} -\tetramethylene[a]{3==\downnobond{N}{COO\ayl{\bzdrh{1==(yl)}}}}{} -\hskip2cm -\tetramethylene[a]{3==N}{3==COO\ayl{\bzdrh{1==(yl)}}} -\end{verbatim} -\begin{center} -\tetramethylene[a]{3==\downnobond{N}{COO\ayl{\bzdrh{1==(yl)}}}}{} -\hskip2cm -\tetramethylene[a]{3==N}{3==COO\ayl{\bzdrh{1==(yl)}}} -\end{center} - - -\endinput - - -\begin{verbatim} -\end{verbatim} -\begin{center} -\end{center} - - -\begin{verbatim} -\end{verbatim} -\begin{quotation} -\end{quotation} - - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/aliphat.drv b/Master/texmf-dist/source/latex/xymtex/aliphat.drv deleted file mode 100644 index bd9e118e02b..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/aliphat.drv +++ /dev/null @@ -1,81 +0,0 @@ -%% -%% This is file `aliphat.drv', -%% generated with the docstrip utility. -%% -%% The original source files were: -%% -%% aliphat.dtx (with options: `driver') -%% -%% This is a generated file. -%% -%% Copyright 1996, 1998 by Shinsaku Fujita -%% -%% This file is part of the XyMTeX system. -%% ======================================= -%% -%% Version 1.01 Released on August 16, 1996 -%% Version 1.02 Released on October 31, 1996 -%% Version 2.00 Released on December 25, 1998 -%% -%% Copyright (C) 1996, 1998 by Shinsaku Fujita, all rights reserved. -%% This style file is created for drawing chemical structural formulas -%% This style file is to be contained in the ``xymtex'' directory which -%% is an input directory for TeX. -%% -%% Copying of this file is authorized only if either -%% -%% (1) you make absolutely no changes to your copy, including name and -%% directory name -%% (2) if you do make changes, -%% (a) you name it something other than the names included in the -%% ``xymtex'' directory and -%% (b) you acknowledge the original name. -%% This restriction ensures that all standard styles are identical. -%% -%% ======================================= -%% -%% This file contains several codes modified from latex.tex (LaTeX2.09) -%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -%% Copyright 1994 the LaTeX3 project and the individual authors (For further -%% copyright information see the file legal.txt of the LaTeX2e standard -%% distribution, and any other copyright indicated in this file.) -%% -%% File: aliphat.dtx -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -\NeedsTeXFormat{pLaTeX2e} -\ProvidesFile{aliphat.dtx}[1998/12/25 v2.00 XyMTeX{} package file] -\documentclass{ltxdoc} -\GetFileInfo{aliphat.dtx} -\def\UPSILON{\char'7} -\def\XyM{X\kern-.30em\smash{% -\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}} -\def\XyMTeX{\XyM\kern-.1em\TeX} -\title{Aliphatic compounds by {\sffamily aliphat.sty} -(\fileversion) of \XyMTeX{}} -\author{Shinsaku Fujita \\ -Department of Chemistry and Materials Technology, \\ -Kyoto Institute of Technology, \\ -Matsugasaki, Sakyoku, Kyoto, 606 Japan -} -\date{\filedate} -\begin{document} - \maketitle - \DocInput{aliphat.dtx} -\end{document} -\endinput -%% -%% End of file `aliphat.drv'. diff --git a/Master/texmf-dist/source/latex/xymtex/aliphat.dtx b/Master/texmf-dist/source/latex/xymtex/aliphat.dtx deleted file mode 100644 index 4f1367d15ce..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/aliphat.dtx +++ /dev/null @@ -1,3193 +0,0 @@ -% \iffalse meta-comment -%% File: aliphat.dtx -% -% Copyright 1993,1996,1998 by Shinsaku Fujita -% -% This file is part of XyMTeX system. -% ------------------------------------- -% -% This file is a successor to: -% -% aliphat.sty -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 1.00} -% \typeout{ -- Released December 1, 1993 by Shinsaku Fujita} -% Copyright (C) 1993 by Shinsaku Fujita, all rights reserved. -% -% This file is a part of the macro package ``XyMTeX'' which has been -% designed for typesetting chemical structural formulas. -% -% This file is to be contained in the ``xymtex'' directory which is -% an input directory for TeX. It is a LaTeX optional style file and -% should be used only within LaTeX, because several macros of the file -% are based on LaTeX commands. -% -% For the review of XyMTeX, see -% (1) Shinsaku Fujita, ``Typesetting structural formulas with the text -% formatter TeX/LaTeX'', Computers and Chemistry, in press. -% The following book deals with an application of TeX/LaTeX to -% preparation of manuscripts of chemical fields: -% (2) Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' -% Tokyo Kagaku Dozin, Tokyo (1993) [in Japanese]. -% -% Copying of this file is authorized only if either -% (1) you make absolutely no changes to your copy, including name and -% directory name; or -% (2) if you do make changes, -% (a) you name it something other than the names included in the -% ``xymtex'' directory and -% (b) you are requested to leave this notice intact. -% This restriction ensures that all standard styles are identical. -% -% Please report any bugs, comments, suggestions, etc. to: -% Shinsaku Fujita, -% Ashigara Research Laboratories, Fuji Photo Film Co., Ltd., -% Minami-Ashigara, Kanagawa-ken, 250-01, Japan. -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{aliphat} -% \def\versi@ndate{December 01, 1993} -% \def\versi@nno{ver1.00} -% \def\copyrighth@lder{SF}% Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{aliphat} -% \def\versi@ndate{August 16, 1996} -% \def\versi@nno{ver1.01} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{aliphat} -% \def\versi@ndate{October 31, 1998} -% \def\versi@nno{ver1.02} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% -% \fi -% -% \CheckSum{3929} -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -% -% \setcounter{StandardModuleDepth}{1} -% -% \StopEventually{} -% \MakeShortVerb{\|} -% -% \iffalse -% \changes{v1.01}{1996/06/26}{first edition for LaTeX2e} -% \changes{v1.02}{1998/10/31}{revised edition for LaTeX2e} -% \changes{v2.00}{1998/12/25}{enhanced edition for LaTeX2e} -% \fi -% -% \iffalse -%<*driver> -\NeedsTeXFormat{pLaTeX2e} -% \fi -\ProvidesFile{aliphat.dtx}[1998/12/25 v2.00 XyMTeX{} package file] -% \iffalse -\documentclass{ltxdoc} -\GetFileInfo{aliphat.dtx} -% -% %%XyMTeX Logo: Definition 2%%% -\def\UPSILON{\char'7} -\def\XyM{X\kern-.30em\smash{% -\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}} -\def\XyMTeX{\XyM\kern-.1em\TeX} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\title{Aliphatic compounds by {\sffamily aliphat.sty} -(\fileversion) of \XyMTeX{}} -\author{Shinsaku Fujita \\ -Department of Chemistry and Materials Technology, \\ -Kyoto Institute of Technology, \\ -Matsugasaki, Sakyoku, Kyoto, 606 Japan -% % (old address) -% % Ashigara Research Laboratories, -% % Fuji Photo Film Co., Ltd., \\ -% % Minami-Ashigara, Kanagawa, 250-01 Japan -} -\date{\filedate} -% -\begin{document} - \maketitle - \DocInput{aliphat.dtx} -\end{document} -% -% \fi -% -% \section{Introduction}\label{aliphat:intro} -% -% \subsection{Options for {\sffamily docstrip}} -% -% \DeleteShortVerb{\|} -% \begin{center} -% \begin{tabular}{|l|l|} -% \hline -% \emph{option} & \emph{function}\\ \hline -% aliphat & aliphat.sty \\ -% driver & driver for this dtx file \\ -% \hline -% \end{tabular} -% \end{center} -% \MakeShortVerb{\|} -% -% \subsection{Version Information} -% -% \begin{macrocode} -%<*aliphat> -\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00} -\typeout{ -- Released December 25, 1998 by Shinsaku Fujita} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\def\j@urnalname{aliphat} -\def\versi@ndate{December 25, 1998} -\def\versi@nno{ver2.00} -\def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>% -\space[\copyrighth@lder]} -% \end{macrocode} -% -% \section{List of commands for aliphat.sty} -% -% \begin{verbatim} -% ********************************* -% * aliphat.sty: list of commands * -% ********************************* -% -% -% -% \Northbond -% \Eastbond -% \Southbond -% \Westbond -% \NEBond -% \NEbond -% \SEBond -% \SEbond -% \NWBond -% \NWbond -% \SWBond -% \SWbond -% -% \NEBOND -% \NWBOND -% \SEBOND -% \SWBOND -% -% -% \ylrtrigonalposition -% \ylRtrigonalposition -% \ylltrigonalposition -% \ylLtrigonalposition -% \ylutrigonalposition -% \ylUtrigonalposition -% \yldtrigonalposition -% \ylDtrigonalposition -% -% \yltethedralposition -% \ylsquareposition -% -% \ylethylenepositiona -% \ylethylenepositionb -% \ylethylenevpositiona -% \ylethylenevpositionb -% -% -% -% \tetrahedral \@tetrahedral -% \square \@square -% -% -% -% \rtrigonal \@rtrigonal -% \Rtrigonal \@Rtrigonal -% \ltrigonal \@ltrigonal -% \Ltrigonal \@Ltrigonal -% \utrigonal \@utrigonal -% \Utrigonal \@Utrigonal -% \dtrigonal \@dtrigonal -% \Dtrigonal \@Dtrigonal -% -% -% -% \ethylene \@ethylene -% \Ethylene \@Ethylene -% \ethylenev \@ethylenev -% \Ethylenev \@Ethylenev -% -% -% -% \tetrastereo \@tetrastereo -% \dtetrastereo \@dtetrastereo -% \ethanestereo \@ethanestereo -% \end{verbatim} -% -% \section{Input of basic macros} -% -% To assure the compatibility to \LaTeX{}2.09 (the native mode), -% the commands added by \LaTeXe{} have not been used in the resulting sty -% files ({\sf aliphat.sty} for the present case). Hence, the combination -% of |\input| and |\@ifundefined| is used to crossload sty -% files ({\sf chemstr.sty} for the present case) in place of the -% |\RequirePackage| command of \LaTeXe{}. -% -% \begin{macrocode} -% ************************* -% * input of basic macros * -% ************************* -\@ifundefined{setsixringv}{\input chemstr.sty\relax}{} -\unitlength=0.1pt -% \end{macrocode} -% -% \section{Macros for bond-setting} -% -% Single, double and triple bonds of aliphatic compounds are represented -% by horizontal, vertical or sloped lines, -% which can be drawn by such commands as |\Eastbond|, -% |\Northbond| and |\SEbond|. -% \changes{v1.02}{1998/10/20}{Adding \cs{NEBOND}, \cs{SEBOND}, \cs{NWBOND}, -% and \cs{SWBOND}} -% -% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\Northbond} -% \begin{macrocode} -% ******************************** -% * Conventions for bond-setting * -% ******************************** -\def\Northbond{% -\yl@xdiff=40 -\yl@ydiff=-15 -\begin{picture}(100,200)(0,0) - \if\@tmpb D\relax% - \multiput(-13,52)(26,0){2}{\line(0,1){100}}% double bond up - \else\if\@tmpb T\relax% - \multiput(-20,52)(20,0){3}{\line(0,1){100}}% triple bond up - \else\if\@tmpb A%(A) alpha - {\thicklines\put(-8,52){\line(0,1){100}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(0,52){\line(0,1){100}}}% - {{\thicklines \dottedline{20}(0,52)(0,152)}}% - \else\if\@tmpb S% - \put(0,52){\line(0,1){100}}% - \else \put(0,52){\line(0,1){100}}% - \fi\fi\fi\fi\fi% - \putlratom{-40}{167}{\@memberb}%==1 upper substituent -\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\Eastbond} -% \begin{macrocode} -\def\Eastbond{% -\yl@xdiff=-10 -\yl@ydiff=33 -\begin{picture}(200,200)(0,0) - \if\@tmpb D\relax% - \multiput(50,-13)(0,26){2}{\line(1,0){140}}% double bond right - \else\if\@tmpb T\relax% - \multiput(50,-20)(0,20){3}{\line(1,0){140}}% double bond right - \else\if\@tmpb A%(A) alpha - {\thicklines\put(50,0){\line(1,0){140}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(50,0){\line(1,0){140}}}% - {{\thicklines \dottedline{20}(50,0)(203,0)}}% - \else\if\@tmpb S% - \put(50,0){\line(1,0){140}}% - \else \put(50,0){\line(1,0){140}}% - \fi\fi\fi\fi\fi% - \putratom{200}{-33}{\@memberb}%==2 right substituent -\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\Southbond} -% \begin{macrocode} -\def\Southbond{% -\yl@xdiff=40 -\yl@ydiff=95 -\begin{picture}(100,300)(0,0) - \if\@tmpb D\relax% - \multiput(-13,-48)(26,0){2}{\line(0,-1){100}}% double bond down - \else\if\@tmpb T\relax% - \multiput(-20,-48)(20,0){3}{\line(0,-1){100}}% double bond down - \else\if\@tmpb A%(A) alpha - {\thicklines\put(-8,-48){\line(0,-1){100}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(0,-48){\line(0,-1){100}}}% - {{\thicklines \dottedline{20}(0,-48)(0,-148)}}% - \else\if\@tmpb S% - \put(0,-48){\line(0,-1){100}}% - \else \put(0,-48){\line(0,-1){100}}% - \fi\fi\fi\fi\fi% - \putlratom{-40}{-243}{\@memberb}%==3 down substituent -\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\Westbond} -% \begin{macrocode} -\def\Westbond{% -\yl@xdiff=10 -\yl@ydiff=33 -\begin{picture}(100,300)(0,0) - \if\@tmpb D\relax% - \multiput(-190,-13)(0,26){2}{\line(1,0){140}}% double bond left - \else\if\@tmpb T\relax% - \multiput(-190,-20)(0,20){3}{\line(1,0){140}}% double bond left - \else\if\@tmpb A%(A) alpha - {\thicklines\put(-190,0){\line(1,0){140}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(-190,0){\line(1,0){140}}}% - {{\thicklines \dottedline{20}(-190,0)(-40,0)}}% - \else\if\@tmpb S% - \put(-190,0){\line(1,0){140}}% - \else \put(-190,0){\line(1,0){140}}% - \fi\fi\fi\fi\fi% - \putlatom{-200}{-33}{\@memberb}%==4 left substituent -\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\NEBond} -% \begin{macrocode} -\def\NEBond{%degree 120 -\yl@xdiff=-9 -\yl@ydiff=13 -\begin{picture}(100,300)(0,0) - \if\@tmpb D\relax% - \put(33,48){\line(5,3){121}}% - \put(47,26){\line(5,3){121}}%northeast double bond - \else\if\@tmpb T\relax% - \put(31,52){\line(5,3){121}}% - \put(40,37){\line(5,3){121}}% - \put(49,22){\line(5,3){121}}%northeast triple bond - \else\if\@tmpb A%(A) alpha - {\thicklines\put(40,47){\line(5,3){121}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(40,47){\line(5,3){121}}}% - {{\thicklines \dottedline{20}(40,47)(161,120)}}% - \else\if\@tmpb S% - \put(40,47){\line(5,3){121}}% - \else \put(40,47){\line(5,3){121}}% - \fi\fi\fi\fi\fi% - \putratom{170}{107}{\@memberb}%==2 (northeast substituent) -\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\NEbond} -% \begin{macrocode} -\def\NEbond{%degree 90 -\yl@xdiff=-5 -\yl@ydiff=10 -\begin{picture}(100,300)(0,0) - \if\@tmpb D\relax% - \put(31,46){\line(1,1){100}}% - \put(49,28){\line(1,1){100}}%northeast double bond - \else\if\@tmpb T\relax% - \put(27,50){\line(1,1){100}}% - \put(40,37){\line(1,1){100}}% - \put(53,24){\line(1,1){100}}%northeast triple bond - \else\if\@tmpb A%(A) alpha - {\thicklines\put(40,47){\line(1,1){100}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(40,47){\line(1,1){100}}}% - {{\thicklines \dottedline{20}(40,47)(140,147)}}% - \else\if\@tmpb S% - \put(40,47){\line(1,1){100}}% - \else \put(40,47){\line(1,1){100}}% - \fi\fi\fi\fi\fi% - \putratom{145}{137}{\@memberb}%==2 (northeast substituent) -\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\SEBond} -% \begin{macrocode} -\def\SEBond{%degree 120 -\yl@xdiff=-9 -\yl@ydiff=67 -\begin{picture}(100,300)(0,0) - \if\@tmpb D\relax% - \put(33,-48){\line(5,-3){121}}% - \put(47,-26){\line(5,-3){121}}%southeast double bond - \else\if\@tmpb T\relax% - \put(31,-52){\line(5,-3){121}}% - \put(40,-37){\line(5,-3){121}}% - \put(49,-22){\line(5,-3){121}}%southeast triple bond - \else\if\@tmpb A%(A) alpha - {\thicklines\put(40,-47){\line(5,-3){121}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(40,-47){\line(5,-3){121}}}% - {{\thicklines \dottedline{20}(40,-47)(161,-120)}}% - \else\if\@tmpb S% - \put(40,-47){\line(5,-3){121}}% - \else \put(40,-47){\line(5,-3){121}}% - \fi\fi\fi\fi\fi% - \putratom{170}{-187}{\@memberb}%==2 (southeast substituent) -\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\SEbond} -% \begin{macrocode} -\def\SEbond{%degree 90 -\yl@xdiff=-5 -\yl@ydiff=56 -\begin{picture}(100,300)(0,0) - \if\@tmpb D\relax% - \put(31,-46){\line(1,-1){100}}% - \put(49,-28){\line(1,-1){100}}%southeast double bond - \else\if\@tmpb T\relax% - \put(27,-50){\line(1,-1){100}}% - \put(40,-37){\line(1,-1){100}}% - \put(53,-24){\line(1,-1){100}}%southeast triple bond - \else\if\@tmpb A%(A) alpha - {\thicklines\put(53,-47){\line(1,-1){100}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(40,-47){\line(1,-1){100}}}% - {{\thicklines \dottedline{20}(40,-47)(140,-147)}}% - \else\if\@tmpb S% - \put(40,-47){\line(1,-1){100}}% - \else \put(40,-47){\line(1,-1){100}}% - \fi\fi\fi\fi\fi% - \putratom{145}{-203}{\@memberb}%==3 (southeast substituent) -\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\NWBbond} -% \begin{macrocode} -\def\NWBond{% -\begin{picture}(100,300)(0,0) -\yl@xdiff=9 -\yl@ydiff=13 - \if\@tmpb D\relax% - \put(-59,48){\line(-5,3){121}}% - \put(-73,26){\line(-5,3){121}}%northwest double bond - \else\if\@tmpb T\relax% - \put(-57,52){\line(-5,3){121}}% - \put(-66,37){\line(-5,3){121}}% - \put(-75,22){\line(-5,3){121}}%northwest triple bond - \else\if\@tmpb A%(A) alpha - {\thicklines\put(-66,47){\line(-5,3){121}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(-66,47){\line(-5,3){121}}}% - {{\thicklines \dottedline{20}(-66,47)(-187,120)}}% - \else\if\@tmpb S% - \put(-66,47){\line(-5,3){121}}% - \else \put(-66,47){\line(-5,3){121}}% - \fi\fi\fi\fi\fi% - \putlatom{-196}{107}{\@memberb}%==2 (northwest substituent) -\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\NWbond} -% \begin{macrocode} -\def\NWbond{% -\begin{picture}(100,300)(0,0) -\yl@xdiff=13 -\yl@ydiff=10 - \if\@tmpb D\relax% - \put(-41,46){\line(-1,1){100}}% - \put(-59,28){\line(-1,1){100}}%northwest double bond - \else\if\@tmpb T\relax% - \put(-37,50){\line(-1,1){100}}% - \put(-50,37){\line(-1,1){100}}% - \put(-63,24){\line(-1,1){100}}%northwest triple bond - \else\if\@tmpb A%(A) alpha - {\thicklines\put(-50,47){\line(-1,1){100}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(-50,47){\line(-1,1){100}}}% - {{\thicklines \dottedline{20}(-50,47)(-137,147)}}% - \else\if\@tmpb S% - \put(-50,47){\line(-1,1){100}}% - \else \put(-50,47){\line(-1,1){100}}% - \fi\fi\fi\fi\fi% - \putlatom{-163}{137}{\@memberb}%==2 (northwest substituent) -\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\SWBond} -% \begin{macrocode} -\def\SWBond{% -\yl@xdiff=9 -\yl@ydiff=67 -\begin{picture}(100,300)(0,0) - \if\@tmpb D\relax% - \put(-59,-48){\line(-5,-3){121}}% - \put(-73,-26){\line(-5,-3){121}}%southwest double bond - \else\if\@tmpb T\relax% - \put(-57,-52){\line(-5,-3){121}}% - \put(-66,-37){\line(-5,-3){121}}% - \put(-75,-22){\line(-5,-3){121}}%southwest triple bond - \else\if\@tmpb A%(A) alpha - {\thicklines\put(-66,-47){\line(-5,-3){121}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(-66,-47){\line(-5,-3){121}}}% - {{\thicklines \dottedline{20}(-66,-47)(-187,-120)}}% - \else\if\@tmpb S% - \put(-66,-47){\line(-5,-3){121}}% - \else \put(-66,-47){\line(-5,-3){121}}% - \fi\fi\fi\fi\fi% - \putlatom{-196}{-187}{\@memberb}%==2 (southwest substituent) -\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\SWbond} -% \begin{macrocode} -\def\SWbond{% -\yl@xdiff=13 -\yl@ydiff=56 -\begin{picture}(100,300)(0,0) - \if\@tmpb D\relax% - \put(-41,-46){\line(-1,-1){100}}% - \put(-59,-28){\line(-1,-1){100}}%southwest double bond - \else\if\@tmpb T\relax% - \put(-37,-50){\line(-1,-1){100}}% - \put(-50,-37){\line(-1,-1){100}}% - \put(-63,-24){\line(-1,-1){100}}%southwest triple bond - \else\if\@tmpb A%(A) alpha - {\thicklines\put(-50,-47){\line(-1,-1){100}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(-50,-47){\line(-1,-1){100}}}% - {{\thicklines \dottedline{20}(-50,-47)(-137,-147)}}% - \else\if\@tmpb S% - \put(-50,-47){\line(-1,-1){100}}% - \else \put(-50,-47){\line(-1,-1){100}}% - \fi\fi\fi\fi\fi% - \putlatom{-163}{-203}{\@memberb}%==3 (southwest substituent) -\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \changes{v1.02}{1998/10/20}{New command: \cs{NEBOND}} -% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\NEBOND} -% \begin{macrocode} -\def\NEBOND{%degree 120 -\yl@xdiff=-1 -\yl@ydiff=-10 -\begin{picture}(100,300)(0,0) - \if\@tmpb D\relax% - \put(48,33){\line(3,5){72}}% - \put(26,47){\line(3,5){72}}%northeast double bond - \else\if\@tmpb T\relax% - \put(52,31){\line(3,5){72}}% - \put(37,40){\line(3,5){72}}% - \put(22,49){\line(3,5){72}}%northeast triple bond - \else\if\@tmpb A%(A) alpha - {\thicklines\put(40,47){\line(3,5){72}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(47,40){\line(3,5){72}}}% - {{\thicklines \dottedline{20}(47,40)(120,161)}}% - \else\if\@tmpb S% - \put(47,40){\line(3,5){72}}% - \else \put(47,40){\line(3,5){72}}% - \fi\fi\fi\fi\fi% - \putratom{120}{170}{\@memberb}%==2 (northeast substituent) -\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \changes{v1.02}{1998/10/20}{New command: \cs{SEBOND}} -% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\SEBOND} -% \begin{macrocode} -\def\SEBOND{%degree 120 -\yl@xdiff=-1 -\yl@ydiff=70 -\begin{picture}(100,300)(0,0) - \if\@tmpb D\relax% - \put(48,-33){\line(3,-5){72}}% - \put(26,-47){\line(3,-5){72}}%southeast double bond - \else\if\@tmpb T\relax% - \put(52,-31){\line(3,-5){72}}% - \put(37,-40){\line(3,-5){72}}% - \put(22,-49){\line(3,-5){72}}%southeast triple bond - \else\if\@tmpb A%(A) alpha - {\thicklines\put(47,-40){\line(3,-5){72}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(47,-40){\line(3,-5){72}}}% - {{\thicklines \dottedline{20}(47,-40)(120,-161)}}% - \else\if\@tmpb S% - \put(47,-40){\line(3,-5){72}}% - \else \put(47,-40){\line(3,-5){72}}% - \fi\fi\fi\fi\fi% - \putratom{120}{-230}{\@memberb}%==2 (southeast substituent) -\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \changes{v1.02}{1998/10/20}{New command: \cs{NWBOND}} -% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\NWBOND} -% \begin{macrocode} -\def\NWBOND{% -\yl@xdiff=1 -\yl@ydiff=-10 -\begin{picture}(100,300)(0,0) - \if\@tmpb D\relax% - \put(-48,33){\line(-3,5){72}}% - \put(-26,47){\line(-3,5){72}}%northwest double bond - \else\if\@tmpb T\relax% - \put(-52,31){\line(-3,5){72}}% - \put(-37,40){\line(-3,5){72}}% - \put(-22,49){\line(-3,5){72}}%northwest triple bond - \else\if\@tmpb A%(A) alpha - {\thicklines\put(-40,47){\line(-3,5){72}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(-47,40){\line(-3,5){72}}}% - {{\thicklines \dottedline{20}(-47,40)(-120,161)}}% - \else\if\@tmpb S% - \put(-47,40){\line(-3,5){72}}% - \else \put(-47,40){\line(-3,5){72}}% - \fi\fi\fi\fi\fi% - \putlatom{-120}{170}{\@memberb}%==2 (northwest substituent) -%\yl@xdiff=11 -%\yl@ydiff=-14 -% \if\@tmpb D\relax% -% \put(-48,59){\line(-3,5){72}}% -% \put(-26,73){\line(-3,5){72}}%northwest double bond -% \else\if\@tmpb T\relax% -% \put(-52,57){\line(-3,5){72}}% -% \put(-37,66){\line(-3,5){72}}% -% \put(-22,75){\line(-3,5){72}}%northwest triple bond -% \else\if\@tmpb A%(A) alpha -% {\thicklines\put(-47,66){\line(-3,5){72}}}% single bond (alpha) -% \else\if\@tmpb B%(B) beta -% \@ifundefined{dottedline}{\put(-47,66){\line(-3,5){72}}}% -% {{\thicklines \dottedline{20}(-47,66)(-120,187)}}% -% \else\if\@tmpb S% -% \put(-47,66){\line(-3,5){72}}% -% \else \put(-47,66){\line(-3,5){72}}% -% \fi\fi\fi\fi\fi% -% \putlatom{-130}{200}{\@memberb}%==2 (northwest substituent) -%% \putlatom{-120}{170}{\@memberb}%==2 (northwest substituent) -\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \changes{v1.02}{1998/10/20}{New command: \cs{SWBOND}} -% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\SWBOND} -% \begin{macrocode} -\def\SWBOND{% -\yl@xdiff=1 -\yl@ydiff=70 -\begin{picture}(100,300)(0,0) - \if\@tmpb D\relax% - \put(-48,-33){\line(-3,-5){72}}% - \put(-26,-47){\line(-3,-5){72}}%southwest double bond - \else\if\@tmpb T\relax% - \put(-52,-31){\line(-3,-5){72}}% - \put(-37,-40){\line(-3,-5){72}}% - \put(-22,-49){\line(-3,-5){72}}%southwest triple bond - \else\if\@tmpb A%(A) alpha - {\thicklines\put(-47,-40){\line(-3,-5){72}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(-47,-40){\line(-3,-5){72}}}% - {{\thicklines \dottedline{20}(-47,-40)(-120,-161)}}% - \else\if\@tmpb S% - \put(-47,-40){\line(-3,-5){72}}% - \else \put(-47,-40){\line(-3,-5){72}}% - \fi\fi\fi\fi\fi% - \putlatom{-120}{-230}{\@memberb}%==2 (southwest substituent) -\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \section{Tetrahedral unit} -% -% The macro |\tetrahedral| typesets a compound of tetravalency. -% The following numbering is adopted in this macro. -% -% \begin{verbatim} -% ******************** -% * tetrahedral unit * -% ******************** -% -% 1 -% -% | -% 2 -- 0 -- 4 0 <== the original point -% | -% -% 3 -% \end{verbatim} -% -% This macro has an argument |SUBSLIST| as well as an optional -% argument |AUXLIST|. -% -% \begin{verbatim} -% \tetrahedral[AUXLIST]{SUBSLIST} -% \end{verbatim} -% -% The arugument |AUXLIST| designates an character on the central -% atom of the formula drawn by this macro. It can be used a plus -% or minus charge on the center. -% -% \begin{verbatim} -% AUXLIST = -% -% {0+} : + charge (or another one chararacter) on the center -% \end{verbatim} -% -% The arugument |SUBLIST| designates a set of substitutients. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 4 -% -% nT : triple bond at n-atom -% nD : double bond at n-atom -% n or nS : single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% -% for 0 : cetral atom (e.g. 0==C) -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \tetrahedral{1==Cl;2==F} -% \tetrahedral{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% \changes{v1.02}{1998/10/31}{Adding \cs{yltetrahedralposition}, -% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\tetrahedral} -% \begin{macro}{\@tetrahedral} -% \begin{macrocode} -\def\tetrahedral{\@ifnextchar[{\@tetrahedral[r}{\@tetrahedral[r]}} -\def\@tetrahedral#1]#2{% -%\def\tetrahedral{\@ifnextchar[{\@tetrahedral}{\@tetrahedral[]}} -%\def\@tetrahedral[#1]#2{% -\@reset@ylsw% -\yltetrahedralposition{#2}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(600,600)(-300,-300)% - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `tetrahedral' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 0\relax {\putratom{47}{50}{\scriptsize\@@tmpb}}\fi}% -\@forsemicol\member:=#2\do{ -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa -{\putlratom{-40}{-33}{\hbox to.72em{\hss\@memberb\hss}}}%central atom -\or\put(0,0){\Northbond}% -\or\put(0,0){\Westbond}% -\or\put(0,0){\Southbond}% -\or\put(0,0){\Eastbond}\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro tetrahedral -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The command |\yltetrahedralposition| is used in -% |\tetrahedral| to adjust a substitution position. -% \changes{v1.02}{1998/10/20}{Newly added command: -% \cs{yltetrahedralposition}} -% -% \begin{macro}{\yltetrahedralposition} -% \begin{macrocode} -\def\yltetrahedralposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or \gdef\@ylii{0}\gdef\@yli{-52}\global\@ylswtrue%N subst. on 1 - \or \gdef\@ylii{52}\gdef\@yli{0}\global\@ylswtrue%W subst. on 1 - \or \gdef\@ylii{0}\gdef\@yli{52}\global\@ylswtrue%S subst. on 1 - \or \gdef\@ylii{-52}\gdef\@yli{0}\global\@ylswtrue%E subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} - -% \section{Divalenth unit} -% -% The command |\divalenth| produces a length-variable divalent unit. -% \changes{v2.00}{1998/12/14}{New command: \cs{divalenth}} -% -% \begin{verbatim} -% ****************** -% * Divalenth unit * -% ****************** -% -% -% -% 1 -- (group) -- 2 0 <== the original point -% -% \end{verbatim} -% -% This macro has an argument |SUBSLIST| as well as an optional -% argument |GROUP|. -% -% \begin{verbatim} -% \divalenth{GROUP}{SUBSLIST} -% \end{verbatim} -% -% The arugument |GROUP| designates a character strings representing -% a divalent group. The locant number is fixed to be zero. -% -% The arugument |SUBLIST| designates a set of substitutients. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 4 -% -% nT : triple bond at n-atom -% nD : double bond at n-atom -% n or nS : single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% -% for 0 : cetral atom (e.g. 0==C) -% \end{verbatim} -% -% -% \begin{macro}{\divalenth} -% \begin{macrocode} -\def\divalenth#1#2{% -\@reset@ylsw% -\yldivalenthposition{#1}{#2}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(600,400)(-300,-200)% - \iforigpt \put(-300,-200){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `tetrahedral' origin: % - (\the\noshift,\the\noshift) ---> (300,200)}\fi% -\fi -{\expandafter\@m@mb@r#1;\relax - \putratom{-30}{-33}{\@memberb}}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa -\or\put(0,0){\Westbond}% -\or\put(\the\@tempcnta,0){\Eastbond}\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro tetrahedral -% \end{macrocode} -% \end{macro} -% -% The command |\yldivalenthposition| is used in -% |\tetrahedral| to adjust a substitution position. -% \changes{v2.00}{1998/12/14}{Newly added command: -% \cs{yldivalenthposition}} -% -% \begin{macro}{\yldivalenthposition} -% \begin{macrocode} -\def\yldivalenthposition#1#2{% -{\expandafter\@m@mb@r#1;\relax - \setbox0=\hbox{\@memberb}% - \@tempcnta=\wd0 - \@tempcntb=\unitlength - \divide\@tempcnta by\@tempcntb - \global\advance\@tempcnta by-62% - \@tempcntb=\@tempcnta \global\advance\@tempcntb by50\relax - }% -\@@ylswfalse% -\@forsemicol\member:=#2\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or \gdef\@ylii{50}\gdef\@yli{0}\global\@ylswtrue%W subst. on 1 - \or \edef\@ylii{-\the\@tempcntb}\gdef\@yli{0}\global\@ylswtrue%E subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% -% \section{Trigonal unit} -% \subsection{Right-hand trigonal unit (narrow type)} -% -% The macro |\rtrigonal| typesets a compound of trivalency. -% The following numbering is adopted in this macro. -% The two right-hand bonds form an angle of 90$^{\circ}$ (narrow type), -% while the left-hand bond is typeset horizontally. -% -% \begin{verbatim} -% ************************* -% * trigonal unit (right) * -% ************************* -% -% 3 -% / -% / -% 1 --- 0 90 0 <== the original point -% ` -% ` -% 2 -% \end{verbatim} -% -% This macro has an argument |SUBSLIST| as well as an optional -% argument |AUXLIST|. -% -% \begin{verbatim} -% \rtrigonal[AUXLIST]{SUBSLIST} -% \end{verbatim} -% -% The arugument |AUXLIST| designates an character on the central -% atom of the formula drawn by this macro. It can be used a plus -% or minus charge on the center. -% -% \begin{verbatim} -% AUXLIST = -% -% {0+}: + charge (or another one chararacter) on the center -% \end{verbatim} -% -% The arugument |SUBLIST| designates a set of substitutients. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 3 -% -% nT : triple bond at n-atom -% nD : double bond at n-atom -% n or nS : single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% -% for 0 : cetral atom (e.g. 0==C) -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \rtrigonal{1==Cl;2==F} -% \rtrigonal{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% \changes{v1.02}{1998/10/31}{Adding \cs{ylrtrigonalposition}, -% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\rtrigonal} -% \begin{macro}{\@rtrigonal} -% \begin{macrocode} -\def\rtrigonal{\@ifnextchar[{\@rtrigonal[r}{\@rtrigonal[r]}} -\def\@rtrigonal#1]#2{% -\@reset@ylsw% -\ylrtrigonalposition{#2}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(600,600)(-300,-300)% - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `rtrigonal' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa {\putlratom{-40}{-33}{\@memberb}}%central atom -\or\put(0,0){\Westbond}% -\or\put(0,0){\SEbond}% -\or\put(0,0){\NEbond}% -\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro rtrigonal -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The command |\ylrtrigonalposition| is used in -% |\rtrigonal| to adjust a substitution position. -% \changes{v1.02}{1998/10/20}{Newly added command: -% \cs{ylrtrigonalposition}} -% -% \begin{macro}{\ylrtrigonalposition} -% \begin{macrocode} -\def\ylrtrigonalposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or \gdef\@ylii{52}\gdef\@yli{0}\global\@ylswtrue% W subst. on 1 - \or \gdef\@ylii{-40}\gdef\@yli{47}\global\@ylswtrue% SE subst. on 1 - \or \gdef\@ylii{-40}\gdef\@yli{-47}\global\@ylswtrue% NE subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% -% \subsection{Right-hand trigonal unit (broad type)} -% -% The macro |\Rtrigonal| typesets a compound of trivalency. -% The following numbering is adopted in this macro. -% The two right-hand bonds form an angle of 120$^{\circ}$ (broad type), -% while the left-hand bond is typeset horizontally. -% \changes{v1.02}{1998/10/20}{New command: \cs{Rtrigonal}} -% -% \begin{verbatim} -% ************************* -% * trigonal unit (right) * -% ************************* -% -% 3 -% / -% / -% 1 --- 0 120 0 <== the original point -% ` -% ` -% 2 -% \end{verbatim} -% -% This macro has an argument |SUBSLIST| as well as an optional -% argument |AUXLIST|. -% -% \begin{verbatim} -% \rtrigonal[AUXLIST]{SUBSLIST} -% \end{verbatim} -% -% The arugument |AUXLIST| designates an character on the central -% atom of the formula drawn by this macro. It can be used a plus -% or minus charge on the center. -% -% \begin{verbatim} -% AUXLIST = -% -% {0+}: + charge (or another one chararacter) on the center -% \end{verbatim} -% -% The arugument |SUBLIST| designates a set of substitutients. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 3 -% -% nT : triple bond at n-atom -% nD : double bond at n-atom -% n or nS : single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% -% for 0 : cetral atom (e.g. 0==C) -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \rtrigonal{1==Cl;2==F} -% \rtrigonal{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% \changes{v1.02}{1998/10/31}{Adding \cs{ylRtrigonalposition}, -% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\Rtrigonal} -% \begin{macro}{\@Rtrigonal} -% \begin{macrocode} -\def\Rtrigonal{\@ifnextchar[{\@Rtrigonal[r}{\@Rtrigonal[r]}} -\def\@Rtrigonal#1]#2{% -\@reset@ylsw% -\ylRtrigonalposition{#2}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(600,600)(-300,-300)% - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `Rtrigonal' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa {\putlratom{-40}{-33}{\@memberb}}%central atom -\or\put(0,0){\Westbond}% -\or\put(0,0){\SEBOND}% -\or\put(0,0){\NEBOND}% -\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro Rtrigonal -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The command |\ylRtrigonalposition| is used in -% |\Rtrigonal| to adjust a substitution position. -% \changes{v1.02}{1998/10/20}{Newly added command: -% \cs{ylRtrigonalposition}} -% -% \begin{macro}{\ylRtrigonalposition} -% \begin{macrocode} -\def\ylRtrigonalposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or \gdef\@ylii{52}\gdef\@yli{0}\global\@ylswtrue% W subst. on 1 - \or \gdef\@ylii{-47}\gdef\@yli{40}\global\@ylswtrue% SE subst. on 1 - \or \gdef\@ylii{-47}\gdef\@yli{-40}\global\@ylswtrue% NE subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% -% \subsection{Left-hand trigonal unit (narrow type)} -% -% The macro |\ltrigonal| typesets a compound of trivalency. -% The following numbering is adopted in this macro. -% The two left-hand bonds form an angle of 90$^{\circ}$ (narrow type), -% while the right-hand bond is typeset horizontally. -% -% \begin{verbatim} -% ************************ -% * trigonal unit (left) * -% ************************ -% -% 2 -% ` -% ` -% 90 0 --- 1 0 <== the original point -% / -% / -% 3 -% \end{verbatim} -% -% This macro has an argument |SUBSLIST| as well as an optional -% argument |AUXLIST|. -% -% \begin{verbatim} -% \ltrigonal[AUXLIST]{SUBSLIST} -% \end{verbatim} -% -% The arugument |AUXLIST| designates an character on the central -% atom of the formula drawn by this macro. It can be used a plus -% or minus charge on the center. -% -% \begin{verbatim} -% AUXLIST = -% -% {0+} : + charge (or another one chararacter) on the center -% \end{verbatim} -% -% The arugument |SUBLIST| designates a set of substitutients. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 3 -% -% nT : triple bond at n-atom -% nD : double bond at n-atom -% n or nS : single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% -% for 0 : cetral atom (e.g. 0==C) -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \ltrigonal{1==Cl;2==F} -% \ltrigonal{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylltrigonalposition}, -% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\ltrigonal} -% \begin{macro}{\@ltrigonal} -% \begin{macrocode} -\def\ltrigonal{\@ifnextchar[{\@ltrigonal[r}{\@ltrigonal[r]}} -\def\@ltrigonal#1]#2{% -\@reset@ylsw% -\ylltrigonalposition{#2}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(600,600)(-300,-300)% - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `ltrigonal' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa -{\putlratom{-40}{-33}{\@memberb}}%central atom -\or\put(0,0){\Eastbond}% -\or\put(0,0){\NWbond}% -\or\put(0,0){\SWbond}% -\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro ltrigonal -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The command |\ylltrigonalposition| is used in -% |\ltrigonal| to adjust a substitution position. -% \changes{v1.02}{1998/10/20}{Newly added command: -% \cs{ylltrigonalposition}} -% -% \begin{macro}{\ylltrigonalposition} -% \begin{macrocode} -\def\ylltrigonalposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or \gdef\@ylii{-52}\gdef\@yli{0}\global\@ylswtrue% W subst. on 1 - \or \gdef\@ylii{50}\gdef\@yli{-47}\global\@ylswtrue% NW subst. on 1 - \or \gdef\@ylii{50}\gdef\@yli{47}\global\@ylswtrue% SW subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% -% \subsection{Left-hand trigonal unit (broad type)} -% -% The macro |\Ltrigonal| typesets a compound of trivalency. -% The following numbering is adopted in this macro. -% The two left-hand bonds form an angle of 120$^{\circ}$ (broad type), -% while the right-hand bond is typeset horizontally. -% \changes{v1.02}{1998/10/20}{New command: \cs{Ltrigonal}} -% -% \begin{verbatim} -% ************************ -% * trigonal unit (left) * -% ************************ -% -% 2 -% ` -% ` -% 120 0 --- 1 0 <== the original point -% / -% / -% 3 -% \end{verbatim} -% -% This macro has an argument |SUBSLIST| as well as an optional -% argument |AUXLIST|. -% -% \begin{verbatim} -% \ltrigonal[AUXLIST]{SUBSLIST} -% \end{verbatim} -% -% The arugument |AUXLIST| designates an character on the central -% atom of the formula drawn by this macro. It can be used a plus -% or minus charge on the center. -% -% \begin{verbatim} -% AUXLIST = -% -% {0+} : + charge (or another one chararacter) on the center -% \end{verbatim} -% -% The arugument |SUBLIST| designates a set of substitutients. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 3 -% -% nT : triple bond at n-atom -% nD : double bond at n-atom -% n or nS : single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% -% for 0 : cetral atom (e.g. 0==C) -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \Ltrigonal{1==Cl;2==F} -% \Ltrigonal{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylLtrigonalposition}, -% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\Ltrigonal} -% \begin{macro}{\@Ltrigonal} -% \begin{macrocode} -\def\Ltrigonal{\@ifnextchar[{\@Ltrigonal[r}{\@Ltrigonal[r]}} -\def\@Ltrigonal#1]#2{% -\@reset@ylsw% -\ylLtrigonalposition{#2}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(600,600)(-300,-300)% - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `Ltrigonal' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa -{\putlratom{-40}{-33}{\@memberb}}%central atom -\or\put(0,0){\Eastbond}% -\or\put(0,0){\NWBOND}% -\or\put(0,0){\SWBOND}% -\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro Ltrigonal -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The command |\ylLtrigonalposition| is used in -% |\Ltrigonal| to adjust a substitution position. -% \changes{v1.02}{1998/10/20}{Newly added command: -% \cs{ylLtrigonalposition}} -% -% \begin{macro}{\ylLtrigonalposition} -% \begin{macrocode} -\def\ylLtrigonalposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or \gdef\@ylii{-52}\gdef\@yli{0}\global\@ylswtrue% W subst. on 1 - \or \gdef\@ylii{47}\gdef\@yli{-40}\global\@ylswtrue% NWB subst. on 1 -% \or \gdef\@ylii{47}\gdef\@yli{-66}\global\@ylswtrue% NWB subst. on 1 - \or \gdef\@ylii{47}\gdef\@yli{40}\global\@ylswtrue% SWB subst. on 1 -% \or \gdef\@ylii{47}\gdef\@yli{66}\global\@ylswtrue% SWB subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% -% \subsection{Upward trigonal unit (narrow type)} -% -% The macro |\utrigonal| typesets a compound of trivalency. -% The two upward bonds form an angle of 90$^{\circ}$ (narrow type), -% while the downward bond is typeset vertically. -% The following numbering is adopted in this macro. -% -% \begin{verbatim} -% ********************** -% * trigonal unit (up) * -% ********************** -% -% The following numbering is adopted in this macro. -% -% 3 . 2 -% ` 90 / -% ` / -% 0 0 <== the original point -% | -% | -% 1 -% -% \end{verbatim} -% -% This macro has an argument |SUBSLIST| as well as an optional -% argument |AUXLIST|. -% -% \begin{verbatim} -% \utrigonal[AUXLIST]{SUBSLIST} -% \end{verbatim} -% -% The arugument |AUXLIST| designates an character on the central -% atom of the formula drawn by this macro. It can be used a plus -% or minus charge on the center. -% -% \begin{verbatim} -% AUXLIST = -% -% {0+}: + charge (or another one chararacter) on the center -% \end{verbatim} -% -% The arugument |SUBLIST| designates a set of substitutients. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 3 -% -% nT : triple bond at n-atom -% nD : double bond at n-atom -% n or nS : single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% -% for 0 : cetral atom (e.g. 0==C) -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \utrigonal{1==Cl;2==F} -% \utrigonal{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylutrigonalposition}, -% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\utrigonal} -% \begin{macro}{\@utrigonal} -% \begin{macrocode} -\def\utrigonal{\@ifnextchar[{\@utrigonal[r}{\@utrigonal[r]}} -\def\@utrigonal#1]#2{% -\@reset@ylsw% -\ylutrigonalposition{#2}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(600,600)(-300,-300)% - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `utrigonal' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa -{\putlratom{-40}{-33}{\@memberb}}%central atom -\or\put(0,0){\Southbond}% -\or\put(0,0){\NEbond}% -\or\put(0,0){\NWbond}% -\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro utrigonal -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The command |\ylutrigonalposition| is used in -% |\utrigonal| to adjust a substitution position. -% \changes{v1.02}{1998/10/20}{Newly added command: -% \cs{ylutrigonalposition}} -% -% \begin{macro}{\ylutrigonalposition} -% \begin{macrocode} -\def\ylutrigonalposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or \gdef\@ylii{0}\gdef\@yli{52}\global\@ylswtrue%S subst. on 1 - \or \gdef\@ylii{-40}\gdef\@yli{-47}\global\@ylswtrue% NE subst. on 1 - \or \gdef\@ylii{50}\gdef\@yli{-47}\global\@ylswtrue% NW subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% -% \subsection{Upward trigonal unit (broad type)} -% -% The macro |\Utrigonal| typesets a compound of trivalency. -% The two upward bonds form an angle of 120$^{\circ}$ (broad type), -% while the downward bond is typeset vertically. -% The following numbering is adopted in this macro. -% -% \begin{verbatim} -% ********************** -% * trigonal unit (up) * -% ********************** -% -% 3 2 -% ` 120 / -% ` / -% 0 0 <== the original point -% | -% | -% 1 -% -% \end{verbatim} -% -% This macro has an argument |SUBSLIST| as well as an optional -% argument |AUXLIST|. -% -% \begin{verbatim} -% \Utrigonal[AUXLIST]{SUBSLIST} -% \end{verbatim} -% -% The arugument |AUXLIST| designates an character on the central -% atom of the formula drawn by this macro. It can be used a plus -% or minus charge on the center. -% -% \begin{verbatim} -% AUXLIST = -% -% {0+}: + charge (or another one chararacter) on the center -% \end{verbatim} -% -% The arugument |SUBLIST| designates a set of substitutients. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 3 -% -% nT : triple bond at n-atom -% nD : double bond at n-atom -% n or nS : single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% -% for 0 : cetral atom (e.g. 0==C) -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \Utrigonal{1==Cl;2==F} -% \Utrigonal{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylutrigonalposition}, -% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\Utrigonal} -% \begin{macro}{\@Utrigonal} -% \begin{macrocode} -\def\Utrigonal{\@ifnextchar[{\@Utrigonal[r}{\@Utrigonal[r]}} -\def\@Utrigonal#1]#2{% -\@reset@ylsw% -\ylUtrigonalposition{#2}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(600,600)(-300,-300)% - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `Utrigonal' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa -{\putlratom{-40}{-33}{\@memberb}}%central atom -\or\put(0,0){\Southbond}% -\or\put(0,0){\NEBond}% -\or\put(0,0){\NWBond}% -\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro Utrigonal -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The command |\ylUtrigonalposition| is used in -% |\Utrigonal| to adjust a substitution position. -% \changes{v1.02}{1998/10/20}{Newly added command: -% \cs{ylUtrigonalposition}} -% -% \begin{macro}{\ylUtrigonalposition} -% \begin{macrocode} -\def\ylUtrigonalposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or \gdef\@ylii{0}\gdef\@yli{52}\global\@ylswtrue%S subst. on 1 - \or \gdef\@ylii{-40}\gdef\@yli{-47}\global\@ylswtrue% NEB subst. on 1 - \or \gdef\@ylii{66}\gdef\@yli{-47}\global\@ylswtrue% NWB subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% -% \subsection{Downward trigonal unit (narrow type)} -% -% The macro |\dtrigonal| typesets a compound of trivalency. -% The upward bond is typeset vertically. -% The following numbering is adopted in this macro. -% -% \begin{verbatim} -% ************************ -% * trigonal unit (down) * -% ************************ -% -% The following numbering is adopted in this macro. -% -% 1 -% | -% | -% 0 0 <== the original point -% / ` -% / 90 ` -% 2 3 -% -% \end{verbatim} -% -% This macro has an argument |SUBSLIST| as well as an optional -% argument |AUXLIST|. -% -% \begin{verbatim} -% \dtrigonal[AUXLIST]{SUBSLIST} -% \end{verbatim} -% -% The arugument |AUXLIST| designates an character on the central -% atom of the formula drawn by this macro. It can be used a plus -% or minus charge on the center. -% -% \begin{verbatim} -% AUXLIST = -% -% {0+} : + charge (or another one chararacter) on the center -% \end{verbatim} -% -% The arugument |SUBLIST| designates a set of substitutients. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 3 -% -% nT : triple bond at n-atom -% nD : double bond at n-atom -% n or nS : single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% -% for 0 : cetral atom (e.g. 0==C) -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \dtrigonal{1==Cl;2==F} -% \dtrigonal{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% \changes{v1.02}{1998/10/31}{Adding \cs{yldtrigonalposition}, -% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\dtrigonal} -% \begin{macro}{\@dtrigonal} -% \begin{macrocode} -\def\dtrigonal{\@ifnextchar[{\@dtrigonal[r}{\@dtrigonal[r]}} -\def\@dtrigonal#1]#2{% -\@reset@ylsw% -\yldtrigonalposition{#2}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(600,600)(-300,-300) - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `dtrigonal' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 0\relax {\putratom{37}{50}{\scriptsize\@@tmpb}}\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa -{\putlratom{-40}{-33}{\@memberb}}%central atom -\or\put(0,0){\Northbond}% -\or\put(0,0){\SEbond}% -\or\put(0,0){\SWbond}% -\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro dtrigonal -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The command |\yldtrigonalposition| is used in -% |\dtrigonal| to adjust a substitution position. -% \changes{v1.02}{1998/10/20}{Newly added command: -% \cs{yldtrigonalposition}} -% -% \begin{macro}{\yldtrigonalposition} -% \begin{macrocode} -\def\yldtrigonalposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or \gdef\@ylii{0}\gdef\@yli{-52}\global\@ylswtrue%N subst. on 1 - \or \gdef\@ylii{-40}\gdef\@yli{47}\global\@ylswtrue% SE subst. on 1 - \or \gdef\@ylii{50}\gdef\@yli{47}\global\@ylswtrue% SW subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% -% \subsection{Downward trigonal unit (broad type)} -% -% The macro |\Dtrigonal| typesets a compound of trivalency. -% The upward bond is typeset vertically. -% The following numbering is adopted in this macro. -% -% \begin{verbatim} -% ************************ -% * trigonal unit (down) * -% ************************ -% -% The following numbering is adopted in this macro. -% -% 1 -% | -% | -% 0 0 <== the original point -% / ` -% / 120 ` -% 2 3 -% -% \end{verbatim} -% -% This macro has an argument |SUBSLIST| as well as an optional -% argument |AUXLIST|. -% -% \begin{verbatim} -% \Dtrigonal[AUXLIST]{SUBSLIST} -% \end{verbatim} -% -% The arugument |AUXLIST| designates an character on the central -% atom of the formula drawn by this macro. It can be used a plus -% or minus charge on the center. -% -% \begin{verbatim} -% AUXLIST = -% -% {0+}: + charge (or another one chararacter) on the center -% \end{verbatim} -% -% The arugument |SUBLIST| designates a set of substitutients. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 3 -% -% nT : triple bond at n-atom -% nD : double bond at n-atom -% n or nS : single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% -% for 0 : cetral atom (e.g. 0==C) -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \Dtrigonal{1==Cl;2==F} -% \Dtrigonal{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylDtrigonalposition}, -% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\Dtrigonal} -% \begin{macro}{\@Dtrigonal} -% \begin{macrocode} -\def\Dtrigonal{\@ifnextchar[{\@Dtrigonal[r}{\@Dtrigonal[r]}} -\def\@Dtrigonal#1]#2{% -\@reset@ylsw% -\ylDtrigonalposition{#2}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(600,600)(-300,-300) - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `Dtrigonal' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 0\relax {\putratom{37}{50}{\scriptsize\@@tmpb}}\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa -{\putlratom{-40}{-33}{\@memberb}}%central atom -\or\put(0,0){\Northbond}% -\or\put(0,0){\SEBond}% -\or\put(0,0){\SWBond}% -\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro Dtrigonal -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The command |\ylDtrigonalposition| is used in -% |\Dtrigonal| to adjust a substitution position. -% \changes{v1.02}{1998/10/20}{Newly added command: -% \cs{ylDtrigonalposition}} -% -% \begin{macro}{\ylDtrigonalposition} -% \begin{macrocode} -\def\ylDtrigonalposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or \gdef\@ylii{0}\gdef\@yli{-52}\global\@ylswtrue%N subst. on 1 - \or \gdef\@ylii{-40}\gdef\@yli{47}\global\@ylswtrue% SEB subst. on 1 - \or \gdef\@ylii{66}\gdef\@yli{47}\global\@ylswtrue% SWB subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% -% \section{Ethylene derivative} -% \subsection{Horizontal ethylene unit (narrow type)} -% -% The macro |\ethylene| typesets ethylene derivatives. -% The following numbering is adopted in this macro. -% -% \begin{verbatim} -% ***************** -% * ethylene unit * -% ***************** -% -% 1 4 -% ` / -% ` / -% 90 (1)===(2) 90 (1) <== the original point -% / ` -% / ` -% 2 3 -% \end{verbatim} -% -% \begin{verbatim} -% \ethylene[BONDLIST]{ATOMLIST}{SUBSLIST} -% \end{verbatim} -% -% The arugument |BONDLIST| designates the bond between atom (1) and -% atom (2) as well as charges on these centeral atoms. -% -% \begin{verbatim} -% BONDLIST: list of inner bonds and charges -% -% {n+} : + charge (or another one chararacter) on n-atom -% d : inner double bond (between (1) and (2)) -% t : inner triple bond (between (1) and (2)) -% \end{verbatim} -% -% The arugument |SUBLIST| designates a set of substitutients. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 4 -% -% nT : triple bond at n-atom -% nD : double bond at n-atom -% n or nS : single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% \end{verbatim} -% -% The arugument |ATOMLIST| designates the list of central atoms. -% -% \begin{verbatim} -% ATOMLIST: list of central atoms -% n : atom for n-position (e.g. 1==C) -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \ethylene{}{1==Cl;2==F} -% \ethylene{}{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylethylenepositiona}, -% \cs{ylethylenepositionb}, -% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\ethylene} -% \begin{macro}{\@ethylene} -% \begin{macrocode} -\def\ethylene{\@ifnextchar[{\@ethylene}{\@ethylene[]}} -\def\@ethylene[#1]#2#3{% -\@reset@ylsw% -\ylethylenepositiona{#3}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -\ylethylenepositionb{#3}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-230}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(800,600)(-300,-300) - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `ethylene' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -{\def\aaa{#1}\ifx\aaa\empty% - \multiput(42,-13)(0,25){2}{\line(1,0){140}}\fi% double bond -}% -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 1\relax {\putratom{-27}{60}{\scriptsize\@@tmpb}}% - \else\if\@@tmpa 2\relax {\putratom{203}{60}{\scriptsize\@@tmpb}}% - \else\if\@@tmpa d\relax% - {\multiput(42,-13)(0,25){2}{\line(1,0){140}}}% double bond - \else\if\@@tmpa t\relax% - {\multiput(42,-20)(0,20){3}{\line(1,0){140}}}% triple bond right - \fi\fi\fi\fi}% -{\def\aaa{#2}% -\ifx\aaa\empty% -\putratom{-40}{-33}{C}%central atom -\putratom{190}{-33}{C}%central atom -\else% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifcase\@tmpa% -\or\putratom{-40}{-33}{\@memberb}%central atom -\or\putratom{190}{-33}{\@memberb}%central atom -\fi\fi}%end of ifcase -\fi% -}% -\@forsemicol\member:=#3\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa% -\or\put(0,0){\NWbond}% -\or\put(0,0){\SWbond}% -\or\put(230,0){\SEbond}% -\or\put(230,0){\NEbond}% -\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro ethylene -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\ethyleneh} -% \begin{macrocode} -\let\ethyleneh=\ethylene -% \end{macrocode} -% \end{macro} -% -% The commands |\ylethylenepositiona| and |\ylethylenepositiona| -% are used in |\ethylene| to adjust a substitution position. -% \changes{v1.02}{1998/10/20}{Newly added command: -% \cs{ylethylenepositiona} and \cs{ylethylenepositionb}} -% -% \begin{macro}{\ylethylenepositiona} -% \begin{macro}{\ylethylenepositionb} -% \begin{macrocode} -\def\ylethylenepositiona#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or \gdef\@ylii{50}\gdef\@yli{-47}\global\@ylswtrue% NW subst. on 1 - \or \gdef\@ylii{50}\gdef\@yli{47}\global\@ylswtrue% SW subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -\def\ylethylenepositionb#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or%omit - \or%omit - \or \gdef\@ylii{-40}\gdef\@yli{47}\global\@ylswtrue% SE subst. on 1 - \or \gdef\@ylii{-40}\gdef\@yli{-47}\global\@ylswtrue% NE subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \subsection{Horizontal ethylene unit (broad type)} -% -% The macro |\Ethylene| typesets ethylene derivatives. -% The following numbering is adopted in this macro. -% \changes{v1.02}{1998/10/20}{New command: \cs{Ethylene}} -% -% \begin{verbatim} -% ***************** -% * ethylene unit * -% ***************** -% -% 1 4 -% ` / -% ` / -% 120 (1)===(2) 120 (1) <== the original point -% / ` -% / ` -% 2 3 -% \end{verbatim} -% -% \begin{verbatim} -% \Ethylene[BONDLIST]{ATOMLIST}{SUBSLIST} -% \end{verbatim} -% -% The arugument |BONDLIST| designates the bond between atom (1) and -% atom (2) as well as charges on these centeral atoms. -% -% \begin{verbatim} -% BONDLIST: list of inner bonds and charges -% -% {n+} : + charge (or another one chararacter) on n-atom -% d : inner double bond (between (1) and (2)) -% t : inner triple bond (between (1) and (2)) -% \end{verbatim} -% -% The arugument |SUBLIST| designates a set of substitutients. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 4 -% -% nT : triple bond at n-atom -% nD : double bond at n-atom -% n or nS : single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% \end{verbatim} -% -% The arugument |ATOMLIST| designates the list of central atoms. -% -% \begin{verbatim} -% ATOMLIST: list of central atoms -% n : atom for n-position (e.g. 1==C) -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \Ethylene{}{1==Cl;2==F} -% \Ethylene{}{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylethylenepositiona}, -% \cs{ylethylenepositionb}, -% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\Ethylene} -% \begin{macro}{\@Ethylene} -% \begin{macrocode} -\def\Ethylene{\@ifnextchar[{\@ethylene}{\@ethylene[]}} -\def\@ethylene[#1]#2#3{% -\@reset@ylsw% -\ylethylenepositiona{#3}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -\ylethylenepositionb{#3}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-230}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(800,600)(-300,-300) - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `ethylene' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -{\def\aaa{#1}\ifx\aaa\empty% - \multiput(42,-13)(0,25){2}{\line(1,0){140}}\fi% double bond -}% -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 1\relax {\putratom{-27}{60}{\scriptsize\@@tmpb}}% - \else\if\@@tmpa 2\relax {\putratom{203}{60}{\scriptsize\@@tmpb}}% - \else\if\@@tmpa d\relax% - {\multiput(42,-13)(0,25){2}{\line(1,0){140}}}% double bond - \else\if\@@tmpa t\relax% - {\multiput(42,-20)(0,20){3}{\line(1,0){140}}}% triple bond right - \fi\fi\fi\fi}% -{\def\aaa{#2}% -\ifx\aaa\empty% -\putratom{-40}{-33}{C}%central atom -\putratom{190}{-33}{C}%central atom -\else% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifcase\@tmpa% -\or\putratom{-40}{-33}{\@memberb}%central atom -\or\putratom{190}{-33}{\@memberb}%central atom -\fi\fi}%end of ifcase -\fi% -}% -\@forsemicol\member:=#3\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa% -\or\put(0,0){\NWBOND}% -\or\put(0,0){\SWBOND}% -\or\put(230,0){\SEBOND}% -\or\put(230,0){\NEBOND}% -\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro Ethylene -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\Ethyleneh} -% \begin{macrocode} -\let\Ethyleneh=\Ethylene -% \end{macrocode} -% \end{macro} -% -% \subsection{Vertical ethylene unit (narrow type)} -% -% The macro |\ethylenev| typesets ethylene derivatives in a -% vatical manner. -% The following numbering is adopted in this macro. -% -% \begin{verbatim} -% **************************** -% * ethylene unit (vertical) * -% **************************** -% -% The following numbering is adopted in this macro. -% -% 4 3 -% ` 90 / -% ` / -% (2) -% || -% || -% (1) <== the original point -% / ` -% / 90 ` -% 1 2 -% -% \end{verbatim} -% -% \begin{verbatim} -% \ethylenev[BONDLIST]{ATOMLIST}{SUBSLIST} -% \end{verbatim} -% -% \begin{verbatim} -% BONDLIST: list of inner bonds and charges -% -% {n+} : + charge (or another one chararacter) on n-atom -% d : inner double bond (between (1) and (2)) -% t : inner triple bond (between (1) and (2)) -% \end{verbatim} -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 4 -% -% nT : triple bond at n-atom -% nD : double bond at n-atom -% n or nS : single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% \end{verbatim} -% -% \begin{verbatim} -% ATOMLIST: list of central atoms -% n : atom for n-position (e.g. 1==C) -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \ethylenev{1==Cl;2==F} -% \ethylenev{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylethylenevpositiona}, -% \cs{ylethylenevpositionb}, -% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\ethylenev} -% \begin{macro}{\@ethylenev} -% \begin{macrocode} -\def\ethylenev{\@ifnextchar[{\@ethylenev}{\@ethylenev[]}} -\def\@ethylenev[#1]#2#3{% -\@reset@ylsw% -\ylethylenevpositiona{#3}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -\ylethylenevpositionb{#3}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{-230}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(600,800)(-300,-300) - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `ethylenev' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -\def\aaa{#1}\ifx\aaa\empty% - \put(-20,47){\line(0,1){140}}% vertical - \put(6,47){\line(0,1){140}}\fi% double bond -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 1\relax \putratom{37}{0}{\scriptsize\@@tmpb} - \else\if\@@tmpa 2\relax \putratom{37}{216}{\scriptsize\@@tmpb} - \else\if\@@tmpa d\relax% - \put(-13,47){\line(0,1){140}}% vertical - \put(13,47){\line(0,1){140}}% double bond - \else\if\@@tmpa t\relax% - \put(-20,47){\line(0,1){140}}% vertical - \put(-0,47){\line(0,1){140}}% triple bond - \put(20,47){\line(0,1){140}}% - \fi\fi\fi\fi}% -\def\aaa{#2}% -\ifx\aaa\empty% -\putratom{-40}{-33}{C}%central atom -\putratom{-40}{197}{C}%central atom -\else% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifcase\@tmpa% -\or\putratom{-40}{-33}{\@memberb}%central atom -\or\putratom{-40}{197}{\@memberb}%central atom -\fi\fi}%end of ifcase -\fi% -\@forsemicol\member:=#3\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa% -\or\put(0,0){\SWbond}% -\or\put(0,0){\SEbond}% -\or\put(0,230){\NEbond}% -\or\put(0,230){\NWbond}% -\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro ethylenev -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The commands |\ylethylenevpositiona| and |\ylethylenevpositiona| -% are used in |\ethylenev| to adjust a substitution position. -% \changes{v1.02}{1998/10/20}{Newly added command: -% \cs{ylethylenevpositiona} and \cs{ylethylenevpositionb}} -% -% \begin{macro}{\ylethylenepositiona} -% \begin{macro}{\ylethylenepositionb} -% \begin{macrocode} -\def\ylethylenevpositiona#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or \gdef\@ylii{50}\gdef\@yli{47}\global\@ylswtrue% SW subst. on 1 - \or \gdef\@ylii{-40}\gdef\@yli{47}\global\@ylswtrue% SE subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -\def\ylethylenevpositionb#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or%omit - \or%omit - \or \gdef\@ylii{-40}\gdef\@yli{-47}\global\@ylswtrue% NE subst. on 1 - \or \gdef\@ylii{50}\gdef\@yli{-47}\global\@ylswtrue% NW subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \subsection{Vertical ethylene unit (broad type)} -% -% The macro |\Ethylenev| typesets ethylene derivatives in a -% vatical manner. -% The following numbering is adopted in this macro. -% -% \begin{verbatim} -% **************************** -% * ethylene unit (vertical) * -% **************************** -% -% 4 3 -% ` 120 / -% ` / -% (2) -% || -% || -% (1) <== the original point -% / ` -% / 120 ` -% 1 2 -% \end{verbatim} -% -% \begin{verbatim} -% \Ethylenev[BONDLIST]{ATOMLIST}{SUBSLIST} -% \end{verbatim} -% -% \begin{verbatim} -% BONDLIST: list of inner bonds and charges -% -% {n+} : + charge (or another one chararacter) on n-atom -% d : inner double bond (between (1) and (2)) -% t : inner triple bond (between (1) and (2)) -% \end{verbatim} -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 4 -% -% nT : triple bond at n-atom -% nD : double bond at n-atom -% n or nS : single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% \end{verbatim} -% -% \begin{verbatim} -% ATOMLIST: list of central atoms -% n : atom for n-position (e.g. 1==C) -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \Ethylenev{1==Cl;2==F} -% \Ethylenev{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylethylenevpositiona}, -% \cs{ylethylenevpositionb}, -% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\Ethylenev} -% \begin{macro}{\@Ethylenev} -% \begin{macrocode} -\def\Ethylenev{\@ifnextchar[{\@Ethylenev}{\@Ethylenev[]}} -\def\@Ethylenev[#1]#2#3{% -\@reset@ylsw% -\ylethylenevpositiona{#3}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -\ylethylenevpositionb{#3}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{-230}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(600,800)(-300,-300) - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `Ethylenev' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -\def\aaa{#1}\ifx\aaa\empty% - \put(-20,47){\line(0,1){140}}% vertical - \put(6,47){\line(0,1){140}}\fi% double bond -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 1\relax \putratom{37}{0}{\scriptsize\@@tmpb} - \else\if\@@tmpa 2\relax \putratom{37}{216}{\scriptsize\@@tmpb} - \else\if\@@tmpa d\relax% - \put(-13,47){\line(0,1){140}}% vertical - \put(13,47){\line(0,1){140}}% double bond - \else\if\@@tmpa t\relax% - \put(-20,47){\line(0,1){140}}% vertical - \put(-0,47){\line(0,1){140}}% triple bond - \put(20,47){\line(0,1){140}}% - \fi\fi\fi\fi}% -\def\aaa{#2}% -\ifx\aaa\empty% -\putratom{-40}{-33}{C}%central atom -\putratom{-40}{197}{C}%central atom -\else% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifcase\@tmpa% -\or\putratom{-40}{-33}{\@memberb}%central atom -\or\putratom{-40}{197}{\@memberb}%central atom -\fi\fi}%end of ifcase -\fi% -\@forsemicol\member:=#3\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa% -\or\put(0,0){\SWBond}% -\or\put(0,0){\SEBond}% -\or\put(0,230){\NEBond}% -\or\put(0,230){\NWBond}% -\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro Ethylenev -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \section{Square unit} -% -% The macro |\square| typesets a compound of tetravalency. -% The following numbering is adopted in this macro. -% -% \begin{verbatim} -% *************** -% * square unit * -% *************** -% -% The following numbering is adopted in this macro. -% -% 4 1 -% ` / -% ` / -% (0) <== the original point -% / ` -% / ` -% 3 2 -% -% \end{verbatim} -% -% This macro has an argument |SUBSLIST| as well as an optional -% argument |AUXLIST|. -% -% \begin{verbatim} -% \square[AUXLIST]{SUBSLIST} -% \end{verbatim} -% -% The arugument |AUXLIST| designates an character on the central -% atom of the formula drawn by this macro. It can be used a plus -% or minus charge on the center. -% -% \begin{verbatim} -% AUXLIST = -% -% {0+}: + charge (or another one chararacter) on the center -% \end{verbatim} -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 4 -% -% nT : triple bond at n-atom -% nD : double bond at n-atom -% n or nS : single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% -% for 0 : cetral atom (e.g. 0==C) -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \square{0==C;1==Cl;2==F} -% \square{0==C;1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylsquareposition}, -% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\square} -% \begin{macro}{\@square} -% \begin{macrocode} -\def\square{\@ifnextchar[{\@square[r}{\@square[r]}} -\def\@square#1]#2{% -\@reset@ylsw% -\ylsquareposition{#2}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(600,600)(-300,-300) - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `square' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 0\relax {\putratom{37}{0}{\scriptsize\@@tmpb}}\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa {\putlratom{-40}{-33}{\@memberb}}%central atom -\or\put(0,0){\NEbond}% -\or\put(0,0){\SEbond}% -\or\put(0,0){\SWbond}% -\or\put(0,0){\NWbond}% -\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro square -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The commands |\ylsquarepositiona| and |\ylsquarepositiona| -% are used in |\square| to adjust a substitution position. -% \changes{v1.02}{1998/10/20}{Newly added command: \cs{ylsquareposition}} -% -% \begin{macro}{\ylsquareposition} -% \begin{macrocode} -\def\ylsquareposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or \gdef\@ylii{-40}\gdef\@yli{-47}\global\@ylswtrue% NE subst. on 1 - \or \gdef\@ylii{-40}\gdef\@yli{47}\global\@ylswtrue% SE subst. on 1 - \or \gdef\@ylii{50}\gdef\@yli{47}\global\@ylswtrue% SW subst. on 1 - \or \gdef\@ylii{50}\gdef\@yli{-47}\global\@ylswtrue% NW subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% -% \section{Ball-stick models} -% \subsection{Tetrahedral unit of stereo type} -% -% The macro |\tetrastereo| typesets a tetrahedral unit in a -% ball-stick fashion. -% The following numbering is adopted in this macro. -% -% \begin{verbatim} -% ***************************** -% * tetrahedral unit (stereo) * -% ***************************** -% -% The following numbering is adopted in this macro. -% -% 1 -% -% | -% 2 -- 0 -- 4 0 <== the original point -% | -% -% 3 -% \end{verbatim} -% -% This macro has an argument |SUBSLIST| as well as an optional -% argument |AUXLIST|. -% -% \begin{verbatim} -% \tetrastereo[AUXLIST]{SUBSLIST} -% \end{verbatim} -% -% The arugument |AUXLIST| designates an character on the central -% atom of the formula drawn by this macro. It can be used a plus -% or minus charge on the center. -% -% \begin{verbatim} -% AUXLIST = -% -% {0+} : + charge (or another one chararacter) on the center -% \end{verbatim} -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 4 -% -% n : single bond at n-atom -% -% for 0 : cetral atom (e.g. 0==C) -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \tetrastereo{1==Cl;2==F} -% \tetrastereo{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% \begin{macro}{\tetrastereo} -% \begin{macro}{\@tetrastero} -% \begin{macrocode} -\def\tetrastereo{\@ifnextchar[{\@tetrastereo[r}{\@tetrastereo[r]}} -\def\@tetrastereo#1]#2{% -\begin{picture}(600,600)(-300,-300) - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `tetrastero' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\put(0,0){\circle{200}}% -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 0\relax \putratom{87}{90}{\scriptsize\@@tmpb}\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifcase\@tmpa \putlratom{-40}{-33}{\@memberb}%central atom -\or% - \put(0,100){\line(0,1){70}}% behind - \putlratom{-30}{180}{\@memberb}% and up -\or% - {\thicklines% - \put(-60,10){\line(-5,2){140}}% in front - \putlatom{-205}{30}{\@memberb}}% and left -\or% - \put(0,-100){\line(0,-1){90}}% behind and - \putlratom{-30}{-260}{\@memberb}% down -\or% - {\thicklines% - \put(60,10){\line(5,2){140}}% in front - \putratom{210}{30}{\@memberb}}% and right -\fi\fi}%end of ifcase -\end{picture}}%end of macro tetrastereo -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \subsection{Tetrahedral unit of inverse stereo type} -% -% The macro |\dtetrastereo| typesets another tetrahedral unit in a -% ball-stick fashion. -% The following numbering is adopted in this macro. -% -% \begin{verbatim} -% ***************************** -% * tetrahedral unit (stereo) * -% ***************************** -% -% The following numbering is adopted in this macro. -% -% 1 -% -% | -% 2 -- 0 -- 4 0 <== the original point -% | -% -% 3 -% \end{verbatim} -% -% This macro has an argument |SUBSLIST| as well as an optional -% argument |AUXLIST|. -% -% \begin{verbatim} -% \dtetrastereo[AUXLIST]{SUBSLIST} -% \end{verbatim} -% -% The arugument |AUXLIST| designates an character on the central -% atom of the formula drawn by this macro. It can be used a plus -% or minus charge on the center. -% -% \begin{verbatim} -% AUXLIST = -% -% {0+} : + charge (or another one chararacter) on the center -% \end{verbatim} -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 4 -% -% n : single bond at n-atom -% -% for 0 : cetral atom (e.g. 0==C) -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \dtetrastereo{1==Cl;2==F} -% \dtetrastereo{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% \begin{macro}{\dtetrastereo} -% \begin{macro}{\@dtetrastereo} -% \begin{macrocode} -\def\dtetrastereo{\@ifnextchar[{\@dtetrastereo[r}{\@dtetrastereo[r]}} -\def\@dtetrastereo#1]#2{% -\begin{picture}(600,600)(-300,-300) - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `dtetrastero' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\put(0,0){\circle{200}}% -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 0\relax \putratom{87}{90}{\scriptsize\@@tmpb}\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifcase\@tmpa \putlratom{-40}{-33}{\@memberb}%central atom -\or% - \put(0,100){\line(0,1){70}}% behind - \putlratom{-30}{180}{\@memberb}% and up -\or% - \put(-94,-10){\line(-5,-2){108}}% in back - \putlatom{-205}{-110}{\@memberb}% and left -\or% - {\thicklines% - \put(0,-50){\line(0,-1){150}}% behind and - \putlratom{-30}{-260}{\@memberb}}% down -\or% - \put(94,-10){\line(5,-2){108}}% in back - \putratom{210}{-110}{\@memberb}% and right -\fi\fi}%end of ifcase -\end{picture}}%end of macro dtetrastereo -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \subsection{Ethane unit of stereo type} -% -% The macro |\ethanestereo| typesets an ethane molecule in a -% ball-stick fashion. -% The following numbering is adopted in this macro. -% -% \begin{verbatim} -% ************************** -% * ethane unit (vertical) * -% ************************** -% -% 5 -% | -% 6 -- (2) -- 4 -% | -% | -% 1 -- (1) -- 3 <== the original point -% | -% 2 -% \end{verbatim} -% -% This macro has an argument |SUBSLIST| as well as an optional -% argument |AUXLIST|. -% -% \begin{verbatim} -% \ethanestereo[AUXLIST]{ATOMLIST}{SUBSLIST} -% \end{verbatim} -% -% \begin{verbatim} -% AUXLIST: list of charges -% -% {n+} : + charge (or another one chararacter) on n-atom -% \end{verbatim} -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 6 -% -% n : single bond at n-atom -% -% \end{verbatim} -% -% \begin{verbatim} -% ATOMLIST: list of central atoms -% -% n : atom for n-position (e.g. 1==C) -% -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \ethanestereo{1==Cl;2==F} -% \ethanestereo{1==C;2==C}{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% \begin{macro}{\ethanestereo} -% \begin{macro}{\@ethanestereo} -% \begin{macrocode} -\def\ethanestereo{\@ifnextchar[{\@ethanestereo}{\@ethanestereo[]}} -\def\@ethanestereo[#1]#2#3{% -\begin{picture}(600,800)(-300,-300) - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `ethanestereo' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\put(0,0){\circle{200}}% -\put(0,270){\circle{200}}% -\put(0,100){\line(0,1){70}}% central bond -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 1\relax \putratom{87}{90}{\scriptsize\@@tmpb} - \else\if\@@tmpa 2\relax \putratom{87}{360}{\scriptsize\@@tmpb} - \fi\fi}% -\def\aaa{#2}% -\ifx\aaa\empty\else% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifcase\@tmpa% -\or\putratom{-40}{-33}{\@memberb}%central atom -\or\putratom{-40}{237}{\@memberb}%central atom -\fi\fi}%end of ifcase -\fi% -\@forsemicol\member:=#3\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifcase\@tmpa \putlratom{-40}{-33}{\@memberb}%central atom -\or% - \put(-94,-10){\line(-5,-2){108}}% in back - \putlatom{-205}{-110}{\@memberb}% and left -\or% - {\thicklines% - \put(0,-50){\line(0,-1){150}}% behind and - \putlratom{-30}{-260}{\@memberb}}% down -\or% - \put(94,-10){\line(5,-2){108}}% in back - \putratom{210}{-110}{\@memberb}% and right -% %%%%%%%% -\or% - {\thicklines% - \put(60,280){\line(5,2){140}}% in front - \putratom{210}{300}{\@memberb}}% and right -\or% - \put(0,370){\line(0,1){70}}% behind - \putlratom{-30}{450}{\@memberb}% and up -\or% - {\thicklines% - \put(-60,280){\line(-5,2){140}}% in front - \putlatom{-205}{300}{\@memberb}}% and left -\fi\fi}%end of ifcase -\end{picture}}%end of macro ethanestereo -% -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \Finale -% -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/aliphat.ins b/Master/texmf-dist/source/latex/xymtex/aliphat.ins deleted file mode 100644 index 3339089e203..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/aliphat.ins +++ /dev/null @@ -1,50 +0,0 @@ -\def\batchfile{aliphat.ins} -\input docstrip.tex -\preamble - -This is a generated file. - -Copyright 1996, 1998 by Shinsaku Fujita - -This file is part of the XyMTeX system. -======================================= - -Version 1.01 Released on August 16, 1996 -Version 1.02 Released on October 31, 1996 -Version 2.00 Released on December 25, 1998 - -Copyright (C) 1996, 1998 by Shinsaku Fujita, all rights reserved. -This style file is created for drawing chemical structural formulas -This style file is to be contained in the ``xymtex'' directory which -is an input directory for TeX. - -Copying of this file is authorized only if either - - (1) you make absolutely no changes to your copy, including name and - directory name - (2) if you do make changes, - (a) you name it something other than the names included in the - ``xymtex'' directory and - (b) you acknowledge the original name. - This restriction ensures that all standard styles are identical. - -======================================= - -This file contains several codes modified from latex.tex (LaTeX2.09) -and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -Copyright 1994 the LaTeX3 project and the individual authors (For further -copyright information see the file legal.txt of the LaTeX2e standard -distribution, and any other copyright indicated in this file.) - -\endpreamble - -\keepsilent - -\generateFile{aliphat.drv}{t}{% - \from{aliphat.dtx}{driver}} - -\generateFile{aliphat.sty}{t}{% - \from{aliphat.dtx}{aliphat}} - -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/carom.drv b/Master/texmf-dist/source/latex/xymtex/carom.drv deleted file mode 100644 index 447472204cd..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/carom.drv +++ /dev/null @@ -1,82 +0,0 @@ -%% -%% This is file `carom.drv', -%% generated with the docstrip utility. -%% -%% The original source files were: -%% -%% carom.dtx (with options: `driver') -%% -%% This is a generated file. -%% -%% Copyright 1996, 1988, 2000 by Shinsaku Fujita -%% -%% This file is part of the XyMTeX system. -%% ======================================= -%% -%% Version 1.01 Released on August 16, 1996 -%% Version 1.02 Released on October 31, 1998 -%% Version 2.00 Released on December 25, 1998 -%% Version 2.00a Released on June 14, 2000 -%% -%% Copyright (C) 1996,1998,2000 by Shinsaku Fujita, all rights reserved. -%% This style file is created for drawing chemical structural formulas -%% This style file is to be contained in the ``xymtex'' directory which -%% is an input directory for TeX. -%% -%% Copying of this file is authorized only if either -%% -%% (1) you make absolutely no changes to your copy, including name and -%% directory name -%% (2) if you do make changes, -%% (a) you name it something other than the names included in the -%% ``xymtex'' directory and -%% (b) you acknowledge the original name. -%% This restriction ensures that all standard styles are identical. -%% -%% ======================================= -%% -%% This file contains several codes modified from latex.tex (LaTeX2.09) -%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -%% Copyright 1994 the LaTeX3 project and the individual authors (For further -%% copyright information see the file legal.txt of the LaTeX2e standard -%% distribution, and any other copyright indicated in this file.) -%% -%% File: carom.dtx -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -\NeedsTeXFormat{pLaTeX2e} -\ProvidesFile{carom.dtx}[2000/06/14 v2.00a XyMTeX{} package file] -\documentclass{ltxdoc} -\GetFileInfo{carom.dtx} -\def\UPSILON{\char'7} -\def\XyM{X\kern-.30em\smash{% -\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}} -\def\XyMTeX{\XyM\kern-.1em\TeX} -\title{Drawing carbocyclic compounds by {\sffamily carom.sty} -(\fileversion) of \XyMTeX{}} -\author{Shinsaku Fujita \\ -Department of Chemistry and Materials Technology, \\ -Kyoto Institute of Technology, \\ -Matsugasaki, Sakyoku, Kyoto, 606-8585 Japan -} -\date{\filedate} -\begin{document} - \maketitle - \DocInput{carom.dtx} -\end{document} -\endinput -%% -%% End of file `carom.drv'. diff --git a/Master/texmf-dist/source/latex/xymtex/carom.dtx b/Master/texmf-dist/source/latex/xymtex/carom.dtx deleted file mode 100644 index 096112e2511..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/carom.dtx +++ /dev/null @@ -1,4615 +0,0 @@ -% \iffalse meta-comment -%% File: carom.dtx -% -% Copyright 1993,1996,1998,2000 by Shinsaku Fujita -% -% This file is part of XyMTeX system. -% ------------------------------------- -% -% This file is a successor to: -% -% carom.sty -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 1.00} -% \typeout{ -- Released December 1, 1993 by Shinsaku Fujita} -% Copyright (C) 1993 by Shinsaku Fujita, all rights reserved. -% -% This file is a part of the macro package ``XyMTeX'' which has been -% designed for typesetting chemical structural formulas. -% -% This file is to be contained in the ``xymtex'' directory which is -% an input directory for TeX. It is a LaTeX optional style file and -% should be used only within LaTeX, because several macros of the file -% are based on LaTeX commands. -% -% For the review of XyMTeX, see -% (1) Shinsaku Fujita, ``Typesetting structural formulas with the text -% formatter TeX/LaTeX'', Computers and Chemistry, in press. -% The following book deals with an application of TeX/LaTeX to -% preparation of manuscripts of chemical fields: -% (2) Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' -% Tokyo Kagaku Dozin, Tokyo (1993) [in Japanese]. -% -% Copying of this file is authorized only if either -% (1) you make absolutely no changes to your copy, including name and -% directory name; or -% (2) if you do make changes, -% (a) you name it something other than the names included in the -% ``xymtex'' directory and -% (b) you are requested to leave this notice intact. -% This restriction ensures that all standard styles are identical. -% -% Please report any bugs, comments, suggestions, etc. to: -% Shinsaku Fujita, -% Department of Chemistry and Materials Technology, -% Kyoto Institute of Technology, -% Matsugasaki, Sakyoku, Kyoto, 606, Japan -% -% New address: -% Shinsaku Fujita, -% Department of Chemistry and Materials Technology, -% Kyoto Institute of Technology, \\ -% Matsugasaki, Sakyoku, Kyoto, 606 Japan -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{carom} -% \def\versi@ndate{August 16, 1996} -% \def\versi@nno{ver1.01} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% -% Please report any bugs, comments, suggestions, etc. to: -% Shinsaku Fujita, -% Ashigara Research Laboratories, Fuji Photo Film Co., Ltd., -% Minami-Ashigara, Kanagawa-ken, 250-01, Japan. -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{carom} -% \def\versi@ndate{December 01, 1993} -% \def\versi@nno{ver1.00} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{carom} -% \def\versi@ndate{August 16, 1996} -% \def\versi@nno{ver1.01} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{carom} -% \def\versi@ndate{October 31, 1998} -% \def\versi@nno{ver1.02} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{carom} -% \def\versi@ndate{December 25, 1998} -% \def\versi@nno{ver2.00} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% -% \fi -% -% \CheckSum{3134} -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -% -% \setcounter{StandardModuleDepth}{1} -% -% \StopEventually{} -% \MakeShortVerb{\|} -% -% \iffalse -% \changes{v1.01}{1996/08/16}{first edition for LaTeX2e} -% \changes{v1.02}{1998/10/31}{revised edition for LaTeX2e} -% \changes{v2.00}{1998/12/25}{enhanced edition for LaTeX2e} -% \changes{v2.00a}{2000/06/14}{bug fix} -% \fi -% -% \iffalse -%<*driver> -\NeedsTeXFormat{pLaTeX2e} -% \fi -% \ProvidesFile{carom.dtx}[1998/12/25 v2.00 XyMTeX{} package file] -\ProvidesFile{carom.dtx}[2000/06/14 v2.00a XyMTeX{} package file] -% \iffalse -\documentclass{ltxdoc} -\GetFileInfo{carom.dtx} -% -% %%XyMTeX Logo: Definition 2%%% -\def\UPSILON{\char'7} -\def\XyM{X\kern-.30em\smash{% -\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}} -\def\XyMTeX{\XyM\kern-.1em\TeX} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\title{Drawing carbocyclic compounds by {\sffamily carom.sty} -(\fileversion) of \XyMTeX{}} -\author{Shinsaku Fujita \\ -Department of Chemistry and Materials Technology, \\ -Kyoto Institute of Technology, \\ -Matsugasaki, Sakyoku, Kyoto, 606-8585 Japan -% % (old address) -% % Ashigara Research Laboratories, -% % Fuji Photo Film Co., Ltd., \\ -% % Minami-Ashigara, Kanagawa, 250-01 Japan -} -\date{\filedate} -% -\begin{document} - \maketitle - \DocInput{carom.dtx} -\end{document} -% -% \fi -% -% \section{Introduction}\label{carom:intro} -% -% \subsection{Options for {\sffamily docstrip}} -% -% \DeleteShortVerb{\|} -% \begin{center} -% \begin{tabular}{|l|l|} -% \hline -% \emph{option} & \emph{function}\\ \hline -% carom & carom.sty \\ -% driver & driver for this dtx file \\ -% \hline -% \end{tabular} -% \end{center} -% \MakeShortVerb{\|} -% -% \subsection{Version Information} -% -% \begin{macrocode} -%<*carom> -\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00} -\typeout{ -- Released December 25, 1998 by Shinsaku Fujita} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\def\j@urnalname{carom} -\def\versi@ndate{June 14, 2000} -\def\versi@nno{ver2.00a} -\def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>% -\space[\copyrighth@lder]} -% \end{macrocode} -% -% \section{List of commands for carom.sty} -% -% \begin{verbatim} -% ******************************* -% * carom.sty: list of commands * -% ******************************* -% -% -% -% \cyclohexanev \@cyclohexanev -% \bzdrv \@bzdrv -% \decalinev \@decalinev -% \decalinevb \@decalinevb -% \decalinevt \@decalinevt -% \naphdrv \@naphdrv -% \naphdrvb \@naphdrvb -% \naphdrvt \@naphdrvt -% \tetralinev \@tetralinev -% \tetralinevb \@tetralinevb -% \tetralinevt \@tetralinevt -% \hanthracenev \@hanthracenev -% \anthracenev \@anthracenev -% \hphenanthrenev \@hphenanthrenev -% \phenanthrenev \@phenanthrenev -% \steroid \@steroid -% \steroidchain \@steroidchain -% \end{verbatim} -% -% \begin{verbatim} -% -% -% \cyclohexaneh \@cyclohexaneh -% \bzdrh \@bzdrh -% \decalineh \@decalineh -% \naphdrh \@naphdrh -% \tetralineh \@tetralineh -% -% \end{verbatim} -% -% \section{Input of basic macros} -% -% To assure the compatibility to \LaTeX{}2.09 (the native mode), -% the commands added by \LaTeXe{} have not been used in the resulting sty -% files ({\sf carom.sty} for the present case). Hence, the combination -% of |\input| and |\@ifundefined| is used to crossload sty -% files ({\sf chemstr.sty} for the present case) in place of the -% |\RequirePackage| command of \LaTeXe{}. -% \begin{macrocode} -% ************************* -% * input of basic macros * -% ************************* -\@ifundefined{setsixringv}{\input chemstr.sty\relax}{} -\@ifundefined{decaheterov}{\input hetarom.sty\relax}{} -\@ifundefined{decaheteroh}{\input hetaromh.sty\relax}{} -\unitlength=0.1pt -% \end{macrocode} -% -% \section{Cyclohexane derivatives} -% \subsection{Vertical cyclohexanes} -% -% The macro |\cyclohexanev| is used for drawing cyclohexane derivatives -% of vertical type. The skeleton and endocyclic double bonds are -% drawn directly, while substituents and exocyclic bonds are placed by -% useing the inner macro |\setsixringv|. -% -% \begin{verbatim} -% *************************** -% * cyclohexane derivatives * -% * (vertical type) * -% *************************** -% The following numbering is adopted in this macro. -% -% 1 -% * -% 6 * * 2 -% | | -% | | -% 5 * * 3 -% * -% 4 <===== the original point -% -% \end{verbatim} -% -% The macro |\cyclohexanev| has an argument |SUBSLIST| as well as an optional -% argument |BONDLIST|. -% \begin{verbatim} -% \cyclohexanev[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one or more -% characters selected form a to f as well as A, each of which indicates -% the presence of an inner (endcyclic) double bond on the corresponding -% position. -% -% \begin{verbatim} -% BONDLIST = -% -% none : cyclohexane -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,6-double bond -% f : 6,1-double bond -% A : aromatic circle -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 6 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specifed) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \cyclohexanev{1==Cl;2==F} -% \cyclohexanev[c]{1==Cl;4==F;2==CH$_{3}$} -% \cyclohexanev[eb]{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl} -% \end{verbatim} -% -% \begin{macro}{\cyclohexanev} -% \begin{macrocode} -\def\cyclohexanev{\@ifnextchar[{\@cyclohexanev[@}{\@cyclohexanev[@]}} -\def\@cyclohexanev[#1]#2{\sixheterov[#1]{}{#2}} -% \end{macrocode} -% \end{macro} -% -% The following definition has been deleted. -% -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/11/23}{Adding \cs{set@fusionadd@sixv}} -% -% \begin{verbatim} -% (Old defition) -% % \begin{macro}{\cyclohexanev} -% % \begin{macrocode} -% \def\cyclohexanev{\@ifnextchar[{\@cyclohexanev[@}{\@cyclohexanev[@]}} -% \def\@cyclohexanev[#1]#2{% -% \iniatom\iniflag%initialize -% \@reset@ylsw% -% \ylposition{#2}{0}{0}{7}{0}% -% \if@ylsw -% \yl@shiftii=\@ylii -% \yl@shifti=\@yli -% \advance\yl@shiftii\yl@xdiff -% \advance\yl@shifti\yl@ydiff -% \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) -% \reset@yl@xydiff%1999/1/6 by S. Fujita -% \else -% \begin{picture}(800,880)(-\shiftii,-\shifti) -% \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% -% \put(-\noshift,-\noshift){\circle{50}}% -% \typeout{command `cyclohexanev' origin: % -% (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -% \fi -% \put(0,406){\line(-5,-3){171}}% %bond 1-6 8-7 -% \put(0,406){\line(5,-3){171}}% %bond 1-2 8-8a -% \put(0,0){\line(-5,3){171}}% %bond 4-5 5-6 -% \put(0,0){\line(5,3){171}}% %bond 4-3 5-4a -% \put(171,103){\line(0,1){200}}% %bond 3-2 4a-8a -% \put(-171,103){\line(0,1){200}}% %bond 5-6 6-7 -% \@tfor\member:=#1\do{% -% \if\member r%no endocyclic double bonds -% \else\if\member a% -% \put(6,364){\line(5,-3){126}}% %double bond 1-2 8-8a -% \else\if\member b% -% \put(138,129){\line(0,1){148}}% %double bond 3-2 4a-8a -% \else\if\member c% -% \put(6,42){\line(5,3){126}}% %double bond 4-3 5-4a -% \else\if\member d% -% \put(-6,42){\line(-5,3){126}}% %double bond 4-5 5-6 -% \else\if\member e% -% \put(-138,129){\line(0,1){148}}% %double bond 5-6 6-7 -% \else\if\member f% -% \put(-6,364){\line(-5,-3){126}}% %double bond 1-6 8-7 -% \else\if\member A%left aromatic circle -% \put(0,203){\circle{240}} %circle -% \else \expandafter\twoCH@@R\member//% -% \set@fusionadd@sixv -% \fi\fi\fi\fi\fi\fi\fi\fi}% -% % %%%%%%%%%%%%%%%%%%%%%%%% -% % % setting substituents % -% % %%%%%%%%%%%%%%%%%%%%%%%% -% \setsixringv{#2}{0}{0}{7}{0}% -% \end{picture}}%end of \cyclohexanev macro -% % \end{macrocode} -% % \end{macro} -% \end{verbatim} -% -% \subsection{Horizontal cyclohexanes} -% -% The macro |cyclohexaneh| is used for drawing cyclohexane derivatives -% of vertical type. The skeleton and endocyclic double bonds are -% drawn directly, while substituents and exocyclic bonds are placed by -% useing the inner macro |\setsixringh|. -% -% \begin{verbatim} -% *************************** -% * cyclohexane derivatives * -% * (horizontal type) * -% *************************** -% The following numbering is adopted in this macro. -% -% 2 3 -% ----- -% * * -% the original point ===> 1 * * 4 -% (0,0) * * -% ----- -% 6 5 -% \end{verbatim} -% -% The macro |\cyclohexaneh| has an argument |SUBSLIST| as well as an optional -% argument |BONDLIST|. -% -% \begin{verbatim} -% \cyclohexaneh[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one or more -% characters selected form a to f as well as A, each of which indicates -% the presence of an inner (endcyclic) double bond on the corresponding -% position. -% -% \begin{verbatim} -% BONDLIST = -% -% none : cyclohexane -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,6-double bond -% f : 6,1-double bond -% A : aromatic circle -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 6 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specifed) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \cyclohexaneh{1==Cl;2==F} -% \cyclohexaneh[c]{1==Cl;4==F;2==CH$_{3}$} -% \cyclohexaneh[eb]{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl} -% \end{verbatim} -% -% \changes{v2.00a}{2000/06/14}{bug fix: changed letter [r] to [@] -% in \cs{cycohexaneh} for horizontal cyclohexanes} -% -% \begin{macro}{\cyclohexaneh} -% \begin{macrocode} -\def\cyclohexaneh{\@ifnextchar[{\@cyclohexaneh[@}{\@cyclohexaneh[@]}} -\def\@cyclohexaneh[#1]#2{\sixheteroh[#1]{}{#2}} -% \end{macrocode} -% \end{macro} -% -% The following definition has been deleted. -% -% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/11/29}{Adding \cs{set@fusionadd@sixv} for -% fused rings} -% -% \begin{verbatim} -% (Old defition) -% % \begin{macro}{\cyclohexaneh} -% % \begin{macrocode} -% \def\cyclohexaneh{\@ifnextchar[{\@cyclohexaneh[@}{\@cyclohexaneh[r]}} -% \def\@cyclohexaneh[#1]#2{% -% \iniatom\iniflag%initialize -% \@reset@ylsw% -% \ylpositionh{#2}{0}{0}{7}{0}% -% \if@ylsw -% \yl@shiftii=\@ylii -% \yl@shifti=\@yli -% \advance\yl@shiftii\yl@xdiff -% \advance\yl@shifti\yl@ydiff -% \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) -% \reset@yl@xydiff%1999/1/6 by S. Fujita -% \else -% \begin{picture}(880,800)(-\shifti,-\shiftii) -% \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}% -% \put(-\noshift,-\noshift){\circle{50}}% -% \typeout{command `cyclohexaneh' origin: % -% (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi% -% \fi -% \put(0,0){\line(3,5){103}}% %bond 1-2 -% \put(0,0){\line(3,-5){103}}% %bond 1-6 -% \put(406,0){\line(-3,5){103}}% %bond 4-3 -% \put(406,0){\line(-3,-5){103}}% %bond 4-3 -% \put(103,171){\line(1,0){200}}% %bond 2-3 -% \put(103,-171){\line(1,0){200}}% %bond 6-5 -% \@tfor\member:=#1\do{% -% \if\member r%no endcyclic double bonds -% \else\if\member a% -% \put(42,6){\line(3,5){78}}% %double bond 1-2 -% \else\if\member b% -% \put(129,138){\line(1,0){148}}% %double bond 2-3 -% \else\if\member c% -% \put(364,6){\line(-3,5){78}}% %double bond 4-3 -% \else\if\member d% -% \put(364,-6){\line(-3,-5){78}}% %double bond 4-5 -% \else\if\member e% -% \put(129,-138){\line(1,0){148}}% %double bond 6-5 -% \else\if\member f% -% \put(42,-6){\line(3,-5){78}}% %double bond 1-6 -% \else\if\member A%left aromatic circle -% \put(203,0){\circle{240}}% %circle -% \else -% \expandafter\twoCH@@R\member//% -% \set@fusionadd@sixh -% \fi\fi\fi\fi\fi\fi\fi\fi}% -% %% -% \setsixringh{#2}{0}{0}{7}{0}% -% \end{picture}}% %end of \cyclohexaneh macro -% % \end{macrocode} -% % \end{macro} -% \end{verbatim} -% -% \section{Benzene and benzoquinone derivatives} -% \subsection{Vertical type} -% -% The macro |\bzdrv| is used for drawing benzene derivatives -% of vertical type as well as benzoquinone derivatives of -% vertical type. The skeleton and endocyclic double bonds are -% drawn directly, while substituents and exocyclic bonds are placed by -% useing the inner macro |\cyclohexanev| defined above. -% -% The macro |\bzdrv| has an argument |SUBSLIST| as well as an optional -% argument |OPT|. The latter designates a bond pattern in place of -% individual exocyclic bonds. -% -% \begin{verbatim} -% **************************************** -% * benzene and benzoquinone derivatives * -% * (vertical type) * -% **************************************** -% -% \bzdrv[OPT]{SUBSLIST} -% \end{verbatim} -% -% The |OPT| argument contains one character (r, l or c) for designate -% aromatic bond patterns or two characters (p? or o?) for quinone -% bond patterns. -% -% \begin{verbatim} -% -% OPT: (bond pattern) -% -% none or r : right-handed set of double bonds -% l : left-handed set of double bonds -% c : aromatic circle -% -% p or pa : p-quinone (A) -% pb : p-quinone (B) -% pc : p-quinone (C) -% -% o or oa : o-quinone (A) -% ob : o-quinone (B) -% oc : o-quinone (C) -% od : o-quinone (D) -% oe : o-quinone (E) -% of : o-quinone (F) -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 6 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% \bzdrv{1==Cl;2==F} -% \bzdrv[c]{1==Cl;4==F;2==CH$_{3}$} -% \bzdrv[pa]{1D==O;4D==O;2==CH$_{3}$} -% \end{verbatim} -% -% \begin{macro}{\bzdrv} -% \begin{macrocode} -\def\bzdrv{\@ifnextchar[{\@bzdrv}{\@bzdrv[r]}} -\def\@bzdrv[#1]#2{% -\iforigpt \typeout{command `bzdrv' is based on `cyclohexanev'.}\fi% -%\expandafter\twoch@r#1{}% -\expandafter\twoCH@R#1//% -\if\@tmpa r% right-handed set of double bonds - \ifx\@tmpb\empty - \cyclohexanev[bdf]{#2}% - \fi -\else\if\@tmpa l%left-handed set of double bonds - \ifx\@tmpb\empty - \cyclohexanev[ace]{#2}% - \fi -\else\if\@tmpa c%aromatic circle - \ifx\@tmpb\empty - \cyclohexanev[A]{#2}% - \fi -\else\if\@tmpa p%p-quinone - \if\@tmpb a% (A) - \cyclohexanev[be]{#2}% - \else\ifx\@tmpb\empty% (A) - \cyclohexanev[be]{#2}% - \else\if\@tmpb b% (B) - \cyclohexanev[cf]{#2}% - \else\if\@tmpb c% (C) - \cyclohexanev[ad]{#2}% - \fi\fi\fi\fi% -\else\if\@tmpa o%o-quinone - \if\@tmpb a% (A)% - \cyclohexanev[ce]{#2}% - \else\ifx\@tmpb\empty% (A) - \cyclohexanev[ce]{#2}% - \else\if\@tmpb b%o-quinone (B) - \cyclohexanev[df]{#2}% - \else\if\@tmpb c%o-quinone (C) - \cyclohexanev[ae]{#2}% - \else\if\@tmpb d%o-quinone (D) - \cyclohexanev[bf]{#2}% - \else\if\@tmpb e%o-quinone (E) - \cyclohexanev[ac]{#2}% - \else\if\@tmpb f%o-quinone (F) - \cyclohexanev[bd]{#2}% - \fi\fi\fi\fi\fi\fi\fi% -\else% added 1998/11/15 by S. Fujita - \cyclohexanev[@#1]{#2}% -\fi\fi\fi\fi\fi% -}% %end of \bzdrv macro -% \end{macrocode} -% \end{macro} -% -% \subsection{Horizontal type} -% -% The macro |\bzdrh| is used for drawing benzene derivatives -% of vertical type as well as benzoquinone derivatives of -% vertical type. The skeleton and endocyclic double bonds are -% drawn directly, while substituents and exocyclic bonds are placed by -% useing the inner macro |\cyclohexanev| defined above. -% -% The macro |\bzdrh| has an argument |SUBSLIST| as well as an optional -% argument |OPT|. The latter designates a bond pattern in place of -% individual exocyclic bonds. -% -% \begin{verbatim} -% **************************************** -% * benzene and benzoquinone derivatives * -% * (horizontal type) * -% **************************************** -% -% \bzdrh[OPT]{SUBSLIST} -% \end{verbatim} -% -% The |OPT| argument contains one character (r, l or c) for designate -% aromatic bond patterns or two characters (p? or o?) for quinone -% bond patterns. -% -% \begin{verbatim} -% -% OPT: (bond pattern) -% -% none or r : right-handed set of double bonds -% l : left-handed set of double bonds -% c : aromatic circle -% -% p or pa : p-quinone (A) -% pb : p-quinone (B) -% pc : p-quinone (C) -% -% o or oa : o-quinone (A) -% ob : o-quinone (B) -% oc : o-quinone (C) -% od : o-quinone (D) -% oe : o-quinone (E) -% of : o-quinone (F) -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 6 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% \begin{verbatim} -% -% e.g. -% \bzdrh{1==Cl;2==F} -% \bzdrh[c]{1==Cl;4==F;2==CH$_{3}$} -% \bzdrh[pa]{1D==O;4D==O;2==CH$_{3}$} -% -% \end{verbatim} -% -% \begin{macro}{\bzdrh} -% \begin{macrocode} -\def\bzdrh{\@ifnextchar[{\@bzdrh}{\@bzdrh[r]}} -\def\@bzdrh[#1]#2{% -\iforigpt \typeout{command `bzdrh' is based on `cyclohexaneh'.}\fi% -%\expandafter\twoch@r#1{}% -\expandafter\twoCH@R#1//% -%\begin{picture}(800,880)(-\noshift,-\noshift) -\if\@tmpa r% right-handed set of double bonds - \cyclohexaneh[bdf]{#2}% -\else\if\@tmpa l%left-handed set of double bonds - \cyclohexaneh[ace]{#2}% -\else\if\@tmpa c%aromatic circle - \cyclohexaneh[A]{#2}% -\else\if\@tmpa p%p-quinone - \if\@tmpb a% (A) - \cyclohexaneh[be]{#2}% - \else\ifx\@tmpb\empty% (A) - \cyclohexaneh[be]{#2}% - \else\if\@tmpb b% (B) - \cyclohexaneh[cf]{#2}% - \else\if\@tmpb c% (C) - \cyclohexaneh[ad]{#2}% - \fi\fi\fi\fi% -\else\if\@tmpa o%o-quinone - \if\@tmpb a% (A)% - \cyclohexaneh[ce]{#2}% - \else\ifx\@tmpb\empty% (A) - \cyclohexaneh[ce]{#2}% - \else\if\@tmpb b%o-quinone (B) - \cyclohexaneh[df]{#2}% - \else\if\@tmpb c%o-quinone (C) - \cyclohexaneh[ae]{#2}% - \else\if\@tmpb d%o-quinone (D) - \cyclohexaneh[bf]{#2}% - \else\if\@tmpb e%o-quinone (E) - \cyclohexaneh[ac]{#2}% - \else\if\@tmpb f%o-quinone (F) - \cyclohexaneh[bd]{#2}% - \fi\fi\fi\fi\fi\fi\fi% -\else% added 1998/11/15 by S. Fujita - \cyclohexaneh[@#1]{#2}% -\fi\fi\fi\fi\fi% -%\end{picture} -}% %end of \bzdrh macro -% \end{macrocode} -% \end{macro} -% -% \section{Decaline derivatives} -% \subsection{Vertical type} -% -% The macro |\decalinev| is used for drawing decaline derivatives -% of vertical type. The skeleton and endocyclic double bonds are -% drawn directly, while substituents and exocyclic bonds are placed by -% useing the inner macro |\setdecaringv|. -% -% \begin{verbatim} -% ************************ -% * decaline derivatives * -% * (vertical type) * -% ************************ -% The following numbering is adopted in this macro. -% -% 8 (0G)1 -% * 8a * -% 7 * * * * 2 -% | | | -% | | | -% 6 * * * * 3 -% * 4a * -% 5 (0F)4 -% ^ -% | -% the original point -% \end{verbatim} -% -% The macro |\decalinev| has an argument |SUBSLIST| as well as an optional -% argument |BONDLIST|. -% -% \begin{verbatim} -% \decalinev[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one or more -% characters selected form a to k, each of which indicates -% the presence of an inner (endcyclic) double bond on the corresponding -% position. The character A or B indicates aromatic bond patterns (circles). -% \changes{v1.02}{1998/10/14}{BONDLIST: k and K at the fused bond} -% -% \begin{verbatim} -% BONDLIST = -% -% none : decaline -% a : 1,2-double bond -% b : 2,3-double bond -% c : 3,4-double bond -% d : 4,4a-double bond -% e : 5,4a-double bond -% f : 5,6-double bond -% g : 6,7-double bond -% h : 8,7-double bond -% i : 8,8a-double bond -% j : 1,8a-double bond -% k : 4a,8a-double bond -% K : 4a,8a-double bond in the other ring -% A : left aromatic circle -% B : right aromatic circle -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 8 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% for 0 (fused positions) -% -% 0FA : alpha single bond at 8a -% 0FB : beta single bond at 8a -% 0FU : unspecified single bond at 8a -% 0GA : alpha single bond at 4a -% 0GB : beta single bond at 4a -% 0GU : unspecified single bond at 4a -% \end{verbatim} -% -% \begin{verbatim} -% -% e.g. -% -% \decalinev{1==Cl;2==F;0FA==;0GA==} -% \decalinev[c]{1==Cl;4==F;2==CH$_{3}$} -% \decalinev[eb]{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl;7==Cl;8==Cl} -% -% \end{verbatim} -% -% The macro |\decalinev| has been changed into a subsidiary macro -% of |\decaheterov| (version 2.00). -% -% \begin{macro}{\decalinev} -% \begin{macrocode} -\def\decalinev{\@ifnextchar[{\@decalinev[@}{\@decalinev[@]}} -\def\@decalinev[#1]#2{% -\iforigpt \typeout{command `decalinev' is based on `decaheterov'.}\fi% -\decaheterov[#1]{}{#2}} -% \end{macrocode} -% \end{macro} -% -% The following definition has been stopped using. -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw} -% \cs{ylfusedposition}, -% \cs{yl@shiftii}, \cs{@ylii}, \cs{@@ylii}, \cs{yl@shifti}, \cs{@yli}, -% \cs{@yli}, \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/5}{Add: fused rings} -% -% \begin{verbatim} -% (Old definition) -% % \begin{macro}{\decalinev} -% % \begin{macrocode} -% \def\decalinev{\@ifnextchar[{\@decalinev[@}{\@decalinev[r]}} -% \def\@decalinev[#1]#2{% -% \iniflag\iniatom -% \@reset@ylsw\reset@@yl -% \ylposition{#2}{-7}{0}{2}{0}% for 8 -% \if@ylsw \ifx\@@ylii\empty -% \def\@@ylii{0}\def\@@yli{0}\fi -% \else\ylposition{#2}{-1}{3}{7}{0}% for 5 to 7 -% \fi -% \if@ylsw\ifx\@@ylii\empty -% \def\@@ylii{0}\def\@@yli{0}\fi\else -% \ylposition{#2}{0}{0}{5}{0}% for 1 to 4 -% \fi -% \if@ylsw\ifx\@@ylii\empty -% \def\@@ylii{-342}\def\@@yli{0}\fi\else -% \ylfusedposition{#2}{0}{-1}{1}{0}% for 4a and 8a -% \fi -% \if@ylsw\ifx\@@ylii\empty -% \def\@@ylii{0}\def\@@yli{0}\fi\fi -% \if@ylsw -% \yl@shiftii=\@ylii -% \ifx\@@ylii\empty\else -% \advance\yl@shiftii\@@ylii\fi -% \yl@shifti=\@yli -% \ifx\@@yli\empty\else -% \advance\yl@shifti\@@yli\fi -% \advance\yl@shiftii\yl@xdiff -% \advance\yl@shifti\yl@ydiff -% \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) -% \reset@yl@xydiff%1999/1/6 by S. Fujita -% \else -% \begin{picture}(1200,880)(-\shiftii,-\shifti) -% \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% -% \put(-\noshift,-\noshift){\circle{50}}% -% \typeout{command `decalinev' origin: % -% (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -% \fi -% \put(0,406){\line(-5,-3){171}}% %bond 8-7 1-6 -% \put(0,406){\line(5,-3){171}}% %bond 8-8a 1-2 -% \put(0,0){\line(-5,3){171}}% %bond 5-6 4-5 -% \put(0,0){\line(5,3){171}}% %bond 5-4a 4-3 -% \put(171,103){\line(0,1){200}}% %bond 4a-8a 3-2 -% \put(-171,103){\line(0,1){200}}% %bond 5-7 5-6 -% \put(342,406){\line(-5,-3){171}}% %bond 1-8a 1-6 -% \put(342,406){\line(5,-3){171}}% %bond 1-2 1-2 -% \put(342,0){\line(-5,3){171}}% %bond 4-4a 4-5 -% \put(342,0){\line(5,3){171}}% %bond 4-3 4-3 -% \put(513,103){\line(0,1){200}}% %bond 3-2 3-2 -% \@tfor\member:=#1\do{% -% \if\member r%no endcyclic double bonds -% \else\if\member a% -% \put(348,364){\line(5,-3){126}}% %double bond 1-2 -% \else\if\member b% -% \put(482,129){\line(0,1){148}}% %double bond 3-2 -% \else\if\member c% -% \put(348,42){\line(5,3){126}}% %double bond 4-3 -% \else\if\member d% -% \put(348,42){\line(-5,3){126}}% %double bond 4-4a -% \else\if\member e% -% \put(6,42){\line(5,3){126}}% %double bond 5-4a -% \else\if\member f% -% \put(-6,42){\line(-5,3){126}}% %double bond 5-6 -% \else\if\member g% -% \put(-138,129){\line(0,1){148}}% %double bond 6-7 -% \else\if\member h% -% \put(-6,364){\line(-5,-3){126}}% %double bond 8-7 -% \else\if\member i% -% \put(6,364){\line(5,-3){126}}% %double bond 8-8a -% \else\if\member j% -% \put(348,364){\line(-5,-3){126}}% %double bond 1-8a -% \else\if\member k% -% \put(138,129){\line(0,1){148}}% %double bond 4a-8a -% \else\if\member K% -% \put(204,129){\line(0,1){148}}% %double bond 4a-8a in the other ring -% \else\if\member A%left aromatic circle -% \put(0,203){\circle{240}}% %circle -% \else\if\member B%right aromatic circle -% \put(342,203){\circle{240}}% %circle -% \else -% % *********************** -% % * setting fused rings * -% % *********************** -% \expandafter\twoCH@R\member//% -% \set@fusion@decav -% \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi}% -% % \end{macrocode} -% % -% % The command |\setdecaringv{#2}{0}{-1}{9}{0}| -% % has been stopped to use and replaced -% % by the following set of commands. -% % -% % \begin{macrocode} -% \put(0,0){\setsixringv{#2}{-7}{0}{2}{0}}% for 8 -% \put(0,0){\setsixringv{#2}{-1}{3}{7}{0}}% for 5 to 7 -% \put(0,0){\setsixringv{#2}{-1}{3}{7}{0}}% for 5 to 7 -% \put(342,0){\setsixringv{#2}{0}{0}{5}{0}}% for 1 to 4 -% \put(0,0){\setfusedbond{#2}{0}{-1}{1}{0}}% for 4a and 8a -% \end{picture}}% %end of \decalinev macro -% % \end{macrocode} -% % \end{macro} -% \end{verbatim} -% -% \subsection{Vertical-bottom type} -% -% The macro |\decalinevb| is used for drawing decaline derivatives -% of vertical-bottom type (numbering from the bottom to the left-upper part). -% The word ``vertical'' means that each benzene ring is a vertical type. -% The word ``bottom'' means that the benzene ring with young locant numbers -% is located at the bottom. -% The skeleton and endocyclic double bonds are drawn directly, -% while substituents and exocyclic bonds are placed by useing -% the inner macro |\setsixringv|. -% \changes{v1.02}{1998/10/13}{Newly added command} -% -% \begin{verbatim} -% *************************** -% * decaline derivatives * -% * (vertical bottom type) * -% *************************** -% The following numbering is adopted in this macro. -% -% 7 -% * -% 6 * * 8 -% | | -% | | 0G (4a) -% 5 * * * -% 0F(4a) * * 1 -% | | -% | | -% 4 * * 2 -% * -% 3 -% ^ -% | -% the original point -% \end{verbatim} -% -% The macro |\decalinevb| has an argument |SUBSLIST| as well as an optional -% argument |BONDLIST|. -% -% \begin{verbatim} -% \decalinevb[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one or more -% characters selected form a to k, each of which indicates -% the presence of an inner (endcyclic) double bond on the corresponding -% position. The character A or B indicates aromatic bond patterns (circles). -% \changes{v1.02}{1998/10/14}{BONDLIST: k and K at the fused bond} -% -% \begin{verbatim} -% BONDLIST = -% -% none : decaline -% a : 1,2-double bond -% b : 2,3-double bond -% c : 3,4-double bond -% d : 4,4a-double bond -% e : 5,4a-double bond -% f : 5,6-double bond -% g : 6,7-double bond -% h : 8,7-double bond -% i : 8,8a-double bond -% j : 1,8a-double bond -% k : 4a,8a-double bond -% K : 4a,8a-double bond in the other ring -% A : left aromatic circle -% B : right aromatic circle -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 8 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% for 0 (fused positions) -% -% 0FA : alpha single bond at 8a -% 0FB : beta single bond at 8a -% 0FU : unspecified single bond at 8a -% 0GA : alpha single bond at 4a -% 0GB : beta single bond at 4a -% 0GU : unspecified single bond at 4a -% \end{verbatim} -% -% \begin{verbatim} -% -% e.g. -% -% \decalinevb{1==Cl;2==F;0FA==;0GA==} -% \decalinevb[c]{1==Cl;4==F;2==CH$_{3}$} -% \decalinevb[eb]{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl;7==Cl;8==Cl} -% -% \end{verbatim} -% -% The macro |\decalinevb| has been changed into a subsidiary macro -% of |\decaheterovb| (version 2.00). -% -% \begin{macro}{\decalinevb} -% \begin{macrocode} -\def\decalinevb{\@ifnextchar[{\@decalinevb[@}{\@decalinevb[@]}} -\def\@decalinevb[#1]#2{% -\iforigpt \typeout{command `decalinevb' is based on `decaheterovb'.}\fi% -\decaheterovb[#1]{}{#2}} -% \end{macrocode} -% \end{macro} -% -% The following old definition has been stopped using. -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw} -% \cs{ylfusedposition}, -% \cs{yl@shiftii}, \cs{@ylii}, \cs{@@ylii}, \cs{yl@shifti}, \cs{@yli}, -% \cs{@yli}, \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/25}{Add: Fused rings} -% -% \begin{verbatim} -% (Old definition) -% % \begin{macro}{\decalinevb} -% % \begin{macrocode} -% \def\decalinevb{\@ifnextchar[{\@decalinevb[@}{\@decalinevb[r]}} -% \def\@decalinevb[#1]#2{% -% \iniflag\iniatom -% \@reset@ylsw\reset@@yl -% \ylposition{#2}{1}{1}{6}{0}% for 1 to 4 -% \if@ylsw \ifx\@@ylii\empty -% \def\@@ylii{0}\def\@@yli{0}\fi -% \else\ylposition{#2}{0}{4}{7}{0}% for 5 to 6 -% \fi -% \if@ylsw\ifx\@@ylii\empty -% \def\@@ylii{171}\def\@@yli{-303}\fi\else -% \ylposition{#2}{-6}{0}{3}{0}% for 7 to 8 -% \fi -% \if@ylsw\ifx\@@ylii\empty -% \def\@@ylii{171}\def\@@yli{-303}\fi\else -% \ylfusedposition{#2}{2}{1}{3}{-1}% for 4a and 8a -% \fi -% \if@ylsw\ifx\@@ylii\empty -% \def\@@ylii{0}\def\@@yli{0}\fi\fi -% \if@ylsw -% \yl@shiftii=\@ylii -% \ifx\@@ylii\empty\else -% \advance\yl@shiftii\@@ylii\fi -% \yl@shifti=\@yli -% \ifx\@@yli\empty\else -% \advance\yl@shifti\@@yli\fi -% \advance\yl@shiftii\yl@xdiff -% \advance\yl@shifti\yl@ydiff -% \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) -% \reset@yl@xydiff%1999/1/6 by S. Fujita -% \else -% \begin{picture}(1000,1200)(-550,-240) -% \iforigpt \put(-550,-240){\circle*{50}}% -% \put(0,0){\circle{50}}% -% \typeout{command `decalinevb' origin: % -% (0,0) ---> (550,240)}\fi% -% \fi -% \put(0,0){\line(5,3){171}}% %bond 2-3 -% \put(0,0){\line(-5,3){171}}% %bond 4-3 -% \put(171,103){\line(0,1){200}}% %bond 2-1 -% \put(-171,103){\line(0,1){200}}% %bond 4-4a -% \put(0,406){\line(-5,-3){171}}% %bond 8a-1 -% \put(0,406){\line(5,-3){171}}% %bond 8a-4a -% \put(0,406){\line(0,1){200}}% %bond 8a-8 -% \put(-342,406){\line(0,1){200}}% %bond 5-6 3-2 -% \put(-171,303){\line(-5,3){171}}% %bond 4a-5 -% \put(-171,709){\line(-5,-3){171}}% %bond 7-6 -% \put(-171,709){\line(5,-3){171}}% %bond 7-8 -% \@tfor\member:=#1\do{% -% \if\member r%no endcyclic double bonds -% \else\if\member a% -% \put(140,129){\line(0,1){148}}% %double bond 1-2 -% \else\if\member b% -% \put(6,42){\line(5,3){126}}% %double bond 2-3 -% \else\if\member c% -% \put(-6,42){\line(-5,3){126}}% %double bond 3-4 -% \else\if\member d% -% \put(-140,129){\line(0,1){148}}% %double bond 4-4a -% \else\if\member e% -% \put(-177,345){\line(-5,3){126}}% %double bond 4a-5 -% \else\if\member f% -% \put(-311,432){\line(0,1){148}}% %double bond 5-6 -% \else\if\member g% -% \put(-177,667){\line(-5,-3){126}}% %double bond 7-6 -% \else\if\member h% -% \put(-165,667){\line(5,-3){126}}% %double bond 7-8 -% \else\if\member i% -% \put(-31,432){\line(0,1){148}}% %double bond 8a-8 -% \else\if\member j% -% \put(6,364){\line(5,-3){126}}% %double bond 8a-1 -% \else\if\member k% -% \put(-6,364){\line(-5,-3){126}}% %double bond 8a-4a -% \else\if\member K% -% \put(-165,345){\line(5,3){126}}% %double bond 8a-4a on the other ring -% \else\if\member A%left aromatic circle -% \put(-171,506){\circle{240}}% %circle -% \else\if\member B%right aromatic circle -% \put(0,203){\circle{240}}% %circle -% \else -% % *********************** -% % * setting fused rings * -% % *********************** -% \expandafter\twoCH@R\member//% -% \set@fusion@decavb -% \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi}% -% % ************************ -% % * setting substituents * -% % ************************ -% \put(0,0){\setsixringv{#2}{1}{1}{6}{0}}% for 1 to 4 -% \put(-171,303){\setsixringv{#2}{0}{4}{7}{0}}% for 5 to 6 -% \put(-171,303){\setsixringv{#2}{-6}{0}{3}{0}}% for 7 to 8 -% \put(0,0){\setfusedbond{#2}{2}{1}{3}{-1}}% for 4a and 8a -% \end{picture}}% %end of \decalinevb macro -% % \end{macrocode} -% % \end{macro} -% \end{verbatim} -% -% \subsection{Vertical-top type} -% -% The macro |\decalinevt| is used for drawing decaline derivatives -% of vertical-bottom type (numbering from the top to the left-down part). -% The word ``vertical'' means that each benzene ring is a vertical type. -% The word ``top'' means that the benzene ring with young locant numbers -% is located at the top. -% The skeleton and endocyclic double bonds are drawn directly, -% while substituents and exocyclic bonds are placed by useing -% the inner macro |\setsixringv|. -% \changes{v1.02}{1998/10/13}{Newly added command} -% -% \begin{verbatim} -% ************************ -% * decaline derivatives * -% * (vertical-top type) * -% ************************ -% The following numbering is adopted in this macro. -% -% 2 -% * -% 1 * * 3 -% | | -% | | -% 0G (8a) * * 4 -% 8 * * 0F(4a) -% | | -% | | -% 7 * * 5 -% * -% 6 -% ^ -% | -% the original point -% \end{verbatim} -% -% The macro |\decalinevt| has an argument |SUBSLIST| as well as an optional -% argument |BONDLIST|. -% -% \begin{verbatim} -% \decalinevt[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one or more -% characters selected form a to k, each of which indicates -% the presence of an inner (endcyclic) double bond on the corresponding -% position. The character A or B indicates aromatic bond patterns (circles). -% \changes{v1.02}{1998/10/14}{BONDLIST: k and K at the fused bond} -% -% \begin{verbatim} -% BONDLIST = -% -% none : decaline -% a : 1,2-double bond -% b : 2,3-double bond -% c : 3,4-double bond -% d : 4,4a-double bond -% e : 5,4a-double bond -% f : 5,6-double bond -% g : 6,7-double bond -% h : 8,7-double bond -% i : 8,8a-double bond -% j : 1,8a-double bond -% k : 4a,8a-double bond -% K : 4a,8a-double bond in the other ring -% A : left aromatic circle -% B : right aromatic circle -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 8 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% for 0 (fused positions) -% -% 0FA : alpha single bond at 8a -% 0FB : beta single bond at 8a -% 0FU : unspecified single bond at 8a -% 0GA : alpha single bond at 4a -% 0GB : beta single bond at 4a -% 0GU : unspecified single bond at 4a -% \end{verbatim} -% -% \begin{verbatim} -% -% e.g. -% -% \decalinevt{1==Cl;2==F;0FA==;0GA==} -% \decalinevt[c]{1==Cl;4==F;2==CH$_{3}$} -% \decalinevt[eb]{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl;7==Cl;8==Cl} -% -% \end{verbatim} -% -% The macro |\decalinevt| has been changed into a subsidiary macro -% of |\decaheterovt| (version 2.00). -% -% \begin{macro}{\decalinevt} -% \begin{macrocode} -\def\decalinevt{\@ifnextchar[{\@decalinevt[@}{\@decalinevt[@]}} -\def\@decalinevt[#1]#2{% -\iforigpt \typeout{command `decalinevt' is based on `decaheterovt'.}\fi% -\decaheterovt[#1]{}{#2}} -% \end{macrocode} -% \end{macro} -% -% The following old definition has been stopped using. -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw}, -% \cs{ylfusedposition}, -% \cs{yl@shiftii}, \cs{@ylii}, \cs{@@ylii}, \cs{yl@shifti}, \cs{@yli}, -% \cs{@yli}, \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/5}{Add: fused rings} -% -% \begin{verbatim} -% (Old definition) -% % \begin{macro}{\decalinevt} -% % \begin{macrocode} -% \def\decalinevt{\@ifnextchar[{\@decalinevt[@}{\@decalinevt[r]}} -% \def\@decalinevt[#1]#2{% -% \iniflag\iniatom -% \@reset@ylsw\reset@@yl -% \ylposition{#2}{5}{5}{7}{0}% for 1 -% \if@ylsw \ifx\@@ylii\empty -% \def\@@ylii{-171}\def\@@yli{-303}\fi -% \else\ylposition{#2}{-1}{0}{4}{0}% for 2 to 4 -% \fi -% \if@ylsw\ifx\@@ylii\empty -% \def\@@ylii{-171}\def\@@yli{-303}\fi\else -% \ylposition{#2}{-2}{2}{7}{0}% for 5 to 8 -% \fi -% \if@ylsw\ifx\@@ylii\empty -% \def\@@ylii{0}\def\@@yli{0}\fi\else -% \ylfusedposition{#2}{1}{0}{2}{-1}% for 4a and 8a -% \fi -% \if@ylsw\ifx\@@ylii\empty -% \def\@@ylii{0}\def\@@yli{0}\fi\fi -% \if@ylsw -% \yl@shiftii=\@ylii -% \ifx\@@ylii\empty\else -% \advance\yl@shiftii\@@ylii\fi -% \yl@shifti=\@yli -% \ifx\@@yli\empty\else -% \advance\yl@shifti\@@yli\fi -% \advance\yl@shiftii\yl@xdiff -% \advance\yl@shifti\yl@ydiff -% \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) -% \reset@yl@xydiff%1999/1/6 by S. Fujita -% \else -% \begin{picture}(1000,1200)(-400,-240) -% \iforigpt \put(-400,-240){\circle*{50}}% -% \put(0,0){\circle{50}}% -% \typeout{command `decalinevb' origin: % -% (0,0) ---> (400,240)}\fi% -% \fi -% \put(0,0){\line(5,3){171}}% %bond 6-5 -% \put(0,0){\line(-5,3){171}}% %bond 6-7 -% \put(171,103){\line(0,1){200}}% %bond 5-4a -% \put(-171,103){\line(0,1){200}}% %bond 7-8 -% \put(0,406){\line(-5,-3){171}}% %bond 8a-8 -% \put(0,406){\line(5,-3){171}}% %bond 8a-4a -% \put(0,406){\line(0,1){200}}% %bond 8a-1 -% \put(342,406){\line(0,1){200}}% %bond 4-3 -% \put(171,303){\line(5,3){171}}% %bond 4a-4 -% \put(171,709){\line(-5,-3){171}}% %bond 2-1 -% \put(171,709){\line(5,-3){171}}% %bond 2-3 -% \@tfor\member:=#1\do{% -% \if\member r%no endcyclic double bonds -% \else\if\member a% -% \put(165,667){\line(-5,-3){126}}% %double bond 2-1 -% \else\if\member b% -% \put(177,667){\line(5,-3){126}}% %double bond 2-3 -% \else\if\member c% -% \put(311,432){\line(0,1){148}}% %double bond 4-3 -% \else\if\member d% -% \put(177,345){\line(5,3){126}}% %double bond 4a-4 -% \else\if\member e% -% \put(140,129){\line(0,1){148}}% %double bond 5-4a -% \else\if\member f% -% \put(6,42){\line(5,3){126}}% %double bond 6-5 -% \else\if\member g% -% \put(-6,42){\line(-5,3){126}}% %double bond 6-7 -% \else\if\member h% -% \put(-140,129){\line(0,1){148}}% %double bond 7-8 -% \else\if\member i% -% \put(-6,364){\line(-5,-3){126}}% %double bond 8a-8 -% \else\if\member j% -% \put(31,432){\line(0,1){148}}% %double bond 8a-1 -% \else\if\member k% -% \put(6,364){\line(5,-3){126}}% %double bond 8a-4a -% \else\if\member K% -% \put(165,345){\line(-5,3){126}}% %double bond 8a-4a on the other ring -% \else\if\member A%left aromatic circle -% \put(171,506){\circle{240}}% %circle -% \else\if\member B%right aromatic circle -% \put(0,203){\circle{240}}% %circle -% \else -% % *********************** -% % * setting fused rings * -% % *********************** -% \expandafter\twoCH@R\member//% -% \set@fusion@decavt -% \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi}% -% % %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % % setting substituents and exocyclic bonds % -% % %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \put(171,303){\setsixringv{#2}{5}{5}{7}{0}}% for 1 -% \put(171,303){\setsixringv{#2}{-1}{0}{4}{0}}% for 2 to 4 -% \put(0,0){\setsixringv{#2}{-2}{2}{7}{0}}% for 5 to 8 -% \put(0,0){\setfusedbond{#2}{1}{0}{2}{-1}}% for 4a and 8a -% \end{picture}}% %end of \decalinevt macro -% % \end{macrocode} -% % \end{macro} -% \end{verbatim} -% -% \subsection{Horizontal type} -% -% The macro |\decalineh| is used for drawing decaline derivatives -% of vertical type. The skeleton and endocyclic double bonds are -% drawn directly, while substituents and exocyclic bonds are placed by -% useing the inner macros |\setsixringh| and |\setfusedbond|. -% -% \begin{verbatim} -% ************************ -% * decaline derivatives * -% * (horizontal type) * -% ************************ -% The following numbering is adopted in this macro. -% -% 2 3 -% ----- -% * * -% 1 * * 4 -% * * -% 8a (0G) ----- 4a (0F) -% * * -% the original point ===> 8 * * 5 -% (0,0) * * -% ----- -% 7 6 -% \end{verbatim} -% -% The macro |\decalineh| has an argument |SUBSLIST| as well as an optional -% argument |BONDLIST|. -% -% \begin{verbatim} -% \decalineh[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one or more -% characters selected form a to k, each of which indicates -% the presence of an inner (endcyclic) double bond on the corresponding -% position. The character A or B indicates aromatic bond patterns (circles). -% \changes{v1.02}{1998/10/14}{BONDLIST: k and K at the fused bond} -% -% \begin{verbatim} -% -% BONDLIST = -% -% none : decaline -% a : 1,2-double bond -% b : 2,3-double bond -% c : 3,4-double bond -% d : 4,4a-double bond -% e : 5,4a-double bond -% f : 5,6-double bond -% g : 6,7-double bond -% h : 8,7-double bond -% i : 8,8a-double bond -% j : 1,8a-double bond -% k : 4a,8a-double bond -% K : 4a,8a-double bond in the other ring -% A : left aromatic circle -% B : right aromatic circle -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 8 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% for 0 (fused positions) -% -% 0FA : alpha single bond at 8a -% 0FB : beta single bond at 8a -% 0FU : unspecified single bond at 8a -% 0GA : alpha single bond at 4a -% 0GB : beta single bond at 4a -% 0GU : unspecified single bond at 4a -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \decalineh{1==Cl;2==F;0FA==;0GA==} -% \decalineh[c]{1==Cl;4==F;2==CH$_{3}$} -% \decalineh[eb]{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl;7==Cl;8==Cl} -% \end{verbatim} -% -% The macro |\decalineh| has been changed into a subsidiary macro -% of |\decaheteroh| (version 2.00). -% -% \begin{macro}{\decalineh} -% \begin{macrocode} -\def\decalineh{\@ifnextchar[{\@decalineh[@}{\@decalineh[@]}} -\def\@decalineh[#1]#2{% -\iforigpt \typeout{command `decalineh' is based on `decaheteroh'.}\fi% -\decaheteroh[#1]{}{#2}} -% \end{macrocode} -% \end{macro} -% -% The following old definition has been stopped using. -% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}, \cs{if@ylsw} -% \cs{ylfusedposition}, -% \cs{yl@shiftii}, \cs{@ylii}, \cs{@@ylii}, \cs{yl@shifti}, \cs{@yli}, -% \cs{@yli}, \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/11/30}{Add: fused rings} -% -% \begin{verbatim} -% (Old defintion) -% % \begin{macro}{\decalineh} -% % \begin{macrocode} -% \def\decalineh{\@ifnextchar[{\@decalineh[@}{\@decalineh[r]}} -% \def\@decalineh[#1]#2{% -% \iniflag\iniatom -% \@reset@ylsw\reset@@yl -% \ylpositionh{#2}{-7}{0}{2}{0}% for 8 -% \if@ylsw \ifx\@@ylii\empty -% \def\@@ylii{0}\def\@@yli{0}\fi -% \else\ylpositionh{#2}{-1}{3}{7}{0}% for 5 to 7 -% \fi -% \if@ylsw\ifx\@@ylii\empty -% \def\@@ylii{0}\def\@@yli{0}\fi\else -% \ylpositionh{#2}{0}{0}{5}{0}% for 1 to 4 -% \fi -% \if@ylsw\ifx\@@ylii\empty -% \def\@@ylii{0}\def\@@yli{-342}\fi\else -% \ylfusedposition{#2}{3}{2}{4}{0}% for 4a and 8a -% \fi -% \if@ylsw\ifx\@@ylii\empty -% \def\@@ylii{0}\def\@@yli{0}\fi\fi -% \if@ylsw -% \yl@shiftii=\@ylii -% \ifx\@@ylii\empty\else -% \advance\yl@shiftii\@@ylii\fi -% \yl@shifti=\@yli -% \ifx\@@yli\empty\else -% \advance\yl@shifti\@@yli\fi -% \advance\yl@shiftii\yl@xdiff -% \advance\yl@shifti\yl@ydiff -% \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) -% \reset@yl@xydiff%1999/1/6 by S. Fujita -% \else -% \begin{picture}(880,1200)(-\shifti,-\shiftii) -% \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}% -% \put(\noshift,\noshift){\circle{50}}% -% \typeout{command `decalineh' origin: % -% (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi% -% \fi -% \put(0,0){\line(3,5){103}}% %bond 8-8a -% \put(0,0){\line(3,-5){103}}% %bond 8-7 -% \put(406,0){\line(-3,5){103}}% %bond 4a-5 -% \put(406,0){\line(-3,-5){103}}% %bond 5-6 -% \put(103,171){\line(1,0){200}}% %bond 4a-8a -% \put(103,-171){\line(1,0){200}}% %bond 7-8 -% \put(0,342){\line(3,5){103}}% %bond 1-2 -% \put(0,342){\line(3,-5){103}}% %bond 1-6 -% \put(406,342){\line(-3,5){103}}% %bond 4-3 -% \put(406,342){\line(-3,-5){103}}% %bond 4-4a -% \put(103,513){\line(1,0){200}}% %bond 2-3 -% \@tfor\member:=#1\do{% -% \if\member r%no endcyclic double bonds -% \else\if\member a% -% \put(42,348){\line(3,5){78}}% %double bond 1-2 -% \else\if\member b% -% \put(129,480){\line(1,0){148}}% %double bond 2-3 -% \else\if\member c% -% \put(364,348){\line(-3,5){78}}% %double bond 4-3 -% \else\if\member d% -% \put(364,348){\line(-3,-5){78}}% %double bond 4-4a -% \else\if\member e% -% \put(364,6){\line(-3,5){78}}% %double bond 4a-5 -% \else\if\member f% -% \put(364,-6){\line(-3,-5){78}}% %double bond 5-6 -% \else\if\member g% -% \put(129,-138){\line(1,0){148}}% %double bond 6-7 -% \else\if\member h% -% \put(42,-6){\line(3,-5){78}}% %double bond 7-8 -% \else\if\member i% -% \put(42,6){\line(3,5){78}}% %double bond 8-9a -% \else\if\member j% -% \put(42,348){\line(3,-5){78}}% %double bond 1-8a -% \else\if\member k% -% \put(129,138){\line(1,0){148}}% %double bond 8a-4a -% \else\if\member K% -% \put(129,204){\line(1,0){148}}% %double bond 8a-4a -% \else\if\member A%left aromatic circle -% \put(203,0){\circle{240}}% %circle -% \else\if\member B%right aromatic circle -% \put(203,342){\circle{240}}% %circle -% % *********************** -% % * setting fused rings * -% % *********************** -% \else -% \expandafter\twoCH@R\member//% -% \put(0,342){\set@fusion@decah}% -% \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi}% -% %% -% \put(0,0){\setsixringh{#2}{-7}{0}{2}{0}}% for 8 -% \put(0,0){\setsixringh{#2}{-1}{3}{7}{0}}% for 5 to 7 -% \put(0,342){\setsixringh{#2}{0}{0}{5}{0}}% for 1 to 4 -% \put(0,0){\setfusedbond{#2}{3}{2}{4}{0}}% for 4a and 8a -% \end{picture}}% %end of \decalineh macro -% % \end{macrocode} -% % \end{macro} -% \end{verbatim} -% -% \section{Naphthalene and naphtoquinone derivatives} -% \subsection{Vertical type} -% -% The macro |\naphdrv| is used for drawing naphthalene derivatives -% of vertical type as well as naphthoquinone derivatives of -% vertical type. The skeleton and endocyclic double bonds are -% drawn directly, while substituents and exocyclic bonds are placed by -% useing the inner macro |\decalinev|. -% -% The macro |\naphdrv| has an argument |SUBSLIST| as well as an optional -% argument |OPT|. The latter designates a bond pattern in place of -% individual exocyclic bonds. -% -% \begin{verbatim} -% ********************************************** -% * naphthalene and naphthoquinone derivatives * -% * (vertical type) * -% ********************************************** -% -% \naphdrv[OPT]{SUBSLIST} -% \end{verbatim} -% -% The |OPT| argument contains one or two characters. -% -% The character `A' is used for designating an aromatic bond pattern, in -% which each of the six-membered rings has a central circle. -% -% \begin{verbatim} -% OPT (bond pattern) -% -% none : naphthalene -% A : aromatic circle -% \end{verbatim} -% -% One character `p' or two characters (p?) in the |OPT| argument -% designate a p-quinone nucleus, which is present in the -% right-hand ring for the case of `p' or `pa' and in the -% left-hand ring for the case of `pb'. -% -% \begin{verbatim} -% p or pa : 1,4-quinone (A) left aromatic, right quinone -% pb : 1,4-quinone (B) right aromatic, left quinone -% \end{verbatim} -% -% One character `o' or two characters (o?) in the |OPT| argument -% designate an o-quinone nucleus in either side of the fused ring. -% The second character of each argument indicates one of the possible -% type of bond patterns. -% -% \begin{verbatim} -% o or oa : o-quinone (A) -% ob : o-quinone (B) -% oc : o-quinone (C) -% od : o-quinone (D) -% oe : o-quinone (E) -% of : o-quinone (F) -% \end{verbatim} -% -% One character `q' or two characters (q?) in the |OPT| argument -% designate an 2,6-, 1,5- or 1,7-quinone nucleus. -% The second character of each argument indicates one of the possible -% type of bond patterns. -% -% \begin{verbatim} -% -% q or qa : 2,6-quinone (A) -% qb : 2,6-quinone (B) 3,7 -% qc : 1,5-quinone (C) -% qd : 1,5-quinone (D) 4,8 -% qe : 1,7-quinone (E) -% qf : 1,7-quinone (F) 2,8 -% qg : 1,7-quinone (G) 4,6 -% qh : 1,7-quinone (H) 3,5 -% \end{verbatim} -% -% One character `P' or two characters (P?) in the |OPT| argument -% designate a 1,4,5,8- or 1,2,5,8-quinone nucleus. -% -% \begin{verbatim} -% -% P or Pa : 1,4,5,8-quinone (A) -% Pb : 1,2,5,8-quinone (B) -% \end{verbatim} -% -% One character `Q' or `O' or two characters (O?) in the |OPT| argument -% designate quinone nuclei of remaining types. -% -% \begin{verbatim} -% Q : 1,2,3,4-quinone -% -% O or Oa : 1,2,5,6-quinone (A) -% Ob : 1,2,7,8-quinone (B) -% Oc : 1,2,3,5-quinone (C) -% Od : 1,2,3,7-quinone (D) -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 8 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% \naphdrv{1==Cl;2==F} -% \naphdrv[A]{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% \begin{macro}{\naphdrv} -% \begin{macrocode} -\def\naphdrv{\@ifnextchar[{\@naphdrv}{\@naphdrv[r]}} -\def\@naphdrv[#1]#2{% -\iforigpt \typeout{command `naphdrv' is based on `decalinev'.}\fi% - \expandafter\threech@r#1{}{}% -\if\@tmpa r% right-handed set of double bonds - \decalinev[acfhk]{#2}% -\else\if\@tmpa A%aromatic circle - \decalinev[AB]{#2}% -% -\else\if\@tmpa p%p-quinone - \if\@tmpb a% (A) - \decalinev[bfhk]{#2}% - \else\ifx\@tmpb\empty% (A) - \decalinev[bfhk]{#2}% - \else\if\@tmpb b% (B) - \decalinev[acgk]{#2}% - \fi\fi\fi% -\else% - \if\@tmpa o%o-quinone - \if\@tmpb a% (A) - \decalinev[cfhk]{#2}% - \else\ifx\@tmpb\empty% (A) - \decalinev[cfhk]{#2}% - \else\if\@tmpb b%o-quinone (B) - \decalinev[dfhj]{#2}% - \else\if\@tmpb c%o-quinone (C) - \decalinev[afhk]{#2}% - \else\if\@tmpb d%o-quinone (D) - \decalinev[achk]{#2}% - \else\if\@tmpb e%o-quinone (E) - \decalinev[acei]{#2}% - \else\if\@tmpb f%o-quinone (F) - \decalinev[acfk]{#2}% - \fi\fi\fi\fi\fi\fi% - \fi% -%%% -\else\if\@tmpa q%various quinone - \if\@tmpb a% (A)2,6-type - \decalinev[cehj]{#2}% - \else\ifx\@tmpb\empty% (A)2,6-type - \decalinev[cehj]{#2}% - \else\if\@tmpb b%2,6-quinone (B) - \decalinev[adfi]{#2}% - \else\if\@tmpb c%1,5-quinone (C) - \decalinev[bdgi]{#2}% - \else\if\@tmpb d%1,5-quinone (D) - \decalinev[begj]{#2}% - \else\if\@tmpb e%1,7-quinone (E) - \decalinev[bdfi]{#2}% - \else\if\@tmpb f%1,7-quinone (F) - \decalinev[cegj]{#2}% - \else\if\@tmpb g%1,7-quinone (G) - \decalinev[behj]{#2}% - \else\if\@tmpb h%1,7-quinone (H) - \decalinev[adgi]{#2}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi% -\else\if\@tmpa P%quinone having 4 carbonyl groups - \if\@tmpb a% (A)1,4,5,8-type - \decalinev[bgk]{#2}% - \else\ifx\@tmpb\empty% (A)1,4,5,8-type - \decalinev[bgk]{#2}% - \else\if\@tmpb b% (B)1,2,5,8-type - \decalinev[cgk]{#2}% - \fi\fi\fi% -\else\if\@tmpa Q%1,2,3,4 - \decalinev[fhk]{#2}% -\else\if\@tmpa O%quinone having 4 carbonyl groups - \if\@tmpb a% (A)1,2,5,6-type - \decalinev[chk]{#2}% - \else\ifx\@tmpb\empty% (A)1,2,5,6-type - \decalinev[chk]{#2}% - \else\if\@tmpb b% (B)1,2,7,8-type - \decalinev[cfk]{#2}% - \else\if\@tmpb c% (C)1,2,3,5-type - \decalinev[dgi]{#2}% - \else\if\@tmpb d% (D)1,2,3,7-type - \decalinev[dfi]{#2}% - \fi\fi\fi\fi\fi% -\else% added 1998/11/23 by S. Fujita - \decalinev[@#1]{#2}% -\fi\fi\fi\fi\fi\fi\fi\fi% -}% %end of \naphdrv macro -% \end{macrocode} -% \end{macro} -% -% \subsection{Vertical-bottom type} -% -% The macro |\naphdrvb| is used for drawing naphthalene derivatives -% of vertical-bottom type as well as naphthoquinone derivatives of -% vertical-bottom type. The skeleton and endocyclic double bonds are -% drawn directly, while substituents and exocyclic bonds are placed by -% useing the inner macro |\decalinevb|. -% \changes{v1.02}{1998/10/14}{Newly added command} -% -% The macro |\naphdrvb| has an argument |SUBSLIST| as well as an optional -% argument |OPT|. The latter designates a bond pattern in place of -% individual exocyclic bonds. -% -% \begin{verbatim} -% ********************************************** -% * naphthalene and naphthoquinone derivatives * -% * (vertical-bottom type) * -% ********************************************** -% -% \naphdrvb[OPT]{SUBSLIST} -% \end{verbatim} -% -% The |OPT| argument contains one or two characters. -% -% The character `A' is used for designating an aromatic bond pattern, in -% which each of the six-membered rings has a central circle. -% -% \begin{verbatim} -% OPT (bond pattern) -% -% none : naphthalene -% A : aromatic circle -% \end{verbatim} -% -% One character `p' or two characters (p?) in the |OPT| argument -% designate a p-quinone nucleus, which is present in the -% right-hand ring for the case of `p' or `pa' and in the -% left-hand ring for the case of `pb'. -% -% \begin{verbatim} -% p or pa : 1,4-quinone (A) left aromatic, right quinone -% pb : 1,4-quinone (B) right aromatic, left quinone -% \end{verbatim} -% -% One character `o' or two characters (o?) in the |OPT| argument -% designate an o-quinone nucleus in either side of the fused ring. -% The second character of each argument indicates one of the possible -% type of bond patterns. -% -% \begin{verbatim} -% o or oa : o-quinone (A) -% ob : o-quinone (B) -% oc : o-quinone (C) -% od : o-quinone (D) -% oe : o-quinone (E) -% of : o-quinone (F) -% \end{verbatim} -% -% One character `q' or two characters (q?) in the |OPT| argument -% designate an 2,6-, 1,5- or 1,7-quinone nucleus. -% The second character of each argument indicates one of the possible -% type of bond patterns. -% -% \begin{verbatim} -% -% q or qa : 2,6-quinone (A) -% qb : 2,6-quinone (B) 3,7 -% qc : 1,5-quinone (C) -% qd : 1,5-quinone (D) 4,8 -% qe : 1,7-quinone (E) -% qf : 1,7-quinone (F) 2,8 -% qg : 1,7-quinone (G) 4,6 -% qh : 1,7-quinone (H) 3,5 -% \end{verbatim} -% -% One character `P' or two characters (P?) in the |OPT| argument -% designate a 1,4,5,8- or 1,2,5,8-quinone nucleus. -% -% \begin{verbatim} -% -% P or Pa : 1,4,5,8-quinone (A) -% Pb : 1,2,5,8-quinone (B) -% \end{verbatim} -% -% One character `Q' or `O' or two characters (O?) in the |OPT| argument -% designate quinone nuclei of remaining types. -% -% \begin{verbatim} -% Q : 1,2,3,4-quinone -% -% O or Oa : 1,2,5,6-quinone (A) -% Ob : 1,2,7,8-quinone (B) -% Oc : 1,2,3,5-quinone (C) -% Od : 1,2,3,7-quinone (D) -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 8 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% \naphdrvb{1==Cl;2==F} -% \naphdrvb[A]{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% \begin{macro}{\naphdrvb} -% \begin{macrocode} -\def\naphdrvb{\@ifnextchar[{\@naphdrvb}{\@naphdrvb[r]}} -\def\@naphdrvb[#1]#2{% -\iforigpt \typeout{command `naphdrvb' is based on `decalinevb'.}\fi% - \expandafter\threech@r#1{}{}% -\if\@tmpa r% right-handed set of double bonds - \decalinevb[acfhk]{#2}% -\else\if\@tmpa A%aromatic circle - \decalinevb[AB]{#2}% -% -\else\if\@tmpa p%p-quinone - \if\@tmpb a% (A) - \decalinevb[bfhk]{#2}% - \else\ifx\@tmpb\empty% (A) - \decalinevb[bfhk]{#2}% - \else\if\@tmpb b% (B) - \decalinevb[acgk]{#2}% - \fi\fi\fi% -\else% - \if\@tmpa o%o-quinone - \if\@tmpb a% (A) - \decalinevb[cfhk]{#2}% - \else\ifx\@tmpb\empty% (A) - \decalinevb[cfhk]{#2}% - \else\if\@tmpb b%o-quinone (B) - \decalinevb[dfhj]{#2}% - \else\if\@tmpb c%o-quinone (C) - \decalinevb[afhk]{#2}% - \else\if\@tmpb d%o-quinone (D) - \decalinevb[achk]{#2}% - \else\if\@tmpb e%o-quinone (E) - \decalinevb[acei]{#2}% - \else\if\@tmpb f%o-quinone (F) - \decalinevb[acfk]{#2}% - \fi\fi\fi\fi\fi\fi% - \fi% -%%% -\else\if\@tmpa q%various quinone - \if\@tmpb a% (A)2,6-type - \decalinevb[cehj]{#2}% - \else\ifx\@tmpb\empty% (A)2,6-type - \decalinevb[cehj]{#2}% - \else\if\@tmpb b%2,6-quinone (B) - \decalinevb[adfi]{#2}% - \else\if\@tmpb c%1,5-quinone (C) - \decalinevb[bdgi]{#2}% - \else\if\@tmpb d%1,5-quinone (D) - \decalinevb[begj]{#2}% - \else\if\@tmpb e%1,7-quinone (E) - \decalinevb[bdfi]{#2}% - \else\if\@tmpb f%1,7-quinone (F) - \decalinevb[cegj]{#2}% - \else\if\@tmpb g%1,7-quinone (G) - \decalinevb[behj]{#2}% - \else\if\@tmpb h%1,7-quinone (H) - \decalinevb[adgi]{#2}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi% -\else\if\@tmpa P%quinone having 4 carbonyl groups - \if\@tmpb a% (A)1,4,5,8-type - \decalinevb[bgk]{#2}% - \else\ifx\@tmpb\empty% (A)1,4,5,8-type - \decalinevb[bgk]{#2}% - \else\if\@tmpb b% (B)1,2,5,8-type - \decalinevb[cgk]{#2}% - \fi\fi\fi% -\else\if\@tmpa Q%1,2,3,4 - \decalinevb[fhk]{#2}% -\else\if\@tmpa O%quinone having 4 carbonyl groups - \if\@tmpb a% (A)1,2,5,6-type - \decalinevb[chk]{#2}% - \else\ifx\@tmpb\empty% (A)1,2,5,6-type - \decalinevb[chk]{#2}% - \else\if\@tmpb b% (B)1,2,7,8-type - \decalinevb[cfk]{#2}% - \else\if\@tmpb c% (C)1,2,3,5-type - \decalinevb[dgi]{#2}% - \else\if\@tmpb d% (D)1,2,3,7-type - \decalinevb[dfi]{#2}% - \fi\fi\fi\fi\fi% -\else% added 1998/11/23 by S. Fujita - \decalinevb[@#1]{#2}% -\fi\fi\fi\fi\fi\fi\fi\fi% -}% %end of \naphdrvb macro -% \end{macrocode} -% \end{macro} -% -% \subsection{Vertical-top type} -% -% The macro |\naphdrvt| is used for drawing naphthalene derivatives -% of vertical-top type as well as naphthoquinone derivatives of -% vertical-top type. The skeleton and endocyclic double bonds are -% drawn directly, while substituents and exocyclic bonds are placed by -% useing the inner macro |\decalinevt|. -% \changes{v1.02}{1998/10/14}{Newly added command} -% -% The macro |\naphdrvt| has an argument |SUBSLIST| as well as an optional -% argument |OPT|. The latter designates a bond pattern in place of -% individual exocyclic bonds. -% -% \begin{verbatim} -% ********************************************** -% * naphthalene and naphthoquinone derivatives * -% * (vertical-top type) * -% ********************************************** -% -% \naphdrvt[OPT]{SUBSLIST} -% \end{verbatim} -% -% The |OPT| argument contains one or two characters. -% -% The character `A' is used for designating an aromatic bond pattern, in -% which each of the six-membered rings has a central circle. -% -% \begin{verbatim} -% OPT (bond pattern) -% -% none : naphthalene -% A : aromatic circle -% \end{verbatim} -% -% One character `p' or two characters (p?) in the |OPT| argument -% designate a p-quinone nucleus, which is present in the -% right-hand ring for the case of `p' or `pa' and in the -% left-hand ring for the case of `pb'. -% -% \begin{verbatim} -% p or pa : 1,4-quinone (A) left aromatic, right quinone -% pb : 1,4-quinone (B) right aromatic, left quinone -% \end{verbatim} -% -% One character `o' or two characters (o?) in the |OPT| argument -% designate an o-quinone nucleus in either side of the fused ring. -% The second character of each argument indicates one of the possible -% type of bond patterns. -% -% \begin{verbatim} -% o or oa : o-quinone (A) -% ob : o-quinone (B) -% oc : o-quinone (C) -% od : o-quinone (D) -% oe : o-quinone (E) -% of : o-quinone (F) -% \end{verbatim} -% -% One character `q' or two characters (q?) in the |OPT| argument -% designate an 2,6-, 1,5- or 1,7-quinone nucleus. -% The second character of each argument indicates one of the possible -% type of bond patterns. -% -% \begin{verbatim} -% -% q or qa : 2,6-quinone (A) -% qb : 2,6-quinone (B) 3,7 -% qc : 1,5-quinone (C) -% qd : 1,5-quinone (D) 4,8 -% qe : 1,7-quinone (E) -% qf : 1,7-quinone (F) 2,8 -% qg : 1,7-quinone (G) 4,6 -% qh : 1,7-quinone (H) 3,5 -% \end{verbatim} -% -% One character `P' or two characters (P?) in the |OPT| argument -% designate a 1,4,5,8- or 1,2,5,8-quinone nucleus. -% -% \begin{verbatim} -% -% P or Pa : 1,4,5,8-quinone (A) -% Pb : 1,2,5,8-quinone (B) -% \end{verbatim} -% -% One character `Q' or `O' or two characters (O?) in the |OPT| argument -% designate quinone nuclei of remaining types. -% -% \begin{verbatim} -% Q : 1,2,3,4-quinone -% -% O or Oa : 1,2,5,6-quinone (A) -% Ob : 1,2,7,8-quinone (B) -% Oc : 1,2,3,5-quinone (C) -% Od : 1,2,3,7-quinone (D) -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 8 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% \naphdrvt{1==Cl;2==F} -% \naphdrvt[A]{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% \begin{macro}{\naphdrvt} -% \begin{macrocode} -\def\naphdrvt{\@ifnextchar[{\@naphdrvt}{\@naphdrvt[r]}} -\def\@naphdrvt[#1]#2{% -\iforigpt \typeout{command `naphdrvt' is based on `decalinevt'.}\fi% - \expandafter\threech@r#1{}{}% -\if\@tmpa r% right-handed set of double bonds - \decalinevt[acfhk]{#2}% -\else\if\@tmpa A%aromatic circle - \decalinevt[AB]{#2}% -% -\else\if\@tmpa p%p-quinone - \if\@tmpb a% (A) - \decalinevt[bfhk]{#2}% - \else\ifx\@tmpb\empty% (A) - \decalinevt[bfhk]{#2}% - \else\if\@tmpb b% (B) - \decalinevt[acgk]{#2}% - \fi\fi\fi% -\else% - \if\@tmpa o%o-quinone - \if\@tmpb a% (A) - \decalinevt[cfhk]{#2}% - \else\ifx\@tmpb\empty% (A) - \decalinevt[cfhk]{#2}% - \else\if\@tmpb b%o-quinone (B) - \decalinevt[dfhj]{#2}% - \else\if\@tmpb c%o-quinone (C) - \decalinevt[afhk]{#2}% - \else\if\@tmpb d%o-quinone (D) - \decalinevt[achk]{#2}% - \else\if\@tmpb e%o-quinone (E) - \decalinevt[acei]{#2}% - \else\if\@tmpb f%o-quinone (F) - \decalinevt[acfk]{#2}% - \fi\fi\fi\fi\fi\fi% - \fi% -%%% -\else\if\@tmpa q%various quinone - \if\@tmpb a% (A)2,6-type - \decalinevt[cehj]{#2}% - \else\ifx\@tmpb\empty% (A)2,6-type - \decalinevt[cehj]{#2}% - \else\if\@tmpb b%2,6-quinone (B) - \decalinevt[adfi]{#2}% - \else\if\@tmpb c%1,5-quinone (C) - \decalinevt[bdgi]{#2}% - \else\if\@tmpb d%1,5-quinone (D) - \decalinevt[begj]{#2}% - \else\if\@tmpb e%1,7-quinone (E) - \decalinevt[bdfi]{#2}% - \else\if\@tmpb f%1,7-quinone (F) - \decalinevt[cegj]{#2}% - \else\if\@tmpb g%1,7-quinone (G) - \decalinevt[behj]{#2}% - \else\if\@tmpb h%1,7-quinone (H) - \decalinevt[adgi]{#2}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi% -\else\if\@tmpa P%quinone having 4 carbonyl groups - \if\@tmpb a% (A)1,4,5,8-type - \decalinevt[bgk]{#2}% - \else\ifx\@tmpb\empty% (A)1,4,5,8-type - \decalinevt[bgk]{#2}% - \else\if\@tmpb b% (B)1,2,5,8-type - \decalinevt[cgk]{#2}% - \fi\fi\fi% -\else\if\@tmpa Q%1,2,3,4 - \decalinevt[fhk]{#2}% -\else\if\@tmpa O%quinone having 4 carbonyl groups - \if\@tmpb a% (A)1,2,5,6-type - \decalinevt[chk]{#2}% - \else\ifx\@tmpb\empty% (A)1,2,5,6-type - \decalinevt[chk]{#2}% - \else\if\@tmpb b% (B)1,2,7,8-type - \decalinevt[cfk]{#2}% - \else\if\@tmpb c% (C)1,2,3,5-type - \decalinevt[dgi]{#2}% - \else\if\@tmpb d% (D)1,2,3,7-type - \decalinevt[dfi]{#2}% - \fi\fi\fi\fi\fi% -\else% added 1998/11/23 by S. Fujita - \decalinevt[@#1]{#2}% -\fi\fi\fi\fi\fi\fi\fi\fi% -}% %end of \naphdrvt macro -% \end{macrocode} -% \end{macro} -% -% \subsection{Horizontal type} -% -% The macro |\naphdrh| is used for drawing naphthalene derivatives -% of horizontal type as well as naphtoquinone derivatives of -% horizontal type. The skeleton and endocyclic double bonds are -% drawn directly, while substituents and exocyclic bonds are placed by -% useing the inner macro |\decalineh|. -% -% The macro |\naphdrh| has an argument |SUBSLIST| as well as an optional -% argument |OPT|. The latter designates a bond pattern in place of -% individual exocyclic bonds. -% -% \begin{verbatim} -% ********************************************** -% * naphthalene and naphthoquinone derivatives * -% * (horizontal type) * -% ********************************************** -% -% \naphdrh[OPT]{SUBSLIST} -% -% \end{verbatim} -% -% The |OPT| argument contains one or two characters for designate -% aromatic bond patterns or for naphthoquinone bond patterns. -% The meaning of these characters is the same as described in -% the definition of the macro |\naphdrv|. -% -% \begin{verbatim} -% OPT (bond pattern) -% -% none : naphthalene -% A : aromatic circle -% -% p or pa : 1,4-quinone (A) left aromatic, right quinone -% pb : 1,4-quinone (B) right aromatic, left quinone -% -% o or oa : o-quinone (A) -% ob : o-quinone (B) -% oc : o-quinone (C) -% od : o-quinone (D) -% oe : o-quinone (E) -% of : o-quinone (F) -% -% q or qa : 2,6-quinone (A) -% qb : 2,6-quinone (B) 3,7 -% qc : 1,5-quinone (C) -% qd : 1,5-quinone (D) 4,8 -% qe : 1,7-quinone (E) -% qf : 1,7-quinone (F) 2,8 -% qg : 1,7-quinone (G) 4,6 -% qh : 1,7-quinone (H) 3,5 -% -% P or Pa : 1,4,5,8-quinone (A) -% Pb : 1,2,5,8-quinone (B) -% -% Q : 1,2,3,4-quinone -% -% O or Oa : 1,2,5,6-quinone (A) -% Ob : 1,2,7,8-quinone (B) -% Oc : 1,2,3,5-quinone (C) -% Od : 1,2,3,7-quinone (D) -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 8 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% \naphdrh{1==Cl;2==F} -% \naphdrh[A]{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% \begin{macro}{\naphdrh} -% \begin{macrocode} -\def\naphdrh{\@ifnextchar[{\@naphdrh}{\@naphdrh[r]}} -\def\@naphdrh[#1]#2{% -\iforigpt \typeout{command `nathdrh' is based on `decalineh'.}\fi% - \expandafter\threech@r#1{}{}% -\if\@tmpa r% right-handed set of double bonds - \decalineh[acfhk]{#2}% -\else\if\@tmpa A%aromatic circle - \decalineh[AB]{#2}% -% -\else\if\@tmpa p%p-quinone - \if\@tmpb a% (A) - \decalineh[bfhk]{#2}% - \else\ifx\@tmpb\empty% (A) - \decalineh[bfhk]{#2}% - \else\if\@tmpb b% (B) - \decalineh[acgk]{#2}% - \fi\fi\fi% -\else% - \if\@tmpa o%o-quinone - \if\@tmpb a% (A) - \decalineh[cfhk]{#2}% - \else\ifx\@tmpb\empty% (A) - \decalineh[cfhk]{#2}% - \else\if\@tmpb b%o-quinone (B) - \decalineh[dfhj]{#2}% - \else\if\@tmpb c%o-quinone (C) - \decalineh[afhk]{#2}% - \else\if\@tmpb d%o-quinone (D) - \decalineh[achk]{#2}% - \else\if\@tmpb e%o-quinone (E) - \decalineh[acei]{#2}% - \else\if\@tmpb f%o-quinone (F) - \decalineh[acfk]{#2}% - \fi\fi\fi\fi\fi\fi% - \fi% -% %% -\else\if\@tmpa q%various quinone - \if\@tmpb a% (A)2,6-type - \decalineh[cehj]{#2}% - \else\ifx\@tmpb\empty% (A)2,6-type - \decalineh[cehj]{#2}% - \else\if\@tmpb b%2,6-quinone (B) - \decalineh[adfi]{#2}% - \else\if\@tmpb c%1,5-quinone (C) - \decalineh[bdgi]{#2}% - \else\if\@tmpb d%1,5-quinone (D) - \decalineh[begj]{#2}% - \else\if\@tmpb e%1,7-quinone (E) - \decalineh[bdfi]{#2}% - \else\if\@tmpb f%1,7-quinone (F) - \decalineh[cegj]{#2}% - \else\if\@tmpb g%1,7-quinone (G) - \decalineh[behj]{#2}% - \else\if\@tmpb h%1,7-quinone (H) - \decalineh[adgi]{#2}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi% -\else\if\@tmpa P%quinone having 4 carbonyl groups - \if\@tmpb a% (A)1,4,5,8-type - \decalineh[bgk]{#2}% - \else\ifx\@tmpb\empty% (A)1,4,5,8-type - \decalineh[bgk]{#2}% - \else\if\@tmpb b% (B)1,2,5,8-type - \decalineh[cgk]{#2}% - \fi\fi\fi% -\else\if\@tmpa Q%1,2,3,4 - \decalineh[fhk]{#2}% -\else\if\@tmpa O%quinone having 4 carbonyl groups - \if\@tmpb a% (A)1,2,5,6-type - \decalineh[chk]{#2}% - \else\ifx\@tmpb\empty% (A)1,2,5,6-type - \decalineh[chk]{#2}% - \else\if\@tmpb b% (B)1,2,7,8-type - \decalineh[cfk]{#2}% - \else\if\@tmpb c% (C)1,2,3,5-type - \decalineh[dgi]{#2}% - \else\if\@tmpb d% (D)1,2,3,7-type - \decalineh[dfi]{#2}% - \fi\fi\fi\fi\fi% -\else% added 1998/11/23 by S. Fujita - \decalineh[@#1]{#2}% -\fi\fi\fi\fi\fi\fi\fi\fi% -}% %end of \naphdrh macro -% \end{macrocode} -% \end{macro} -% -% \section{Tetraline derivatives} -% \subsection{Vertical type} -% -% The macro |\tetralinev| is used for drawing naphthalene derivatives -% of vertical type as well as naphthoquinone derivatives of -% vertical type. The skeleton and endocyclic double bonds are -% drawn directly, while substituents and exocyclic bonds are placed by -% useing the inner macro |\decalinev|. -% -% The macro |\tetralinev| has an argument |SUBSLIST| as well as an optional -% argument |OPT|. The latter designates a bond pattern in place of -% individual exocyclic bonds. -% -% \begin{verbatim} -% ************************* -% * tetraline derivatives * -% * (vertical type) * -% ************************* -% -% \tetralinev[OPT]{SUBSLIST} -% \end{verbatim} -% -% The |OPT| argument contains one or two characters for designate -% aromatic bond patterns or for naphthoquinone bond patterns. -% -% \begin{verbatim} -% -% OPT = none : tetraline -% A : aromatic circle -% -% e or ea : 1,2-double bond -% eb : 2,3-double bond -% ec : 3,4-double bond -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 4 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% for n=5 or 8 -% -% nSa : bias bond -% This option can be used to avoid over-crowding -% betweem 1 and 8 or between 4 and 5. -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \tetralinev{1==Cl;2==F} -% \tetralinev[A]{1==Cl;4==F;2==CH$_{3}$} -% \tetralinev[eb]{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl;7==Cl;8==Cl} -% \end{verbatim} -% -% \begin{macro}{\tetralinev} -% \begin{macrocode} -\def\tetralinev{\@ifnextchar[{\@tetralinev}{\@tetralinev[r]}} -\def\@tetralinev[#1]#2{% - \iforigpt \typeout{command `tetralinev' is based on `decalinev'.}\fi% - \expandafter\threech@r#1{}{}% - \if\@tmpa r% right-handed set of double bonds - \decalinev[fhk]{#2}% - \else\if\@tmpa A%aromatic circle - \decalinev[A]{#2}% - \else\if\@tmpa e%inner double bond - \if\@tmpb a% (A)% - \decalinev[afhk]{#2}% - \else\ifx\@tmpb\empty% (A) - \decalinev[afhk]{#2}% - \else\if\@tmpb b% (B) - \decalinev[bfhk]{#2}% - \else\if\@tmpb c% (C) - \decalinev[cfhk]{#2}% - \fi\fi\fi\fi% - \else%1998/11/23 by Shinsaku Fujita - \decalinev[@#1]{#2}% - \fi\fi\fi% -}% %end of \tetralinev macro -% \end{macrocode} -% \end{macro} -% -% \subsection{Vertical-bottom type} -% -% The macro |\tetralinevb| is used for drawing naphthalene derivatives -% of vertical-bottom type as well as naphthoquinone derivatives of -% vertical type. The skeleton and endocyclic double bonds are -% drawn directly, while substituents and exocyclic bonds are placed by -% useing the inner macro |\decalinevb|. -% \changes{v1.02}{1998/10/14}{Newly added command} -% -% The macro |\tetralinevb| has an argument |SUBSLIST| as well as an optional -% argument |OPT|. The latter designates a bond pattern in place of -% individual exocyclic bonds. -% -% \begin{verbatim} -% ******************************** -% * tetraline derivatives * -% * (vertical-bottom type) * -% ******************************** -% -% \tetralinevb[OPT]{SUBSLIST} -% \end{verbatim} -% -% The |OPT| argument contains one or two characters for designate -% aromatic bond patterns or for naphthoquinone bond patterns. -% -% \begin{verbatim} -% -% OPT = none : tetraline -% A : aromatic circle -% -% e or ea : 1,2-double bond -% eb : 2,3-double bond -% ec : 3,4-double bond -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 4 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% for n=5 or 8 -% -% nSa : bias bond -% This option can be used to avoid over-crowding -% betweem 1 and 8 or between 4 and 5. -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \tetralinevb{1==Cl;2==F} -% \tetralinevb[A]{1==Cl;4==F;2==CH$_{3}$} -% \tetralinevb[eb]{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl;7==Cl;8==Cl} -% \end{verbatim} -% -% \begin{macro}{\tetralinevb} -% \begin{macrocode} -\def\tetralinevb{\@ifnextchar[{\@tetralinevb}{\@tetralinevb[r]}} -\def\@tetralinevb[#1]#2{% - \iforigpt \typeout{command `tetralinevb' is based on `decalinevb'.}\fi% - \expandafter\threech@r#1{}{}% - \if\@tmpa r% right-handed set of double bonds - \decalinevb[fhK]{#2}% %[fhK] in place of [fhk] - \else\if\@tmpa A%aromatic circle - \decalinevb[A]{#2}% - \else\if\@tmpa e%inner double bond - \if\@tmpb a% (A)% - \decalinevb[afhK]{#2}% - \else\ifx\@tmpb\empty% (A) - \decalinevb[afhK]{#2}% - \else\if\@tmpb b% (B) - \decalinevb[bfhK]{#2}% - \else\if\@tmpb c% (C) - \decalinevb[cfhK]{#2}% - \fi\fi\fi\fi% - \else%1998/11/23 by Shinsaku Fujita - \decalinevb[@#1]{#2}% - \fi\fi\fi% -}% %end of \tetralinevb macro -% \end{macrocode} -% \end{macro} -% -% \subsection{Vertical-top type} -% -% The macro |\tetralinevt| is used for drawing naphthalene derivatives -% of vertical-top type as well as naphthoquinone derivatives of -% vertical type. The skeleton and endocyclic double bonds are -% drawn directly, while substituents and exocyclic bonds are placed by -% useing the inner macro |\decalinevt|. -% \changes{v1.02}{1998/10/14}{Newly added command} -% -% The macro |\tetralinevt| has an argument |SUBSLIST| as well as an optional -% argument |OPT|. The latter designates a bond pattern in place of -% individual exocyclic bonds. -% -% \begin{verbatim} -% ******************************** -% * tetraline derivatives * -% * (vertical-bottom type) * -% ******************************** -% -% \tetralinevt[OPT]{SUBSLIST} -% \end{verbatim} -% -% The |OPT| argument contains one or two characters for designate -% aromatic bond patterns or for naphthoquinone bond patterns. -% -% \begin{verbatim} -% -% OPT = none : tetraline -% A : aromatic circle -% -% e or ea : 1,2-double bond -% eb : 2,3-double bond -% ec : 3,4-double bond -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 4 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% for n=5 or 8 -% -% nSa : bias bond -% This option can be used to avoid over-crowding -% betweem 1 and 8 or between 4 and 5. -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \tetralinevt{1==Cl;2==F} -% \tetralinevt[A]{1==Cl;4==F;2==CH$_{3}$} -% \tetralinevt[eb]{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl;7==Cl;8==Cl} -% \end{verbatim} -% -% \begin{macro}{\tetralinevt} -% \begin{macrocode} -\def\tetralinevt{\@ifnextchar[{\@tetralinevt}{\@tetralinevt[r]}} -\def\@tetralinevt[#1]#2{% - \iforigpt \typeout{command `tetralinevt' is based on `decalinevt'.}\fi% - \expandafter\threech@r#1{}{}% - \if\@tmpa r% right-handed set of double bonds - \decalinevt[fhk]{#2}% - \else\if\@tmpa A%aromatic circle - \decalinevt[A]{#2}% - \else\if\@tmpa e%inner double bond - \if\@tmpb a% (A)% - \decalinevt[afhk]{#2}% - \else\ifx\@tmpb\empty% (A) - \decalinevt[afhk]{#2}% - \else\if\@tmpb b% (B) - \decalinevt[bfhk]{#2}% - \else\if\@tmpb c% (C) - \decalinevt[cfhk]{#2}% - \fi\fi\fi\fi% - \else%1998/11/23 by Shinsaku Fujita - \decalinevt[@#1]{#2}% - \fi\fi\fi% -}% %end of \tetralinevt macro -% \end{macrocode} -% \end{macro} -% -% \subsection{Horizontal type} -% -% The macro |\tetralineh| is used for drawing tetraline derivatives -% of horizontal type. -% -% The macro |\tetralineh| has an argument |SUBSLIST| as well as an optional -% argument |OPT|. The latter designates a bond pattern in place of -% individual exocyclic bonds. -% -% \begin{verbatim} -% ************************* -% * tetraline derivatives * -% * (horizontal type) * -% ************************* -% -% \tetralineh[OPT]{SUBSLIST} -% \end{verbatim} -% -% The |OPT| argument contains one or two characters for designate -% aromatic bond patterns or for naphthoquinone bond patterns. -% -% \begin{verbatim} -% OPT = none : tetraline -% A : aromatic circle -% -% e or ea : 1,2-double bond -% eb : 2,3-double bond -% ec : 3,4-double bond -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 4 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% for n=5 or 8 -% -% nSa : bias bond -% This option can be used to avoid over-crowding -% betweem 1 and 8 or between 4 and 5. -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \tetralineh{1==Cl;2==F} -% \tetralineh[A]{1==Cl;4==F;2==CH$_{3}$} -% \tetralineh[eb]{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl;7==Cl;8==Cl} -% \end{verbatim} -% -% \begin{macro}{\tetralineh} -% \begin{macrocode} -\def\tetralineh{\@ifnextchar[{\@tetralineh}{\@tetralineh[r]}} -\def\@tetralineh[#1]#2{% - \iforigpt \typeout{command `tetralineh' is based on `decalineh'.}\fi% - \expandafter\threech@r#1{}{}% - \if\@tmpa r% right-handed set of double bonds - \decalineh[fhk]{#2}% - \else\if\@tmpa A%aromatic circle - \decalineh[A]{#2}% - \else\if\@tmpa e%inner double bond - \if\@tmpb a% (A)% - \decalineh[afhk]{#2}% - \else\ifx\@tmpb\empty% (A) - \decalineh[afhk]{#2}% - \else\if\@tmpb b% (B) - \decalineh[bfhk]{#2}% - \else\if\@tmpb c% (C) - \decalineh[cfhk]{#2}% - \fi\fi\fi\fi% -\else% added 1998/11/23 by S. Fujita - \decalineh[@#1]{#2}% - \fi\fi\fi% -}% %end of \tetralineh macro -% \end{macrocode} -% \end{macro} -% -% \section{Anthracene derivatives} -% \subsection{Perhydro-anthracene derivatives of Vertical type} -% -% The macro |\hanthracenev| is used for drawing perhydroanthracene -% derivatives of vertical type. -% -% The macro |\hanthracenev| has an argument |SUBSLIST| as well as an optional -% argument |BONDLIST|. -% -% \begin{verbatim} -% *********************************** -% * perhydro anthracene derivatives * -% * (vertical type) * -% *********************************** -% -% \hanthracenev[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one or more -% characters selected form a to p, each of which indicates -% the presence of an inner (endcyclic) double bond on the corresponding -% position. The character A, B, or C indicates an aromatic bond -% pattern (circle). -% \changes{v1.02}{1998/10/14}{BONDLIST: o, O, p and P at the fused bond} -% -% \begin{verbatim} -% BONDLIST = -% -% none : hanthracene -% a : 1,2-double bond -% b : 2,3-double bond -% c : 3,4-double bond -% d : 4,4a-double bond -% e : 10,4a-double bond -% f : 10,10a-double bond -% g : 5,10a-double bond -% h : 5,6-double bond -% i : 6,7-double bond -% j : 8,7-double bond -% k : 8,8a-double bond -% l : 9,8a-double bond -% m : 9,9a-double bond -% n : 1,9a-double bond -% o : 4a,9a-double bond -% O : 4a,9a-double bond in the other ring -% p : 10a,8a-double bond -% P : 10a,8a-double bond in the other ring -% A : right aromatic circle -% B : central aromatic circle -% C : left aromatic circle -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 10 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% \begin{verbatim} -% -% for 11 (fused positions, 9a and 4a) -% -% 11FA : alpha single bond at 9a -% 11FB : beta single bond at 9a -% 11FU : unspecified single bond at 9a -% 11GA : alpha single bond at 4a -% 11GB : beta single bond at 4a -% 11GU : unspecified single bond at 4a -% \end{verbatim} -% -% \begin{verbatim} -% -% for 12 (fused positions, 8a and 10a) -% -% 12FA : alpha single bond at 8a -% 12FB : beta single bond at 8a -% 12FU : unspecified single bond at 8a -% 12GA : alpha single bond at 10a -% 12GB : beta single bond at 10a -% 12GU : unspecified single bond at 10a -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \hanthracenev{1==Cl;2==F;{{10}}==OH} -% \hanthracenev[c]{1==Cl;4==F;2==CH$_{3}$; -% {{11}FA}==OH;{{11}FB}==OH} -% \hanthracenev[eb]{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl;7==Cl;8==Cl} -% \end{verbatim} -% -% \changes{v1.02}{1998/10/31}{The command \cs{setdecaringv} has -% been stopped to use.} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}, \cs{if@ylsw} -% \cs{ylfusedposition}, -% \cs{yl@shiftii}, \cs{@ylii}, \cs{@@ylii}, \cs{yl@shifti}, \cs{@yli}, -% \cs{@yli}, \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/25}{Added: fused rings} -% -% \begin{macro}{\hanthracenev} -% \begin{macrocode} -\def\hanthracenev{\@ifnextchar[{\@hanthracenev[@}{\@hanthracenev[r]}} -\def\@hanthracenev[#1]#2{% -% bonds for outer skeleton -\@reset@ylsw\reset@@yl -\ylposition{#2}{-7}{0}{2}{0}% %for 8 positions -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else\ylposition{#2}{-1}{3}{7}{0}% for 5 to 7 positions -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi\else -\ylposition{#2}{0}{0}{5}{0}% for 1 to 4 positions -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-684}\def\@@yli{0}\fi\else -\ylposition{#2}{-8}{0}{2}{0}%for 9-position -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi\else -\ylposition{#2}{-6}{3}{5}{0}%for 10-position -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi\else -\ylfusedposition{#2}{-11}{-1}{1}{0}% for 9a and 4a -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi\else -\ylfusedposition{#2}{-12}{-1}{1}{0}% for 8a and 10a -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi\fi -\if@ylsw - \yl@shiftii=\@ylii - \ifx\@@ylii\empty\else - \advance\yl@shiftii\@@ylii\fi - \yl@shifti=\@yli - \ifx\@@yli\empty\else - \advance\yl@shifti\@@yli\fi - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(1200,880)(-\shiftii,-\shifti) - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `hanthracenev' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi - \put(0,406){\line(-5,-3){171}}% %bond 8-7 - \put(0,406){\line(5,-3){171}}% %bond 8-8a - \put(0,0){\line(-5,3){171}}% %bond 5-6 - \put(0,0){\line(5,3){171}}% %bond 5-10a - \put(171,103){\line(0,1){200}}% %bond 10a-8a - \put(-171,103){\line(0,1){200}}% %bond 6-7 - \put(342,406){\line(-5,-3){171}}% %bond 9-8a - \put(342,406){\line(5,-3){171}}% %bond 9-9a - \put(342,0){\line(-5,3){171}}% %bond 10-10a - \put(342,0){\line(5,3){171}}% %bond 10-4a - \put(513,103){\line(0,1){200}}% %bond 4a-9a - %%%% - \put(684,406){\line(-5,-3){171}}% %bond 1-9a 1-6 - \put(684,406){\line(5,-3){171}}% %bond 1-2 1-2 - \put(855,103){\line(0,1){200}}% %bond 3-2 3-2 - \put(684,0){\line(5,3){171}}% %bond 4-3 4-3 - \put(684,0){\line(-5,3){171}}% %bond 4-4a 4-5 -% inner double bonds -\@tfor\member:=#1\do{% -\if\member r%no endcyclic double bonds -\else\if\member a% - \put(690,364){\line(5,-3){126}}% %double bond 1-2 -\else\if\member b% - \put(822,129){\line(0,1){148}}% %double bond 3-2 -\else\if\member c% - \put(690,42){\line(5,3){126}}% %double bond 4-3 -\else\if\member d% - \put(690,42){\line(-5,3){126}}% %double bond 4-4a -\else\if\member e% - \put(348,42){\line(5,3){126}}% %double bond 10-4a -\else\if\member f% - \put(348,42){\line(-5,3){126}}% %double bond 10-10a -\else\if\member g% - \put(6,42){\line(5,3){126}}% %double bond 5-10a -\else\if\member h% - \put(-6,42){\line(-5,3){126}}% %double bond 5-6 -\else\if\member i% - \put(-138,129){\line(0,1){148}}% %double bond 6-7 -\else\if\member j% - \put(-6,364){\line(-5,-3){126}}% %double bond 8-7 -\else\if\member k% - \put(6,364){\line(5,-3){126}}% %double bond 8-8a -\else\if\member l% - \put(348,364){\line(-5,-3){126}}% %double bond 9-8a -\else\if\member m% - \put(348,364){\line(5,-3){126}}% %double bond 9-9a -\else\if\member n% - \put(690,364){\line(-5,-3){126}}% %double bond 1-9a -\else\if\member o% - \put(544,129){\line(0,1){148}}% %double bond 4a-9a -\else\if\member O% - \put(482,129){\line(0,1){148}}% %double bond 4a-9a at the other ring -\else\if\member p% - \put(138,129){\line(0,1){148}}% %double bond 10a-8a -\else\if\member P% - \put(204,129){\line(0,1){148}}% %double bond 10a-8a at the other ring -\else\if\member C%left aromatic circle - \put(0,203){\circle{240}} %circle -\else\if\member B%right aromatic circle - \put(342,203){\circle{240}}% %circle -\else\if\member A%right aromatic circle - \put(684,203){\circle{240}}% %circle -\else -%setting fused rings - \expandafter\twoCH@R\member//% - \set@fusion@hanthrav -\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi} -%exocyclic bonds and substituents -\put(0,0){\setsixringv{#2}{-7}{0}{2}{0}}% %for 8 positions -\put(0,0){\setsixringv{#2}{-1}{3}{7}{0}}% %for 5 to 7 positions -\put(684,0){\setsixringv{#2}{0}{0}{5}{0}}% %for 1 to 4 positions -\put(342,0){\setsixringv{#2}{-8}{0}{2}{0}}%for 9-position -\put(342,0){\setsixringv{#2}{-6}{3}{5}{0}}%for 10-position -%bonds and substituents for fused positions -\put(0,0){\setfusedbond{#2}{-12}{-1}{1}{0}}% for 8a and 10a -\put(342,0){\setfusedbond{#2}{-11}{-1}{1}{0}}% for 9a and 4a -\end{picture}}% %end of \hanthracenev macro% -% \end{macrocode} -% \end{macro} -% -% \subsection{Anthracene and anthraquinone derivatives} -% -% The macro |\anthracenev| is used for drawing anthracene derivatives -% of vertical type. -% -% The macro |\anthracenev| has an argument |SUBSLIST| as well as an optional -% argument |OPT|. The latter designates a bond pattern in place of -% individual exocyclic bonds. -% -% \begin{verbatim} -% ******************************************** -% * anthracene and anthraquinone derivatives * -% * (vertical type) * -% ******************************************** -% -% \anthracenev[OPT]{SUBSLIST} -% \end{verbatim} -% -% The |OPT| argument contains one or two characters for designate -% aromatic bond patterns or for naphthoquinone bond patterns. -% -% \begin{verbatim} -% OPT (bond pattern) -% -% none or r : right-handed double bonds -% l : left-handed double bonds -% A : aromatic circle -% -% p or pa : 9,10-anthraquinone (A) -% pA : 9,10-anthraquinone (circle type) -% -% o : 1,2-anthraquinone (A) -% oa : 1,2-anthraquinone (A') -% oA : 1,2-anthraquinone (circle type) -% ob : 2,3-antharquinone (B) -% oc : 1,2-anthraquinone (C) -% -% q : 1,4-anthraquinone (A) -% qa : 1,4-anthraquinone (A') -% qA : 1,4-anthraquinone (circle type) -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 10 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \anthracenev{1==Cl;2==F;0FA==;0GA==} -% \anthracenev[A]{1==Cl;4==F;2==CH$_{3}$} -% \anthracenev[eb]{1D==O;4SA==MeO;4SB==OMe;% -% 5W==Cl;6==Cl;7==Cl;8==Cl} -% \end{verbatim} -% -% \begin{macro}{\anthracenev} -% \begin{macrocode} -\def\anthracenev{\@ifnextchar[{\@anthracenev}{\@anthracenev[r]}} -\def\@anthracenev[#1]#2{% - \iforigpt \typeout{command `anthracenev' is % - based on `hanthracenev'.}\fi% -%% \expandafter\threech@r#1{}{}%error1998/11/23 by Shinsaku Fujita - \expandafter\twoCH@R#1//% - \if\@tmpa r% right-handed set of double bonds - \hanthracenev[acflhjo]{#2}% - \else\if\@tmpa l% left-handed set of double bonds - \hanthracenev[acehjmp]{#2}% - \else\if\@tmpa A%aromatic circle - \hanthracenev[ABC]{#2}% - \else\if\@tmpa p%9,10-quinone - \if\@tmpb a% (A)% - \hanthracenev[achjop]{#2}% - \else\ifx\@tmpb\empty% (A) - \hanthracenev[achjop]{#2}% - \else\if\@tmpb A% circle type - \hanthracenev[AC]{#2}% - \else - \hanthracenev[achjop]{#2}% - \fi\fi\fi% - \else\if\@tmpa o%o-quinone - \if\@tmpb a% (A)% - \hanthracenev[cfjhlo]{#2}% - \else\ifx\@tmpb\empty% (A) - \hanthracenev[cehjmp]{#2}% - \else\if\@tmpb b% (B) - \hanthracenev[dfhjln]{#2}% - \else\if\@tmpb c% (C) - \hanthracenev[aehjmp]{#2}% - \else\if\@tmpb A% cicle type - \hanthracenev[cBC]{#2}% - \fi\fi\fi\fi\fi% - \else\if\@tmpa q%1,4-quinone - \if\@tmpb a% (A)% - \hanthracenev[bfhjlo]{#2}% - \else\ifx\@tmpb\empty% (A) - \hanthracenev[behjmp]{#2}% - \else\if\@tmpb A% circle type - \hanthracenev[AB]{#2}% - \else% - \hanthracenev[behjmp]{#2}% - \fi\fi\fi% - \else - \hanthracenev[@#1]{#2}% - \fi\fi\fi\fi\fi\fi% -}% %end of \anthracenev macro% -% \end{macrocode} -% \end{macro} -% -% \section{Phenanthrene derivatives} -% \subsection{Perhydro-phenanthrene derivatives of Vertical type} -% -% The macro |\hphenanthrenev| is used for drawing perhydrophenanthrene -% derivatives of vertical type. -% -% The macro |\hphenanthrenev| has an argument |SUBSLIST| as well as an -% optional argument |BONDLIST|. -% -% \begin{verbatim} -% ************************************* -% * perhydro phenanthrene derivatives * -% * (vertical type) * -% ************************************* -% -% \hphenanthrenev[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one or more -% characters selected form a to p, each of which indicates -% the presence of an inner (endcyclic) double bond on the corresponding -% position. The character A, B, or C indicates an aromatic bond -% pattern (circle). -% \changes{v1.02}{1998/10/14}{BONDLIST: o, O, p and P at the fused bond} -% -% \begin{verbatim} -% -% BONDLIST = -% -% none : hphenanthrene -% a : 1,2-double bond -% b : 2,3-double bond -% c : 3,4-double bond -% d : 4,4a-double bond -% e : 4a,4b-double bond -% f : 4b,5-double bond -% g : 5,6-double bond -% h : 6,7-double bond -% i : 7,8-double bond -% j : 8,8a-double bond -% k : 8a,9-double bond -% l : 9,10-double bond -% m : 10,10a-double bond -% n : 1,10a-double bond -% o : 4a,10a-double bond -% O : 4a,10a-double bond in the other ring -% p : 4b,8a-double bond -% P : 4b,8a-double bond in the other ring -% A : right aromatic circle -% B : central aromatic circle -% C : left aromatic circle -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 10 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% for 11 (fused positions, 4a and 10a) -% -% 11FA : alpha single bond at 4a -% 11FB : beta single bond at 4a -% 11FC : alpha single bond (downward) at 4a -% 11FD : beta single bond (downward) at 4a -% 11FU : unspecified single bond at 4a -% 11GA : alpha single bond at 10a -% 11GB : beta single bond at 10a -% 11FC : alpha single bond (upward) at 10a -% 11FD : beta single bond (upward) at 10a -% 11GU : unspecified single bond at 10a -% -% for 12 (fused positions, 4b and 8a) -% -% 12FA : alpha single bond at 4b -% 12FB : beta single bond at 4b -% 12FU : unspecified single bond at 4b -% 12GA : alpha single bond at 8a -% 12GB : beta single bond at 8a -% 12GU : unspecified single bond at 8a -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \hphenanthrenev{1==Cl;2==F;{{10}}==OH} -% \hphenanthrenev[c]{1==Cl;4==F;2==CH$_{3}$; -% {{11}FA}==OH;{{11}FB}==OH} -% \hphenanthrenev[eb]{1D==O;4SA==MeO;4SB==OMe; -% 5W==Cl;6==Cl;7==Cl;8==Cl} -% \end{verbatim} -% \changes{v1.02}{1998/10/15}{The command \cs{setdecaringv} has -% been stopped to use.} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}, \cs{if@ylsw} -% \cs{ylfusedposition}, -% \cs{yl@shiftii}, \cs{@ylii}, \cs{@@ylii}, \cs{yl@shifti}, \cs{@yli}, -% \cs{@yli}, \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/11/23}{Added: Fused rings} -% -% \begin{macro}{\hphenanthrenev} -% \begin{macrocode} -\def\hphenanthrenev{% - \@ifnextchar[{\@hphenanthrenev[@}{\@hphenanthrenev[r]}} -\def\@hphenanthrenev[#1]#2{% -% bonds for outer skeleton -\@reset@ylsw\reset@@yl -\ylposition{#2}{-4}{0}{2}{0}% %for 5 position -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -\ylposition{#2}{12}{3}{7}{-1}% %for 6 to 8 positions -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi\else -\ylposition{#2}{13}{2}{5}{-1}% %for 9 to 10 positions -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi\else -\ylposition{#2}{4}{0}{4}{-1}% %for 1 to 3 positions -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-513}\def\@@yli{-303}\fi\else -\ylposition{#2}{2}{5}{7}{0}% %for 4-position -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-513}\def\@@yli{-303}\fi\else -\ylfusedposition{#2}{-12}{-1}{1}{0}% % for 4b and 8a -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi\else -\ylfusedposition{#2}{-10}{0}{2}{0}% % for 4a and 10a -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi\fi -\if@ylsw - \yl@shiftii=\@ylii - \ifx\@@ylii\empty\else - \advance\yl@shiftii\@@ylii\fi - \yl@shifti=\@yli - \ifx\@@yli\empty\else - \advance\yl@shifti\@@yli\fi - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(1200,1200)(-\shiftii,-\shifti) - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `hphenanthrenev' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi - \put(0,406){\line(-5,-3){171}}% %bond 6-5 - \put(0,406){\line(5,-3){171}}% %bond 5-4a - \put(0,0){\line(-5,3){171}}% %bond 8-7 - \put(0,0){\line(5,3){171}}% %bond 8-8a - \put(171,103){\line(0,1){200}}% %bond 8a-4b - \put(-171,103){\line(0,1){200}}% %bond 7-6 - \put(342,406){\line(-5,-3){171}}% %bond 4a-4b - \put(342,406){\line(5,-3){171}}% %bond 4a-10a - \put(342,0){\line(-5,3){171}}% %bond 9-8a - \put(342,0){\line(5,3){171}}% %bond 9-10 - \put(513,103){\line(0,1){200}}% %bond 10-10a - %%%% - \put(342,406){\line(0,1){200}}% %bond 4a-4 - \put(513,709){\line(-5,-3){171}}% %bond 3-4 - \put(513,709){\line(5,-3){171}}% %bond 3-2 - \put(684,406){\line(0,1){200}}% %bond 1-2 - \put(513,303){\line(5,3){171}}% %bond 10a-1 -% inner double bonds -\@tfor\member:=#1\do{% -\if\member r%no endcyclic double bonds -\else\if\member a% - \put(651,432){\line(0,1){148}}% %double bond 1-2 -\else\if\member b% - \put(519,667){\line(5,-3){126}}% %double bond 3-2 -\else\if\member c% - \put(519,667){\line(-5,-3){126}}% %double bond 3-4 -\else\if\member d% - \put(375,432){\line(0,1){148}}% %double bond 4a-4 -\else\if\member e% - \put(348,364){\line(-5,-3){126}}% %double bond 4a-4b -\else\if\member f% - \put(6,364){\line(5,-3){126}}% %double bond 5-4b -\else\if\member g% - \put(-6,364){\line(-5,-3){126}}% %double bond 5-6 -\else\if\member h% - \put(-138,129){\line(0,1){148}}% %double bond 6-7 -\else\if\member i% - \put(-6,42){\line(-5,3){126}}% %double bond 8-7 -\else\if\member j% - \put(6,42){\line(5,3){126}}% %double bond 8-8a -\else\if\member k% - \put(348,42){\line(-5,3){126}}% %double bond 9-8a -\else\if\member l% - \put(348,42){\line(5,3){126}}% %double bond 9-10 -\else\if\member m% - \put(482,129){\line(0,1){148}}% %double bond 10-10a -\else\if\member n% - \put(519,345){\line(5,3){126}}% %double bond 10a-1 -\else\if\member o% - \put(507,345){\line(-5,3){126}}% %double bond 10a-4a -\else\if\member O% - \put(348,364){\line(5,-3){126}}% %double bond 4a-10a -\else\if\member p% - \put(138,129){\line(0,1){148}}% %double bond 8a-4b -\else\if\member P% - \put(204,129){\line(0,1){148}}% %double bond 8a-4b -\else\if\member C%left aromatic circle - \put(0,203){\circle{240}} %circle -\else\if\member B%right aromatic circle - \put(342,203){\circle{240}}% %circle -\else\if\member A%right aromatic circle - \put(513,506){\circle{240}}% %circle -\else -% setting fused rings - \expandafter\twoCH@R\member//% - \set@fusion@hphenanv -\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi}% -%exocyclic bonds and substituents -\put(0,0){\setsixringv{#2}{-4}{0}{2}{0}}% %for 5 position -\put(0,0){\setsixringv{#2}{12}{3}{7}{-1}}% %for 6 to 8 positions -\put(342,0){\setsixringv{#2}{13}{2}{5}{-1}}% %for 9 to 10 positions -\put(513,303){\setsixringv{#2}{4}{0}{4}{-1}}% %for 1 to 3 positions -\put(513,303){\setsixringv{#2}{2}{5}{7}{0}}% %for 4-position -%bonds and substituents for fused positions -\put(0,0){\setfusedbond{#2}{-12}{-1}{1}{0}}% % for 4b and 8a -\put(342,0){\setfusedbond{#2}{-10}{0}{2}{0}}% % for 4a and 10a -\end{picture}}% %end of \hphenanthrenev macro% -% \end{macrocode} -% \end{macro} -% -% \subsection{Phenanthrene and phenanthroquinone derivatives} -% -% The macro |\phenanthrenev| is used for drawing phenanthrene derivatives -% of vertical type. -% -% The macro |\anthracenev| has an argument |SUBSLIST| as well as an optional -% argument |OPT|. The latter designates a bond pattern in place of -% individual exocyclic bonds. -% -% \begin{verbatim} -% ********************************* -% * phenanthrene and derivatives * -% * (vertical type) * -% ********************************* -% -% \phenanthrenev[OPT]{SUBSLIST} -% \end{verbatim} -% -% The |OPT| argument contains one or two characters for designate -% aromatic bond patterns or for naphthoquinone bond patterns. -% -% \begin{verbatim} -% OPT (bond pattern) -% -% none or r : right-handed double bonds -% A : aromatic circle -% -% p or pa : 1,4-quinone (A) -% pA : 1,4-quinone (circle type) -% -% o or oa : 1,2-quinone (A) -% oA : 1,2-quinone (circle type) -% ob : 2,3-quinone (B) -% oc : 3,4-anthraquinone (C) -% -% q or qa : 9,10-quinone -% qA : 9,10-quinone (circle type) -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 10 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \phenanthrenev{1==Cl;2==F} -% \phenanthrenev[A]{1==Cl;4==F;2==CH$_{3}$} -% \phenanthrenev[eb]{1D==O;4SA==MeO;4SB==OMe;% -% 5W==Cl;6==Cl;7==Cl;8==Cl} -% \end{verbatim} -% -% \begin{macro}{\phenanthrenev} -% \begin{macrocode} -\def\phenanthrenev{\@ifnextchar[{\@phenanthrenev}{\@phenanthrenev[r]}} -\def\@phenanthrenev[#1]#2{% - \iforigpt \typeout{command `phenanthrenev' is % - based on `hphenantherenv'.}\fi% - \expandafter\threech@r#1{}{}% - \if\@tmpa r% right-handed set of double bonds - \hphenanthrenev[acgilop]{#2}% - \else\if\@tmpa A%aromatic circle - \hphenanthrenev[ABC]{#2}% - \else\if\@tmpa p%1,4-quinone - \if\@tmpb a% (A)% - \hphenanthrenev[bgilop]{#2}% - \else\ifx\@tmpb\empty% (A) - \hphenanthrenev[bgilop]{#2}% - \else\if\@tmpb A% circle type - \hphenanthrenev[BCb]{#2}% - \else - \hphenanthrenev[bgilop]{#2}% - \fi\fi\fi% - \else\if\@tmpa o%o-quinone - \if\@tmpb a% (A)% - \hphenanthrenev[cgilop]{#2}% - \else\ifx\@tmpb\empty% (A) - \hphenanthrenev[cgilop]{#2}% - \else\if\@tmpb b% (B) - \hphenanthrenev[dgilnp]{#2}% - \else\if\@tmpb c% (C) - \hphenanthrenev[agilop]{#2}% - \else\if\@tmpb A% cicle type - \hphenanthrenev[cBC]{#2}% - \fi\fi\fi\fi\fi% - \else\if\@tmpa q%9,10-quinone - \if\@tmpb a% (A)% - \hphenanthrenev[acgiop]{#2}% - \else\ifx\@tmpb\empty% (A) - \hphenanthrenev[acgiop]{#2}% - \else\if\@tmpb A% circle type - \hphenanthrenev[AC]{#2}% - \else - \hphenanthrenev[acgiop]{#2}% - \fi\fi\fi% - \else - \hphenanthrenev[@#1]{#2}% - \fi\fi\fi\fi\fi% -}% %end of \phenanthrenev macro% -% \end{macrocode} -% \end{macro} -% -% \section{Steroids} -% \subsection{Steroids without a chain} -% -% The macro |\steroid| is used for drawing steroids. -% -% The macro |\steroid| has an argument |SUBSLIST| as well as an -% optional argument |BONDLIST|. -% -% \begin{verbatim} -% *********************** -% * steroid derivatives * -% *********************** -% -% \steroid[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one or more -% characters selected form a to t, each of which indicates -% the presence of an inner (endcyclic) double bond on the corresponding -% position. The character A, B, or C indicates an aromatic bond -% pattern (circle). -% \changes{v1.02}{1998/10/15}{BONDLIST: k, K, h, H, o and O -% at the fused bond} -% -% \begin{verbatim} -% BONDLIST = -% -% none: steroid skeleton -% a : 1,2-double bond b : 2,3-double bond -% c : 3,4-double bond d : 4,5-double bond -% e : 6,5-double bond f : 6,7-double bond -% g : 7,8-double bond -% h : 9,8-double bond -% h : 9,8-double bond in the other bond -% i : 9,10-double bond j : 1,10-double bond -% k : 5,10-double bond -% K : 5,10-double bond in the other bond -% l : 9,11-double bond -% m : 12,11-double bond n : 12,13-double bond -% o : 14,13-double bond -% O : 14,13-double bond in the other bond -% p : 8,14-double bond -% q : 14,15-double bond r : 15,16-double bond -% s : 17,16-double bond t : 17,13-double bond -% A : aromatic A ring B : aromatic B ring -% C : aromatic C ring -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 17 (execpt fused positions) -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom (boldface) -% nB : beta single bond at n-atom (dotted line) -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% For numbers larger than 9 (two digits), you should designate -% the SUBSLIST as -% -% \begin{verbatim} -% {{11}A}==Cl;{{12}SA}==H;{{12}SB}==Cl; -% \end{verbatim} -% -% \begin{verbatim} -% for n = 5,8,9,10,13 and 14 (fused positions) -% -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom (boldface) -% nB : beta single bond at n-atom (dotted line) -% nU : unspecified single bond at n-atom -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \steroid{1==Cl;2==F;{{10}}==OH} -% \steroid[c]{1==Cl;4==F;2==CH$_{3}$; -% {{11}SA}==OH;{{11}SB}==OH} -% \steroid[eb]{1D==O;4SA==MeO;4SB==OMe; -% 5==Cl;6==Cl;7==Cl;8==Cl} -% \end{verbatim} -% \changes{v1.02}{1998/10/15}{The command \cs{setdecaringv} has -% been stopped to use.} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}, \cs{if@ylsw} -% \cs{ylfusedposition}, -% \cs{yl@shiftii}, \cs{@ylii}, \cs{@@ylii}, \cs{yl@shifti}, \cs{@yli}, -% \cs{@yli}, \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v1.02}{1998/10/31}{Inner commands \cs{yl@steroidposition} -% and \cs{@steroidskeleton} are separated from the \cs{@steroid} command.} -% \changes{v2.00}{1998/12/5}{Add: fused rings} -% -% \begin{macro}{\steroid} -% \begin{macro}{\yl@steroidposition} -% \begin{macro}{\@steroidskeleton} -% \begin{macrocode} -\def\steroid{\@ifnextchar[{\@steroid[@}{\@steroid[Z]}} -\def\@steroid[#1]#2{% -% bonds for outer skeleton -\@reset@ylsw\reset@@yl -\yl@steroidposition{#2}% -\if@ylsw - \yl@shiftii=\@ylii - \ifx\@@ylii\empty\else - \advance\yl@shiftii\@@ylii\fi - \yl@shifti=\@yli - \ifx\@@yli\empty\else - \advance\yl@shifti\@@yli\fi - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(1600,1300)(-\shiftii,-\shifti) - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `steroid' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi - \put(0,0){\@steroidskeleton{#1}{#2}}% -\end{picture}}% %end of \steroid macro% -% \end{macrocode} -% -% The |\yl@steroidposition| is derived from |\ylposition| and -% |\ylatombondposition| to use in the |\steroid| command as well as -% in the |\steroidchain| command. -% \changes{v1.02}{1998/10/31}{Inner commands \cs{yl@steroidposition} -% and \cs{@steroidskeleton} are separated from the \cs{@steroid} command.} -% -% \begin{macrocode} -\def\yl@steroidposition#1{% -\ylposition{#1}{0}{0}{2}{0}% %for 1 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -\ylposition{#1}{8}{3}{7}{-1}% %for 2 to 4 positions -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi\else -\ylposition{#1}{10}{2}{5}{-1}% %for 6 to 7 positions -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi\else -\ylposition{#1}{-11}{0}{2}{0}%for 12 position -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-513}\def\@@yli{-303}\fi\else -\ylposition{#1}{-5}{5}{7}{0}% %for 11 position -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-513}\def\@@yli{-303}\fi\else -\ylposition{#1}{18}{0}{4}{-1}%for 15 to 17 positions -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-855}\def\@@yli{-303}\fi\else -\ylatombondposition{#1}{-4}{7}% % for 5 -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-171}\def\@@yli{-103}\fi\else -\ylatombondposition{#1}{-9}{1}% % for 10 -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-171}\def\@@yli{-303}\fi\else -\ylatombondposition{#1}{-7}{1}% % for 8 -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-513}\def\@@yli{-303}\fi\else -\ylatombondposition{#1}{-8}{7}% % for 9 -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{-406}\fi\else -\ylatombondposition{#1}{-13}{7}% % for 14 -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-684}\def\@@yli{-406}\fi\else -\ylatombondposition{#1}{-12}{1}% % for 13 -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-684}\def\@@yli{-606}\fi\fi% -}% end of \yl@steroidposition -% \end{macrocode} -% -% The |\@steroidskeleton| is separated from the definition of |\steroid| -% so as to be used also in the definition of |\steroidchain|. -% \changes{v1.02}{1998/10/31}{Inner commands \cs{yl@steroidposition} -% and \cs{@steroidskeleton} are separated from the \cs{@steroid} command.} -% \changes{v2.00}{1998/11/23}{Added: fused rings} -% -% \begin{macrocode} -\def\@steroidskeleton#1#2{% - \put(0,406){\line(-5,-3){171}}% %bond 1-2 - \put(0,406){\line(5,-3){171}}% %bond 1-10 - \put(0,0){\line(-5,3){171}}% %bond 4-3 - \put(0,0){\line(5,3){171}}% %bond 4-5 - \put(171,103){\line(0,1){200}}% %bond 5-10 - \put(-171,103){\line(0,1){200}}% %bond 3-2 - \put(342,406){\line(-5,-3){171}}% %bond 9-10 - \put(342,406){\line(5,-3){171}}% %bond 9-8 - \put(342,0){\line(-5,3){171}}% %bond 6-5 - \put(342,0){\line(5,3){171}}% %bond 6-7 - \put(513,103){\line(0,1){200}}% %bond 7-8 - %%%% - \put(342,406){\line(0,1){200}}% %bond 9-11 - \put(513,709){\line(-5,-3){171}}% %bond 12-11 - \put(513,709){\line(5,-3){171}}% %bond 12-13 - \put(684,406){\line(0,1){200}}% %bond 14-13 - \put(513,303){\line(5,3){171}}% %bond 8-14 - %%%% - \put(855,709){\line(-5,-3){171}}% %bond 17-13 - \put(855,709){\line(5,-3){171}}% %bond 17-16 - \put(1026,406){\line(0,1){200}}% %bond 15-16 - \put(684,406){\line(1,0){342}}% %bond 14-15 -% inner double bonds -\@tfor\member:=#1\do{% -\if\member Z%no endcyclic double bonds -\else\if\member a% - \put(-6,364){\line(-5,-3){126}}% %double bond 1-2 5-6 -\else\if\member b% - \put(-138,129){\line(0,1){148}}% %double bond 3-2 6-7 -\else\if\member c% - \put(-6,42){\line(-5,3){126}}% %double bond 4-3 8-7 -\else\if\member d% - \put(6,42){\line(5,3){126}}% %double bond 4-5 8-8a -\else\if\member e% - \put(348,42){\line(-5,3){126}}% %double bond 6-5 9-8a -\else\if\member f% - \put(348,42){\line(5,3){126}}% %double bond 6-7 9-10 -\else\if\member g% - \put(482,129){\line(0,1){148}}% %double bond 7-8 10-10a -\else\if\member h% - \put(507,345){\line(-5,3){126}}% %double bond 8-9 10a-4a -\else\if\member H% - \put(348,364){\line(5,-3){126}}% %double bond 9-8 4a-10a -\else\if\member i% - \put(348,364){\line(-5,-3){126}}% %double bond 9-10 4a-4b -\else\if\member j% - \put(6,364){\line(5,-3){126}}% %double bond 1-10 5-4b -\else\if\member k% - \put(138,129){\line(0,1){148}}% %double bond 5-10 8a-4b -\else\if\member K% - \put(204,129){\line(0,1){148}}% %double bond 5-10 8a-4b -\else\if\member l% - \put(375,432){\line(0,1){148}}% %double bond 9-11 4-5 -\else\if\member m% - \put(519,667){\line(-5,-3){126}}% %double bond 12-11 3-4 -\else\if\member n% - \put(519,667){\line(5,-3){126}}% %double bond 12-13 3-2 -\else\if\member o% - \put(651,432){\line(0,1){148}}% %double bond 13-14 1-2 -\else\if\member O% - \put(717,432){\line(0,1){148}}% %double bond 13-14 1-2 -\else\if\member p% - \put(519,345){\line(5,3){126}}% %double bond 8-14 10a-1 -\else\if\member q% - \put(720,439){\line(1,0){260}}% %double bond 14-15 -\else\if\member r% - \put(993,432){\line(0,1){148}}% %double bond 15-16 1-2 -\else\if\member s% - \put(861,667){\line(5,-3){126}}% %double bond 17-16 3-2 -\else\if\member t% - \put(861,667){\line(-5,-3){126}}% %double bond 17-13 3-4 -\else\if\member A%left aromatic circle - \put(0,203){\circle{240}}% %circle -\else\if\member B%right aromatic circle - \put(342,203){\circle{240}}% %circle -\else\if\member C%right aromatic circle - \put(513,506){\circle{240}}% %circle -\else -% setting fused rings - \expandafter\twoCH@R\member//% - \set@fusion@steroid -\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -\fi\fi\fi\fi\fi\fi\fi\fi\fi}% -%exocyclic bonds and substituents -\iniflag -\put(0,0){\setsixringv{#2}{0}{0}{2}{0}}% %for 1 -\put(0,0){\setsixringv{#2}{8}{3}{7}{-1}}% %for 2 to 4 positions -\put(342,0){\setsixringv{#2}{10}{2}{5}{-1}}% %for 6 to 7 positions -\put(513,303){\setsixringv{#2}{-11}{0}{2}{0}}%for 12 position -\put(513,303){\setsixringv{#2}{-5}{5}{7}{0}}% %for 11 position -\put(855,303){\setsixringv{#2}{18}{0}{4}{-1}}%for 15 to 17 positions -%bonds and substituents for fused positions -\put(171,103){\setatombond{#2}{-4}{7}}% % for 5 -\put(171,303){\setatombond{#2}{-9}{1}}% % for 10 -\put(513,303){\setatombond{#2}{-7}{1}}% % for 8 -\put(342,406){\setatombond{#2}{-8}{7}}% % for 9 -\put(684,406){\setatombond{#2}{-13}{7}}% % for 14 -\put(684,606){\setatombond{#2}{-12}{1}}% % for 13 -}% end of \@steroidskeleton -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The macro |\set@fusion@steroid| is an inner command contained -% in the definition of |\steroidskeleton|, where -% the macro is used for setting an additive -% or a fused ring at each bond (designated by |\@@tmpa|). The -% fused ring is typeset by the inner command |\set@fusionadd@sixv|. -% -% \begin{macro}{\set@fusion@steroid} -% \changes{v2.00}{1998/11/23}{New command: \cs{set@fusion@steroid}} -% \begin{macrocode} -\def\set@fusion@steroid{% - \let\@@tmpa=\@tmpa - \let\@@tmpb=\@tmpb - \if\@tmpa a% - \edef\@@tmpa{f}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa A% - \edef\@@tmpa{F}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa b% - \edef\@@tmpa{e}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa B% - \edef\@@tmpa{E}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa c% - \edef\@@tmpa{d}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa C% - \edef\@@tmpa{D}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa d% - \edef\@@tmpa{c}% - \put(0,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `d'}% - \fi - \else\if\@tmpa D% - \edef\@@tmpa{C}% - \put(0,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `D'}% - \fi - \else\if\@tmpa e% - \edef\@@tmpa{d}% - \put(342,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `e'}% - \fi - \else\if\@tmpa E% - \edef\@@tmpa{D}% - \put(342,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `E'}% - \fi - \else\if\@tmpa f% - \edef\@@tmpa{c}% - \put(342,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `f'}% - \fi - \else\if\@tmpa F% - \edef\@@tmpa{C}% - \put(342,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `f'}% - \fi - \else\if\@tmpa g% - \edef\@@tmpa{b}% - \put(342,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `g'}% - \fi - \else\if\@tmpa G% - \edef\@@tmpa{B}% - \put(342,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `g'}% - \fi - \else\if\@tmpa h% - \edef\@@tmpa{a}% - \put(342,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Forbidden Fusion for bond `h'}% - \fi - \else\if\@tmpa H% - \edef\@@tmpa{A}% - \put(342,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Forbidden Fusion for bond `H'}% - \fi - \else\if\@tmpa i% - \edef\@@tmpa{f}% - \put(342,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `i'}% - \fi - \else\if\@tmpa I% - \edef\@@tmpa{F}% - \put(342,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `I'}% - \fi - \else\if\@tmpa j% - \edef\@@tmpa{a}% - \put(0,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `j'}% - \fi - \else\if\@tmpa J% - \edef\@@tmpa{A}% - \put(0,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `J'}% - \fi - \else\if\@tmpa k% - \edef\@@tmpa{b}% - \put(0,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Forbidden Fusion for bond `k'}% - \fi - \else\if\@tmpa K% - \edef\@@tmpa{B}% - \put(0,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Forbidden Fusion for bond `K'}% - \fi - \else\if\@tmpa l% - \edef\@@tmpa{e}% - \put(513,303){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `l'}% - \fi - \else\if\@tmpa L% - \edef\@@tmpa{E}% - \put(513,303){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `L'}% - \fi - \else\if\@tmpa m% - \edef\@@tmpa{f}% - \put(513,303){\set@fusionadd@sixv}% - \else\if\@tmpa M% - \edef\@@tmpa{F}% - \put(513,303){\set@fusionadd@sixv}% - \else\if\@tmpa n% - \edef\@@tmpa{a}% - \put(513,303){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `n'}% - \fi - \else\if\@tmpa N% - \edef\@@tmpa{A}% - \put(513,303){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `N'}% - \fi - \else\if\@tmpa o% - \edef\@@tmpa{b}% - \put(513,303){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Forbidden Fusion for bond `o'}% - \fi - \else\if\@tmpa O% - \edef\@@tmpa{B}% - \put(513,303){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Forbidden Fusion for bond `O'}% - \fi - \else\if\@tmpa p% - \edef\@@tmpa{c}% - \put(513,303){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `N'}% - \fi - \else\if\@tmpa P% - \edef\@@tmpa{C}% - \put(513,303){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `N'}% - \fi - \else\if\@tmpa q% - \XyMTeXWarning{Mismatched dimension for bond `q'}% - \else\if\@tmpa Q% - \XyMTeXWarning{Mismatched dimension for bond `Q'}% - \else\if\@tmpa r% - \edef\@@tmpa{b}% - \put(855,303){\set@fusionadd@sixv}% - \else\if\@tmpa R% - \edef\@@tmpa{B}% - \put(855,303){\set@fusionadd@sixv}% - \else\if\@tmpa s% - \edef\@@tmpa{a}% - \put(855,303){\set@fusionadd@sixv}% - \else\if\@tmpa S% - \edef\@@tmpa{A}% - \put(855,303){\set@fusionadd@sixv}% - \else\if\@tmpa t% - \edef\@@tmpa{f}% - \put(855,303){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `t'}% - \fi - \else\if\@tmpa T% - \edef\@@tmpa{F}% - \put(855,303){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `T'}% - \fi - \fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@steroid -% \end{macrocode} -% \end{macro} -% -% \subsection{Steroids with a chain} -% -% The macro |\steroidchain| is used for drawing steroids. -% -% The macro |\steroidchain| has an argument |SUBSLIST| as well as an -% optional argument |BONDLIST|. -% -% \begin{verbatim} -% ************************************** -% * steroid derivatives having a chain * -% ************************************** -% -% \steroidchain[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one or more -% characters selected form a to t, each of which indicates -% the presence of an inner (endcyclic) double bond on the corresponding -% position. The character A, B, or C indicates an aromatic bond -% pattern (circle). A two-character string `Z?' indicates -% a double bond in the side-chain. -% -% \begin{verbatim} -% BONDLIST = -% -% (double bonds for the steroid skeleton) -% none: no action on the steroid skeleton -% a : 1,2-double bond b : 2,3-double bond -% c : 3,4-double bond d : 4,5-double bond -% e : 6,5-double bond f : 6,7-double bond -% g : 7,8-double bond h : 9,8-double bond -% i : 9,10-double bond j : 1,10-double bond -% k : 5,10-double bond l : 9,11-double bond -% m : 12,11-double bond n : 12,13-double bond -% o : 14,13-double bond p : 8,14-double bond -% q : 14,15-double bond r : 15,16-double bond -% s : 17,16-double bond t : 17,13-double bond -% A : aromatic A ring B : aromatic B ring -% C : aromatic C ring -% \end{verbatim} -% -% \begin{verbatim} -% (double bonds for the side chain) -% Z : no action -% Za : 17,20-double bond Zb : 20,22-double bond -% Zc : 22,23-double bond Zd : 23,24-double bond -% Ze : 24,25-double bond Zf : 25,26-double bond -% Zg : 25,27-double bond -% \end{verbatim} -% -% For a two-character indicator, you should write the BONDLIST -% as, e.g. -% -% \begin{verbatim} -% [b{Za}{Zc}...] -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 24 (execpt fused positions) -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom (boldface) -% nB : beta single bond at n-atom (dotted line) -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% For numbers larger than 9 (two digits), you should designate -% the SUBSLIST as -% -% \begin{verbatim} -% {{11}A}==Cl;{{12}SA}==H;{{12}SB}==Cl; ... -% \end{verbatim} -% -% \begin{verbatim} -% for n = 5,8,9,10,13,14,and 25 (fused positions etc.) -% -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom (boldface) -% nB : beta single bond at n-atom (dotted line) -% nU : unspecified single bond at n-atom -% \end{verbatim} -% -% \begin{verbatim} -% e.g. -% -% \steroidchain{1==Cl;2==F;{{10}}==OH} -% \steroidchain[c]{1==Cl;4==F;2==CH$_{3}$;% -% {{11}SA}==OH;{{11}SB}==OH} -% \steroidchain[b]{1D==O;4SA==MeO;4SB==OMe;% -% ;6==Cl;7==Cl;11==Cl} -% \end{verbatim} -% -% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}, \cs{if@ylsw} -% \cs{ylfusedposition}, -% \cs{yl@shiftii}, \cs{@ylii}, \cs{@@ylii}, \cs{yl@shifti}, \cs{@yli}, -% \cs{@yli}, \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v1.02}{1998/10/31}{The inner commands \cs{yl@steroidposition} -% is used. The old \cs{steroid} is replaced by \cs{@steroidskeleton}.} -% \changes{v2.00}{1998/11/31}{Add: fused rings} -% -% \begin{macro}{\steroidchain} -% \begin{macrocode} -\def\steroidchain{\@ifnextchar[{\@steroidchain[@}{\@steroidchain[Z]}} -\def\@steroidchain[#1]#2{% -%shift due to the steroid skeleton -\@reset@ylsw\reset@@yl -\yl@steroidposition{#2}% -%shift due to the side chain -\ylposition{#2}{-21}{0}{3}{0}%for 22 and 23 positions -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-1026}\def\@@yli{-606}\fi -\else -\ylposition{#2}{-14}{5}{7}{0}%for 20 position -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-1026}\def\@@yli{-606}\fi\else -\ylposition{#2}{-20}{3}{5}{0}%for 24 position -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-1197}\def\@@yli{-709}\fi\else -\ylatombondposition{#2}{-24}{4}% % for 5 -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-1397}\def\@@yli{-709}\fi\fi -\if@ylsw - \yl@shiftii=\@ylii - \ifx\@@ylii\empty\else - \advance\yl@shiftii\@@ylii\fi - \yl@shifti=\@yli - \ifx\@@yli\empty\else - \advance\yl@shifti\@@yli\fi - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(2000,1500)(-\shiftii,-\shifti) - \iforigpt \typeout{command `steroidchain' is based on `steroid'.}\fi% -\fi -% steroid skeleton - \put(0,0){\@steroidskeleton{#1}{#2}}% -% bonds for the side chain (carbons 20 to 27 (except 21)) - \put(855,709){\line(0,1){200}}% %bond 17-20 - \put(1026,1012){\line(-5,-3){171}}% %bond 22-20 - \put(1026,1012){\line(5,-3){171}}% %bond 22-23 - \put(1197,709){\line(0,1){200}}% %bond 24-23 - \put(1197,709){\line(1,0){200}}% %bond 24-25 - \put(1397,709){\line(3,5){103}}% %bond 25-26 - \put(1397,709){\line(3,-5){103}}% %bond 25-27 -% double bonds along the side chain -\@tfor\member:=#1\do{% -\expandafter\twoCH@R\member//\relax% -\if\@tmpa Z\relax% - \ifx\@tmpb\empty%no action - \else\if\@tmpb a% - \put(888,735){\line(0,1){148}}% %double bond 17-20 - \else\if\@tmpb b% - \put(1020,970){\line(-5,-3){126}}% %double bond 22-20 - \else\if\@tmpb c% - \put(1032,970){\line(5,-3){126}}% %double bond 22-23 - \else\if\@tmpb d% - \put(1164,735){\line(0,1){148}}% %double bond 24-23 - \else\if\@tmpb e% - \put(1233,742){\line(1,0){140}}% %double bond 24-25 - \else\if\@tmpb f% - \put(1433,715){\line(3,5){72}}% %double bond 25-26 - \else\if\@tmpb g% - \put(1433,697){\line(3,-5){72}}% %double bond 25-27 - \fi\fi\fi\fi\fi\fi\fi\fi\fi} -% substitution on the side chain -\put(1026,606){\setsixringv{#2}{-21}{0}{3}{0}}%for 22 and 23 positions -\put(1026,606){\setsixringv{#2}{-14}{5}{7}{0}}%for 20 position -\put(1197,709){\setsixringv{#2}{-20}{3}{5}{0}}%for 24 position -\put(1397,709){\setatombond{#2}{-24}{4}}% % for 5 -\end{picture}}% %end of \steroidchain macro% -% -% \end{macrocode} -% \end{macro} -% -% \Finale -% -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/carom.ins b/Master/texmf-dist/source/latex/xymtex/carom.ins deleted file mode 100644 index 922c74a0936..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/carom.ins +++ /dev/null @@ -1,51 +0,0 @@ -\def\batchfile{carom.ins} -\input docstrip.tex -\preamble - -This is a generated file. - -Copyright 1996, 1988, 2000 by Shinsaku Fujita - -This file is part of the XyMTeX system. -======================================= - -Version 1.01 Released on August 16, 1996 -Version 1.02 Released on October 31, 1998 -Version 2.00 Released on December 25, 1998 -Version 2.00a Released on June 14, 2000 - -Copyright (C) 1996,1998,2000 by Shinsaku Fujita, all rights reserved. -This style file is created for drawing chemical structural formulas -This style file is to be contained in the ``xymtex'' directory which -is an input directory for TeX. - -Copying of this file is authorized only if either - - (1) you make absolutely no changes to your copy, including name and - directory name - (2) if you do make changes, - (a) you name it something other than the names included in the - ``xymtex'' directory and - (b) you acknowledge the original name. - This restriction ensures that all standard styles are identical. - -======================================= - -This file contains several codes modified from latex.tex (LaTeX2.09) -and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -Copyright 1994 the LaTeX3 project and the individual authors (For further -copyright information see the file legal.txt of the LaTeX2e standard -distribution, and any other copyright indicated in this file.) - -\endpreamble - -\keepsilent - -\generateFile{carom.drv}{t}{% - \from{carom.dtx}{driver}} - -\generateFile{carom.sty}{t}{% - \from{carom.dtx}{carom}} - -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/ccycle.drv b/Master/texmf-dist/source/latex/xymtex/ccycle.drv deleted file mode 100644 index 783f24c071e..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/ccycle.drv +++ /dev/null @@ -1,81 +0,0 @@ -%% -%% This is file `ccycle.drv', -%% generated with the docstrip utility. -%% -%% The original source files were: -%% -%% ccycle.dtx (with options: `driver') -%% -%% This is a generated file. -%% -%% Copyright 1996,1998 by Shinsaku Fujita -%% -%% This file is part of the XyMTeX system. -%% ======================================= -%% -%% Version 1.01 Released on August 16, 1996 -%% Version 1.02 Released on October 31, 1996 -%% Version 2.00 Released on December 25, 1998 -%% -%% Copyright (C) 1996,1998 by Shinsaku Fujita, all rights reserved. -%% This style file is created for drawing chemical structural formulas -%% This style file is to be contained in the ``xymtex'' directory which -%% is an input directory for TeX. -%% -%% Copying of this file is authorized only if either -%% -%% (1) you make absolutely no changes to your copy, including name and -%% directory name -%% (2) if you do make changes, -%% (a) you name it something other than the names included in the -%% ``xymtex'' directory and -%% (b) you acknowledge the original name. -%% This restriction ensures that all standard styles are identical. -%% -%% ======================================= -%% -%% This file contains several codes modified from latex.tex (LaTeX2.09) -%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -%% Copyright 1994 the LaTeX3 project and the individual authors (For further -%% copyright information see the file legal.txt of the LaTeX2e standard -%% distribution, and any other copyright indicated in this file.) -%% -%% File: ccycle.dtx -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -\NeedsTeXFormat{pLaTeX2e} -\ProvidesFile{ccycle.dtx}[1998/12/25 v2.00 XyMTeX{} package file] -\documentclass{ltxdoc} -\GetFileInfo{ccycle.dtx} -\def\UPSILON{\char'7} -\def\XyM{X\kern-.30em\smash{% -\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}} -\def\XyMTeX{\XyM\kern-.1em\TeX} -\title{Further Cyclic Compounds by {\sffamily ccycle.sty} -(\fileversion) of \XyMTeX{}} -\author{Shinsaku Fujita \\ -Department of Chemistry and Materials Technology, \\ -Kyoto Institute of Technology, \\ -Matsugasaki, Sakyoku, Kyoto, 606 Japan -} -\date{\filedate} -\begin{document} - \maketitle - \DocInput{ccycle.dtx} -\end{document} -\endinput -%% -%% End of file `ccycle.drv'. diff --git a/Master/texmf-dist/source/latex/xymtex/ccycle.dtx b/Master/texmf-dist/source/latex/xymtex/ccycle.dtx deleted file mode 100644 index 7cc870485b6..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/ccycle.dtx +++ /dev/null @@ -1,3144 +0,0 @@ -% \iffalse meta-comment -%% File: ccycle.dtx -% -% Copyright 1993,1996,1998 by Shinsaku Fujita -% -% This file is part of XyMTeX system. -% ------------------------------------- -% -% This file is a successor to: -% -% ccycle.sty -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 1.00} -% \typeout{ -- Released December 1, 1993 by Shinsaku Fujita} -% Copyright (C) 1993 by Shinsaku Fujita, all rights reserved. -% -% This file is a part of the macro package ``XyMTeX'' which has been -% designed for typesetting chemical structural formulas. -% -% This file is to be contained in the ``xymtex'' directory which is -% an input directory for TeX. It is a LaTeX optional style file and -% should be used only within LaTeX, because several macros of the file -% are based on LaTeX commands. -% -% For the review of XyMTeX, see -% (1) Shinsaku Fujita, ``Typesetting structural formulas with the text -% formatter TeX/LaTeX'', Computers and Chemistry, in press. -% The following book deals with an application of TeX/LaTeX to -% preparation of manuscripts of chemical fields: -% (2) Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' -% Tokyo Kagaku Dozin, Tokyo (1993) [in Japanese]. -% -% Copying of this file is authorized only if either -% (1) you make absolutely no changes to your copy, including name and -% directory name; or -% (2) if you do make changes, -% (a) you name it something other than the names included in the -% ``xymtex'' directory and -% (b) you are requested to leave this notice intact. -% This restriction ensures that all standard styles are identical. -% -% Please report any bugs, comments, suggestions, etc. to: -% Shinsaku Fujita, -% Ashigara Research Laboratories, Fuji Photo Film Co., Ltd., -% Minami-Ashigara, Kanagawa-ken, 250-01, Japan. -% -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{ccycle} -% \def\versi@ndate{December 01, 1993} -% \def\versi@nno{ver1.00} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{ccycle} -% \def\versi@ndate{March 05, 1994} -% \def\versi@nno{ver1.01} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{ccycle} -% \def\versi@ndate{August 16, 1996} -% \def\versi@nno{ver1.01a} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{ccycle} -% \def\versi@ndate{October 31, 1998} -% \def\versi@nno{ver1.02} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% -% \fi -% -% \CheckSum{3793} -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -% -% \setcounter{StandardModuleDepth}{1} -% -% \StopEventually{} -% \MakeShortVerb{\|} -% -% \iffalse -% \changes{v1.01a}{1996/06/17}{first edition for LaTeX2e} -% \changes{v1.02}{1998/10/31}{revised edition for LaTeX2e} -% \changes{v2.00}{1998/12/25}{enhanced edition for LaTeX2e} -% \fi -% -% \iffalse -%<*driver> -\NeedsTeXFormat{pLaTeX2e} -% \fi -\ProvidesFile{ccycle.dtx}[1998/12/25 v2.00 XyMTeX{} package file] -% \iffalse -\documentclass{ltxdoc} -\GetFileInfo{ccycle.dtx} -% -% %%XyMTeX Logo: Definition 2%%% -\def\UPSILON{\char'7} -\def\XyM{X\kern-.30em\smash{% -\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}} -\def\XyMTeX{\XyM\kern-.1em\TeX} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\title{Further Cyclic Compounds by {\sffamily ccycle.sty} -(\fileversion) of \XyMTeX{}} -\author{Shinsaku Fujita \\ -Department of Chemistry and Materials Technology, \\ -Kyoto Institute of Technology, \\ -Matsugasaki, Sakyoku, Kyoto, 606 Japan -% % (old address) -% % Ashigara Research Laboratories, -% % Fuji Photo Film Co., Ltd., \\ -% % Minami-Ashigara, Kanagawa, 250-01 Japan -} -\date{\filedate} -% -\begin{document} - \maketitle - \DocInput{ccycle.dtx} -\end{document} -% -% \fi -% -% \section{Introduction}\label{ccycle:intro} -% -% \subsection{Options for {\sffamily docstrip}} -% -% \DeleteShortVerb{\|} -% \begin{center} -% \begin{tabular}{|l|l|} -% \hline -% \emph{option} & \emph{function}\\ \hline -% ccycle & ccycle.sty \\ -% driver & driver for this dtx file \\ -% \hline -% \end{tabular} -% \end{center} -% \MakeShortVerb{\|} -% -% \subsection{Version Information} -% -% \begin{macrocode} -%<*ccycle> -\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00} -\typeout{ -- Released December 25, 1998 by Shinsaku Fujita} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\def\j@urnalname{ccycle} -\def\versi@ndate{December 25, 1998} -\def\versi@nno{ver2.00} -\def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>% -\space[\copyrighth@lder]} -% \end{macrocode} -% -% \section{List of commands for ccycle.sty} -% -% \begin{verbatim} -% ******************************** -% * ccycle.sty: list of commands * -% ******************************** -% -% Setting of Bonds -% -% \@chaira (for cyclohexane chair) -% \@chairb -% \@chairc -% \@chaird -% \@chaire -% \@chairf -% -% \@borna (for bornanes) -% \@bornb -% \@bornc -% \@bornd -% \@borne -% \@bornf -% \@borng -% -% Basic Macros -% -% \chair \@chair -% \bicychepv \@bicychepv -% \bicycheph \@bicycheph -% \bornane \@bornane -% \adamantane \@damantane -% -% (Added March 05, 1994 by Shinsaku Fujita) -% Setting of Bonds -% -% \@chairia (for cyclohexane chair inversed) -% \@chairib \@chairic \@chairid -% \@chairie \@chairif -% -% Basic Macros -% -% \chairi \@chairi -% -% (Added June 16, 1996 by Shinsaku Fujita) -% Setting of Bonds -% -% \@chairiI (for horizontal-type adamantane) -% \@chairiII \@chairiIII \@chairiIV -% \@chairiV \@chairiVI \@chairiVII -% \@chairiVIII \@chairiIX \@chairiX -% -% Basic Macros -% -% \hadamantane \@hadamantane -% -% Macros for adjusting substitution sites (for Version 1.02) -% -% \ylchairposition -% \ylchairiposition -% \ylbornaneposition -% \yladamanposition -% \ylhadamanposition -% -% \end{verbatim} -% -% \section{Input of basic macros} -% -% To assure the compatibility to \LaTeX{}2.09 (the native mode), -% the commands added by \LaTeXe{} have not been used in the resulting sty -% files ({\sf ccycle.sty} for the present case). Hence, the combination -% of |\input| and |\@ifundefined| is used to crossload sty -% files ({\sf chemstr.sty} for the present case) in place of the -% |\RequirePackage| command of \LaTeXe{}. -% -% \begin{macrocode} -% ************************* -% * input of basic macros * -% ************************* -\@ifundefined{setsixringv}{\input chemstr.sty\relax}{} -\unitlength=0.1pt -% \end{macrocode} -% -% \section{Chair-form cyclohexanes} -% \subsection{Macros for setting substituents} -% -% Macros |\@chaira| to |\@chairf| are used to set substituents -% on each position of cyclohexane. Note that comments (conerning locant -% numbers) on the end of each row have lost the exact meaning, -% since such a command moiety is used in many macros after copying. -% -% \begin{macro}{\@chaira} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% ********************************************** -% * treatment of the chair form of cyclohexane * -% ********************************************** -% %%%%%%%%%%%%%%% -% % subst. on 1 % -% %%%%%%%%%%%%%%% -\def\@chaira{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10 - \yl@ydiff=10 - \put(0,0){\line(-1,1){120}}% single bond at 1 - \putlatom{-130}{110}{\@memberb}% left type - \else\if\@tmpc a%(a) axial - \yl@xdiff=42 - \yl@ydiff=-12 - \put(0,0){\line(0,1){168}}% single bond at 1 axial - \putlratom{-42}{180}{\@memberb}% left & right type - \else\if\@tmpc e%(e) beta - \yl@xdiff=16 - \yl@ydiff=44 - \put(0,0){\line(-5,-3){144}}% single bond at 1 equatorial - \putlatom{-160}{-130}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=10 - \yl@ydiff=10 - \put(-10,-10){\line(-1,1){120}}% double bond at 1 - \put(10,10){\line(-1,1){120}}% double bond at 1 - \putlatom{-130}{110}{\@memberb}% left type - \else% - \yl@xdiff=10 - \yl@ydiff=10 - \put(0,0){\line(-1,1){120}}% single bond at 1 - \putlatom{-130}{110}{\@memberb}% left type - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\@chairb} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 2 % -% %%%%%%%%%%%%%%% -\def\@chairb{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10 - \yl@ydiff=70 - \put(170,-226){\line(-1,-1){120}}% single bond at 2 - \putlatom{40}{-416}{\@memberb}% left type - \else\if\@tmpc a%(a) axial - \yl@xdiff=32 - \yl@ydiff=92 - \put(170,-226){\line(0,-1){168}}% single bond at 2 axial - \putlratom{138}{-486}{\@memberb}% left & right type - \else\if\@tmpc e%(e) beta - \yl@xdiff=16 - \yl@ydiff=34 - \put(170,-226){\line(-5,3){144}}% single bond at 2 equatorial - \putlatom{10}{-174}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=10 - \yl@ydiff=70 - \put(160,-216){\line(-1,-1){120}}% double bond at 2 - \put(180,-236){\line(-1,-1){120}}% double bond at 2 - \putlatom{40}{-416}{\@memberb}% left type - \else% - \yl@xdiff=10 - \yl@ydiff=70 - \put(170,-226){\line(-1,-1){120}}% single bond at 2 - \putlatom{40}{-416}{\@memberb}% left type - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\@chairc} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 3 % -% %%%%%%%%%%%%%%% -\def\@chairc{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10 - \yl@ydiff=24 - \put(573,-91){\line(5,4){170}}% single bond at 3 - \putratom{753}{21}{\@memberb}% right type - \else\if\@tmpc a%(a) axial - \yl@xdiff=40 - \yl@ydiff=-24 - \put(573,-91){\line(0,1){168}}% single bond at 3 axial - \putlratom{533}{101}{\@memberb}% left type - \else\if\@tmpc e%(e) beta - \yl@xdiff=-36 - \yl@ydiff=83 - \put(573,-91){\line(5,-3){144}}% single bond at 3 equatorial - \putlatom{753}{-260}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=0 - \yl@ydiff=0 - \put(563,-83){\line(5,4){170}}% double bond at 3 - \put(583,-99){\line(5,4){170}}% double bond at 3 - \putratom{733}{41}{\@memberb}% right type - \else% - \yl@xdiff=-10 - \yl@ydiff=24 - \put(573,-91){\line(5,4){170}}% single bond at 3 - \putratom{753}{21}{\@memberb}% right type - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\@chaird} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 4 % -% %%%%%%%%%%%%%%% -\def\@chaird{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10 - \yl@ydiff=70 - \put(843,-181){\line(1,-1){120}}% single bond at 4 - \putratom{953}{-371}{\@memberb}% right type - \else\if\@tmpc a%(a) axial - \yl@xdiff=42 - \yl@ydiff=91 - \put(843,-181){\line(0,-1){168}}% single bond at 4 axial - \putlratom{801}{-440}{\@memberb}% left & right type - \else\if\@tmpc e%(e) beta - \yl@xdiff=-16 - \yl@ydiff=16 - \put(843,-181){\line(5,3){144}}% single bond at 4 equatorial - \putratom{1003}{-111}{\@memberb}% right type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=10 - \yl@ydiff=70 - \put(833,-191){\line(1,-1){120}}% double bond at 4 - \put(853,-171){\line(1,-1){120}}% double bond at 4 - \putratom{953}{-371}{\@memberb}% right type - \else% - \yl@xdiff=10 - \yl@ydiff=70 - \put(843,-181){\line(1,-1){120}}% single bond at 4 - \putratom{953}{-371}{\@memberb}% right type - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\@chaire} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 5 % -% %%%%%%%%%%%%%%% -\def\@chaire{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10 - \yl@ydiff=10 - \put(673,46){\line(1,1){120}}% single bond at 5 - \putratom{803}{158}{\@memberb}% right type - \else\if\@tmpc a%(a) axial - \yl@xdiff=40 - \yl@ydiff=-24 - \put(673,46){\line(0,1){168}}% single bond at 5 axial - \putlratom{633}{238}{\@memberb}% left & right type - \else\if\@tmpc e%(e) beta - \yl@xdiff=-6 - \yl@ydiff=63 - \put(673,46){\line(5,-3){144}}% single bond at 5 equatorial - \putratom{823}{-103}{\@memberb}% right type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=-10 - \yl@ydiff=10 - \put(663,53){\line(1,1){120}}% double bond at 5 - \put(683,38){\line(1,1){120}}% double bond at 5 - \putratom{803}{158}{\@memberb}% right type - \else% - \yl@xdiff=-10 - \yl@ydiff=24 - \put(673,46){\line(5,4){170}}% single bond at 5 - \putratom{853}{158}{\@memberb}% right type - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\@chairf} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 6 % -% %%%%%%%%%%%%%%% -\def\@chairf{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=0 - \yl@ydiff=54 - \put(270,-90){\line(-5,-4){170}}% single bond at 2 - \putlatom{100}{-280}{\@memberb}% left type - \else\if\@tmpc a%(a) axial - \yl@xdiff=32 - \yl@ydiff=92 - \put(270,-90){\line(0,-1){168}}% single bond at 2 axial - \putlratom{238}{-350}{\@memberb}% left type - \else\if\@tmpc e%(e) beta - \yl@xdiff=26 - \yl@ydiff=-14 - \put(270,-90){\line(-5,3){144}}% single bond at 2 equatorial - \putratom{100}{18}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=0 - \yl@ydiff=54 - \put(260,-80){\line(-5,-4){170}}% double bond at 2 - \put(280,-100){\line(-5,-4){170}}% double bond at 2 - \putlatom{100}{-280}{\@memberb}% left or right type - \else% - \yl@xdiff=0 - \yl@ydiff=54 - \put(270,-90){\line(-5,-4){170}}% single bond at 2 - \putlatom{100}{-280}{\@memberb}% left type - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \subsection{Drawing of Chair-form cyclohexanes} -% -% The standard skeleton of a chair form of cyclohexane is selected -% to have the following locant numbers. -% -% \begin{verbatim} -% *************************** -% * cyclohexane derivatives * -% * (chair type) * -% *************************** -% The following numbering is adopted in this macro. -% -% 5 -% / 3 * -% 1 * 6 / * 4 -% * 2 -% -% \end{verbatim} -% -% The macro |\chair| has an argument |SUBSLIST| as well as an optional -% argument |BONDLIST|. -% -% \begin{verbatim} -% \chair[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one or more -% characters selected from a to f, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% \begin{verbatim} -% -% BONDLIST = -% -% none : cyclohexane -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,6-double bond -% f : 6,1-double bond -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents (max 12 substitution positions) -% -% for n = 1 to 6 -% -% nD : exocyclic double bond at n-atom -% nSa : axial single bond at n-atom -% nSe : equatorial single bond at n-atom -% -% \end{verbatim} -% -% Several examples are shown as follows. -% -% \begin{verbatim} -% \chair{1==Cl;2==F} -% \chair[a]{1==Cl;4==F;2==CH$_{3}$} -% \chair[eb]{1D==O;4Se==MeO;4Sa==OMe;5==Cl;6==Cl} -% \end{verbatim} -% -% The definition of |\@chair| uses a picture environment, in which -% bonds are put directly, while subsituents are typset by using -% the macros |\@chaira| to |\@chairf| described above. -% \changes{v1.02}{1998/10/31}{Adding \cs{ylchairposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\@chair} -% \begin{macro}{\chair} -% \begin{macrocode} -\def\chair{\@ifnextchar[{\@chair}{\@chair[r]}} -\def\@chair[#1]#2{% -\@reset@ylsw% -\ylchairposition{#2}% -\def\@@ylii{0}\def\@@yli{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) -\else - \begin{picture}(1600,800)(-400,-500) - \iforigpt \put(-400,-500){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `chair' origin: (0,0) ---> (400,500)} - \fi% -\fi -%skeletal bonds - \thicklines% - \put(0,0){\line(3,-4){170}}% % bond 1 to 2 - \put(170,-226){\line(3,1){403}}% % 2 to 3 - \put(573,-91){\line(3,-1){270}}% % 3 to 4 - \thinlines% - \put(843,-181){\line(-3,4){170}}% % 4 to 5 - \put(673,46){\line(-3,-1){403}}% % 5 to 6 - \put(0,0){\line(3,-1){270}}% % 1 to 6 -% inner double bonds -\@tfor\member:=#1\do{% -\if\member r%no endcyclic bonds -\else \if\member a% - \put(76,-42){\line(3,-4){110}}% % double bond 1 to 2 -\else \if\member b% - \put(200,-186){\line(3,1){343}}% % 2 to 3 -\else \if\member c% - \put(603,-70){\line(3,-1){190}}% % 3 to 4 -\else \if\member d% - \put(780,-141){\line(-3,4){110}}% % 4 to 5 -\else \if\member e% - \put(661,6){\line(-3,-1){343}}% % 5 to 6 -\else \if\member f% - \put(75,-50){\line(3,-1){170}}% % 1 to 6 -\fi\fi\fi\fi\fi\fi\fi}% -% setting substituents -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa%0 omit - \or\@chaira% subst. on 1 - \or\@chairb% subst. on 2 - \or\@chairc% subst. on 3 - \or\@chaird% subst. on 4 - \or\@chaire% subst. on 5 - \or\@chairf% subst. on 6 -\fi%end of ifcase -\fi\fi% -}\end{picture}}% %end of \chair macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The command |\ylchairposition| is to obtain the shift values -% |\@ylii| and |\@yli| which are used for shifting the standard -% point of a substituent. -% \changes{v1.02}{1998/10/23}{New ommands for setting substituents} -% -% \begin{macro}{\ylchairposition} -% \begin{macrocode} -\def\ylchairposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa%0 omit - \or\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1 - \or\gdef\@ylii{-170}\gdef\@yli{226}\global\@ylswtrue% subst. on 2 - \or\gdef\@ylii{-573}\gdef\@yli{91}\global\@ylswtrue% subst. on 3 - \or\gdef\@ylii{-843}\gdef\@yli{181}\global\@ylswtrue% subst. on 4 - \or\gdef\@ylii{-673}\gdef\@yli{-46}\global\@ylswtrue% subst. on 5 - \or\gdef\@ylii{-270}\gdef\@yli{90}\global\@ylswtrue% subst. on 6 -\fi%end of ifcase -\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% -% \section{Inverse chair-form cyclohexanes} -% \subsection{Macros for setting substituents} -% -% Macros |\@chairia| to |\@chairif| are used to set substituents -% on each position of cyclohexane. Note that they corresopond to -% the counterparts of chair-form cyclohexanes described above. -% -% \begin{macro}{\@chairia} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% ******************************************************** -% * treatment of the chair form (inverse) of cyclohexane * -% * added March 05, 1994 by Shinsaku Fujita * -% ******************************************************** -% %%%%%%%%%%%%%%% -% % subst. on 1 % -% %%%%%%%%%%%%%%% -\def\@chairia{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10 - \yl@ydiff=90 - \put(0,0){\line(-1,-1){120}}% single bond at 1 - \putlatom{-130}{-210}{\@memberb}% left type - \else\if\@tmpc a%(a) axial - \yl@xdiff=42 - \yl@ydiff=92 - \put(0,0){\line(0,-1){168}}% single bond at 1 axial - \putlratom{-42}{-260}{\@memberb}% left & right type - \else\if\@tmpc e%(e) beta - \yl@xdiff=16 - \yl@ydiff=36 - \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial - \putlatom{-160}{50}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=10 - \yl@ydiff=90 - \put(-10,10){\line(-1,-1){120}}% double bond at 1 - \put(10,-10){\line(-1,-1){120}}% double bond at 1 - \putlatom{-130}{-210}{\@memberb}% left type - \else% - \yl@xdiff=10 - \yl@ydiff=90 - \put(0,0){\line(-1,-1){120}}% single bond at 1 - \putlatom{-130}{-210}{\@memberb}% left type - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\@chairif} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 6 % -% %%%%%%%%%%%%%%% -\def\@chairif{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10 - \yl@ydiff=30 - \put(170,226){\line(-1,1){120}}% single bond at 6 - \putratom{40}{316}{\@memberb}% left type - \else\if\@tmpc a%(a) axial - \yl@xdiff=32 - \yl@ydiff=-12 - \put(170,226){\line(0,1){168}}% single bond at 6 axial - \putlratom{138}{406}{\@memberb}% left & right type - \else\if\@tmpc e%(e) beta - \yl@xdiff=16 - \yl@ydiff=46 - \put(170,226){\line(-5,-3){144}}% single bond at 6 equatorial - \putlatom{10}{94}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=10 - \yl@ydiff=30 - \put(160,216){\line(-1,1){120}}% double bond at 6 - \put(180,236){\line(-1,1){120}}% double bond at 6 - \putlatom{40}{316}{\@memberb}% left type - \else% - \yl@xdiff=10 - \yl@ydiff=30 - \put(170,226){\line(-1,1){120}}% single bond at 6 - \putlatom{40}{316}{\@memberb}% left type - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\@chairie} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 5 % -% %%%%%%%%%%%%%%% -\def\@chairie{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10 - \yl@ydiff=76 - \put(573,91){\line(5,-4){170}}% single bond at 5 - \putratom{753}{-101}{\@memberb}% right type - \else\if\@tmpc a%(a) axial - \yl@xdiff=40 - \yl@ydiff=104 - \put(573,91){\line(0,-1){168}}% single bond at 5 axial - \putlratom{533}{-181}{\@memberb}% left type - \else\if\@tmpc e%(e) beta - \yl@xdiff=-36 - \yl@ydiff=3 - \put(573,91){\line(5,3){144}}% single bond at 5 equatorial - \putlatom{753}{180}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=-10 - \yl@ydiff=96 - \put(563,83){\line(5,-4){170}}% double bond at 5 - \put(583,99){\line(5,-4){170}}% double bond at 5 - \putratom{733}{-141}{\@memberb}% right type - \else% - \yl@xdiff=-10 - \yl@ydiff=76 - \put(573,91){\line(5,-4){170}}% single bond at 5 - \putratom{753}{-121}{\@memberb}% right type - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\@chairid} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 4 % -% %%%%%%%%%%%%%%% -\def\@chairid{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10 - \yl@ydiff=30 - \put(843,181){\line(1,1){120}}% single bond at 4 - \putratom{953}{271}{\@memberb}% right type - \else\if\@tmpc a%(a) axial - \yl@xdiff=42 - \yl@ydiff=-11 - \put(843,181){\line(0,1){168}}% single bond at 4 axial - \putlratom{801}{360}{\@memberb}% left & right type - \else\if\@tmpc e%(e) beta - \yl@xdiff=-16 - \yl@ydiff=64 - \put(843,181){\line(5,-3){144}}% single bond at 4 equatorial - \putratom{1003}{31}{\@memberb}% right type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=10 - \yl@ydiff=30 - \put(833,191){\line(1,1){120}}% double bond at 4 - \put(853,171){\line(1,1){120}}% double bond at 4 - \putratom{953}{271}{\@memberb}% right type - \else% - \yl@xdiff=10 - \yl@ydiff=30 - \put(843,181){\line(1,1){120}}% single bond at 4 - \putratom{953}{271}{\@memberb}% right type - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\@chairic} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 3 % -% %%%%%%%%%%%%%%% -\def\@chairic{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10 - \yl@ydiff=92 - \put(673,-46){\line(1,-1){120}}% single bond at 3 - \putratom{803}{-258}{\@memberb}% right type - \else\if\@tmpc a%(a) axial - \yl@xdiff=40 - \yl@ydiff=110 - \put(673,-46){\line(0,-1){168}}% single bond at 3 axial - \putlratom{633}{-318}{\@memberb}% left & right type - \else\if\@tmpc e%(e) beta - \yl@xdiff=-6 - \yl@ydiff=17 - \put(673,-46){\line(5,3){144}}% single bond at 3 equatorial - \putratom{823}{23}{\@memberb}% right type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=-5 - \yl@ydiff=96 - \put(663,-53){\line(1,-1){120}}% double bond at 3 - \put(683,-38){\line(1,-1){120}}% double bond at 3 - \putratom{803}{-258}{\@memberb}% right type - \else% - \yl@xdiff=-10 - \yl@ydiff=76 - \put(673,-46){\line(5,-4){170}}% single bond at 3 - \putratom{853}{-258}{\@memberb}% right type - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\@chairib} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 2 % -% %%%%%%%%%%%%%%% -\def\@chairib{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=0 - \yl@ydiff=46 - \put(270,90){\line(-5,4){170}}% single bond at 2 - \putlatom{100}{180}{\@memberb}% left type - \else\if\@tmpc a%(a) axial - \yl@xdiff=32 - \yl@ydiff=-12 - \put(270,90){\line(0,1){168}}% single bond at 2 axial - \putlratom{238}{270}{\@memberb}% left type - \else\if\@tmpc e%(e) beta - \yl@xdiff=26 - \yl@ydiff=94 - \put(270,90){\line(-5,-3){144}}% single bond at 2 equatorial - \putratom{100}{-98}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=0 - \yl@ydiff=26 - \put(260,80){\line(-5,4){170}}% double bond at 2 - \put(280,100){\line(-5,4){170}}% double bond at 2 - \putlatom{100}{200}{\@memberb}% left or right type - \else% - \yl@xdiff=0 - \yl@ydiff=26 - \put(270,90){\line(-5,4){170}}% single bond at 2 - \putlatom{100}{200}{\@memberb}% left type - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \subsection{Drawing of inverse chair-form cyclohexanes} -% -% The standard skeleton of an inverse chair form of cyclohexane is selected -% to have the following locant numbers. -% -% \begin{verbatim} -% *************************** -% * cyclohexane derivatives * -% * (inverse chair type) * -% *************************** -% The following numbering is adopted in this macro. -% -% 6 4 -% * ` 5 * -% 1 * 2 * -% ` 3 -% -% \end{verbatim} -% -% The macro |\chairi| has an argument |SUBSLIST| as well as an optional -% argument |BONDLIST|. -% -% \begin{verbatim} -% \chairi[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one or more -% characters selected from a to f, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% \begin{verbatim} -% BONDLIST = -% -% none : cyclohexane -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,6-double bond -% f : 6,1-double bond -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents (max 8 substitution positions) -% -% for n = 1 to 6 -% -% nD : exocyclic double bond at n-atom -% nSa : axial single bond at n-atom -% nSe : equatorial single bond at n-atom -% -% \end{verbatim} -% -% Several examples are shown as follows. -% -% \begin{verbatim} -% e.g. -% -% \chairi[eb]{1D==O;4Se==MeO;4Sa==OMe;5==Cl;6==Cl} -% \end{verbatim} -% -% The definition of |\@chairi| uses a picture environment, in which -% bonds are put directly, while subsituents are typset by using -% the macros |\@chairia| to |\@chairif| described above. -% \changes{v1.02}{1998/10/31}{Adding \cs{ylchairiposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\@chairi} -% \begin{macro}{\chairi} -% \begin{macrocode} -\def\chairi{\@ifnextchar[{\@chairi}{\@chairi[r]}} -\def\@chairi[#1]#2{% -\@reset@ylsw% -\ylchairiposition{#2}% -\def\@@ylii{0}\def\@@yli{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) -\else - \begin{picture}(1600,800)(-400,-319) - \iforigpt \put(-400,-319){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `chairi' origin: (0,0) ---> (400,319)} - \fi% -\fi -% skeletal bonds - \thinlines% - \put(0,0){\line(3,4){170}}% % bond 1 to 6 - \put(170,226){\line(3,-1){403}}% % 6 to 5 - \put(573,91){\line(3,1){270}}% % 5 to 4 - \thicklines% - \put(843,181){\line(-3,-4){170}}% % 4 to 3 - \put(673,-46){\line(-3,1){403}}% % 3 to 2 - \put(0,0){\line(3,1){270}}% % 1 to 2 - \thinlines% -% inner double bonds -\@tfor\member:=#1\do{% -\if\member r%no endcyclic bonds -\else \if\member c%%%a% - \put(767,139){\line(-3,-4){110}}% % double bond 3 to 4 -\else \if\member b%%%d%%%b% - \put(640,-5){\line(-3,1){343}}% % 4 to 5 -\else \if\member a%%%e%%%%c% - \put(240,111){\line(-3,-1){190}}% % 5 to 6 -\else \if\member f%%%d% - \put(63,40){\line(3,4){110}}% % 6 to 7 -\else \if\member e%%%l% - \put(182,187){\line(3,-1){343}}% % 7 to 10 -\else \if\member d%%%k%%%f% - \put(768,131){\line(-3,-1){170}}% % 10 to 3 -\fi\fi\fi\fi\fi\fi\fi}% -% % -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa%0 omit - \or \@chairia% subst. on 1 - \or \@chairib% subst. on 2 - \or \@chairic% subst. on 3 - \or \@chairid% subst. on 4 - \or \@chairie% subst. on 5 - \or \@chairif% subst. on 6 -\fi %end of ifcase -\fi\fi% -}\end{picture}}% %end of \chairi macro -% End of addition 1994/03/05 SF -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The command |\ylchairiposition| is to obtain the shift values -% |\@ylii| and |\@yli| which are used for shifting the standard -% point of a substituent. -% \changes{v1.02}{1998/10/23}{New ommands for setting substituents} -% -% \begin{macro}{\ylchairiposition} -% \begin{macrocode} -\def\ylchairiposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa%0 omit - \or\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1 - \or\gdef\@ylii{-270}\gdef\@yli{-90}\global\@ylswtrue% subst. on 2 - \or\gdef\@ylii{-673}\gdef\@yli{46}\global\@ylswtrue% subst. on 3 - \or\gdef\@ylii{-843}\gdef\@yli{-181}\global\@ylswtrue% subst. on 4 - \or\gdef\@ylii{-573}\gdef\@yli{-91}\global\@ylswtrue% subst. on 5 - \or\gdef\@ylii{-170}\gdef\@yli{-226}\global\@ylswtrue% subst. on 6 -\fi%end of ifcase -\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% -% \section{Bicycloheptanes} -% \subsection{Drawing of a flat and vertical type} -% -% The flat-and-vertical-type skeleton of bicycloheptanes is selected -% to have the following locant numbers. -% -% \begin{verbatim} -% ************************************* -% * bicyclo[2.2.1]heptane derivatives * -% * (flat, vertical type) * -% ************************************* -% The following numbering is adopted in this macro. -% -% 1 -% * -% 6 * * 2 -% | 7 | -% | | -% 5 * * 3 -% * -% 4 <===== the original point -% \end{verbatim} -% -% The macro |\bicyclohepv| has an argument |SUBSLIST| as well as an optional -% argument |BONDLIST|. -% -% \begin{verbatim} -% \bicychepv[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one or more -% characters selected from a to f, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% In order to put dimethyl subsitutents on the top position (7), -% the character `7' is used in the |BONDLIST|. The delocalization -% of $\pi$-electron can be described with the character `A' written in -% the |BONDLIST|. -% \begin{verbatim} -% -% BONDLIST = -% -% none : bicyclo[2.2.1]heptane -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,6-double bond -% f : 6,1-double bond -% A : aromatic circle -% 7 : 7,7-dimethyl -% \end{verbatim} -% -% The |SUBSLIST| argument takes the standard format of \XyMTeX{}, in which -% more substitution descriptors are separated from each other -% by a semicolon. -% \begin{verbatim} -% -% SUBSLIST: list of substituents (max 12 substitution positions) -% -% for n = 1 to 7 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specifed) single bond at n-atom -% \end{verbatim} -% -% Several examples are shown as follows. -% -% \begin{verbatim} -% e.g. -% -% \bicychepv{1==Cl;2==F} -% \bicychepv[c]{1==Cl;4==F;2==CH$_{3}$} -% \bicychepv[eb]{1D==O;4==Me;5==Cl;6==Cl} -% \end{verbatim} -% -% The definition of |\@bicyclohepv| uses a picture environment, in which -% bonds are put directly, while subsituents are typset by using -% the macro |\setsixringv| defined in chemstr.sty of \XyMTeX{} system. -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\@bicyclohepv} -% \begin{macro}{\bicyclohepv} -% \begin{macrocode} -\def\bicychepv{\@ifnextchar[{\@bicychepv}{\@bicychepv[r]}} -\def\@bicychepv[#1]#2{% -\@reset@ylsw% -\ylposition{#2}{0}{0}{7}{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) -\else - \begin{picture}(800,880)(-400,-240) - \iforigpt \put(-400,-240){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `bicychepv' origin: (0,0) ---> (400,240)} -\fi - \fi% - \put(0,406){\line(-5,-3){171}}% %bond 1-6 - \put(0,406){\line(5,-3){171}}% %bond 1-2 - \put(0,0){\line(-5,3){171}}% %bond 4-5 - \put(0,0){\line(5,3){171}}% %bond 4-3 - \put(171,103){\line(0,1){200}}% %bond 3-2 - \put(-171,103){\line(0,1){200}}% %bond 5-6 -{\thicklines% - \put(0,0){\line(1,4){51}}% %bond 4-7 - \put(0,406){\line(1,-4){51}}}% %bond 1-7 -\@tfor\member:=#1\do{% -\if\member r%no endcyclic double bonds -\else \if\member a% - \put(6,364){\line(5,-3){126}}% %double bond 1-2 -\else \if\member b% - \put(138,129){\line(0,1){148}}% %double bond 3-2 -\else \if\member c% - \put(6,42){\line(5,3){126}}% %double bond 4-3 -\else \if\member d% - \put(-6,42){\line(-5,3){126}}% %double bond 4-5 -\else \if\member e% - \put(-138,129){\line(0,1){148}}% %double bond 5-6 -\else \if\member f% - \put(-6,364){\line(-5,-3){126}}% %double bond 1-6 -\else \if\member 7% - {\thicklines% - \put(51,204){\line(-1,0){70}}% %7,7-dimethyl - \put(51,204){\line(1,0){70}}}% -\else \if\member A%aromatic circle - \put(0,203){\circle{240}}% %circle -\fi\fi\fi\fi\fi\fi\fi\fi\fi}% -% % -\setsixringv{#2}{0}{0}{7}{0} -\end{picture}} %end of \bicychepv macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \subsection{Drawing of a flat and horizontal type} -% -% The flat-and-horizontal-type skeleton of bicycloheptanes is selected -% to have the following locant numbers. -% -% \begin{verbatim} -% ************************************* -% * bicyclo[2.2.1]heptane derivatives * -% * (flat, horizontal type) * -% ************************************* -% The following numbering is adopted in this macro. -% -% 2 3 -% ----- -% * * -% the original point ===> 1 * 7 * 4 -% (0,0) * * -% ----- -% 6 5 -% \end{verbatim} -% -% The macro |\bicycloheph| has an argument |SUBSLIST| as well as an optional -% argument |BONDLIST|. -% -% \begin{verbatim} -% \bicycheph[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one or more -% characters selected from a to f, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% In order to put dimethyl subsitutents on the top position (7), -% the character `7' is used in the |BONDLIST|. The delocalization -% of $\pi$-electron can be described with the character `A' written in -% the |BONDLIST|. -% \begin{verbatim} -% BONDLIST = -% -% none : bicyclo[2.2.1]heptane -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,6-double bond -% f : 6,1-double bond -% A : aromatic circle -% 7 : 7,7-dimethyl -% \end{verbatim} -% -% The |SUBSLIST| argument takes the standard format of \XyMTeX{}, in which -% more substitution descriptors are separated from each other -% by a semicolon. -% \begin{verbatim} -% -% SUBSLIST: list of substituents (max 8 substitution positions) -% -% for n = 1 to 6 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specifed) single bond at n-atom -% \end{verbatim} -% -% Several examples are shown as follows. -% -% \begin{verbatim} -% e.g. -% -% \bicycheph{1==Cl;2==F} -% \bicycheph[c]{1==Cl;4==F;2==CH$_{3}$} -% \bicycheph[eb]{1D==O;4==Me;5==Cl;6==Cl} -% \end{verbatim} -% -% The definition of |\@bicycloheph| uses a picture environment, in which -% bonds are put directly, while subsituents are typset by using -% the macro |\setsixringh| defined in chemstr.sty of \XyMTeX{} system. -% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\@bicycloheph} -% \begin{macro}{\bicycloheph} -% \begin{macrocode} -\def\bicycheph{\@ifnextchar[{\@bicycheph}{\@bicycheph[r]}} -\def\@bicycheph[#1]#2{% -\@reset@ylsw% -\ylpositionh{#2}{0}{0}{7}{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) -\else - \begin{picture}(880,800)(-240,-400) - \iforigpt \put(-240,-400){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `bicycheph' origin: (0,0) ---> (240,400)} - \fi% -\fi - \put(0,0){\line(3,5){103}} %bond 1-2 - \put(0,0){\line(3,-5){103}} %bond 1-6 - \put(406,0){\line(-3,5){103}} %bond 4-3 - \put(406,0){\line(-3,-5){103}} %bond 4-3 - \put(103,171){\line(1,0){200}} %bond 2-3 - \put(103,-171){\line(1,0){200}} %bond 6-5 -{\thicklines% - \put(0,0){\line(4,1){203}}% %bond 4-7 - \put(406,0){\line(-4,1){203}}}% %bond 1-7 -\@tfor\member:=#1\do{% -\if\member r%no endcyclic double bonds -\else \if\member a% - \put(42,6){\line(3,5){78}} %double bond 1-2 -\else \if\member b% - \put(129,138){\line(1,0){148}} %double bond 2-3 -\else \if\member c% - \put(364,6){\line(-3,5){78}} %double bond 4-3 -\else \if\member d% - \put(364,-6){\line(-3,-5){78}} %double bond 4-5 -\else \if\member e% - \put(129,-138){\line(1,0){148}} %double bond 6-5 -\else \if\member f% - \put(42,-6){\line(3,-5){78}} %double bond 1-6 -\else \if\member 7% - {\thicklines% - \put(204,51){\line(0,-1){70}}% %7,7-dimethyl - \put(204,51){\line(0,1){70}}}% -\else \if\member A%aromatic circle - \put(203,0){\circle{240}} %circle -\fi\fi\fi\fi\fi\fi\fi\fi\fi} -% % -\setsixringh{#2}{0}{0}{7}{0} -\end{picture}} %end of \bicycheph macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \subsection{Drawing of a stereo type} -% -% \subsubsection{Macros for setting substituents} -% -% Macros |\@borna| to |\@borng| are used to set substituents -% on each position of bornane. -% -% \begin{macro}{\@borna} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% *********************************************** -% * setting bonds and substituents for bornanes * -% * (bicycloe[2.2.1]heptane derivatives) * -% *********************************************** -% %%%%%%%%%%%%%%% -% % subst. on 1 % -% %%%%%%%%%%%%%%% -\def\@borna{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=8 - \yl@ydiff=3 - \put(318,247){\line(2,5){40}}% % single bond 1 - \putratom{350}{350}{\@memberb}% % right type - \else\if\@tmpc a%(a) alpha - \yl@xdiff=8 - \yl@ydiff=3 - \put(318,247){\line(2,5){40}}% % single bond 1 - \putratom{350}{350}{\@memberb}% % right type - \else\if\@tmpc b%(b) beta - \yl@xdiff=8 - \yl@ydiff=3 - \put(318,247){\line(2,5){40}}% % single bond 1 - \putratom{350}{350}{\@memberb}% % right type - \fi\fi\fi% - \else% - \yl@xdiff=8 - \yl@ydiff=3 - \put(318,247){\line(2,5){40}}% % single bond 1 - \putratom{350}{350}{\@memberb} % right type - \fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\@bornb} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 2 % -% %%%%%%%%%%%%%%% -\def\@bornb{% - \begin{picture}(200,200)(0,0) - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10 - \yl@ydiff=20 - \put(0,0){\line(5,2){160}}% - \putratom{170}{44}{\@memberb}% % left type - \else\if\@tmpc A%(A) alpha - \yl@xdiff=0 - \yl@ydiff=-5 - \putratom{140}{115}{\@memberb}% % right type - {% - \thicklines% - \put(0,0){\line(4,3){140}}% % endo (a) - }% - \else\if\@tmpc B%(B) beta - \yl@xdiff=10 - \yl@ydiff=30 - \putratom{150}{-86}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(0,0){\line(5,-2){140}}% % exo (b) - }{{\thicklines% - \dottedline{20}(0,0)(140,-56)}}% - \else\if\@tmpc a%(a) alpha - \yl@xdiff=10 - \yl@ydiff=30 - \put(0,0){\line(5,-2){140}}% % endo (a) - \putratom{150}{-86}{\@memberb}% % right type - \else\if\@tmpc b%(b) beta - \yl@xdiff=0 - \yl@ydiff=-10 - \put(0,0){\line(4,3){140}}% % exo (b) - \putratom{140}{115}{\@memberb}% % right type - \fi\fi\fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=-10 - \yl@ydiff=20 - \put(-10,-15){\line(5,2){160}}% - \put(-5,15){\line(5,2){160}}% - \putratom{170}{44}{\@memberb}% % right type - \else \if\@tmpb A%alpha single bond - \yl@xdiff=-10 - \yl@ydiff=20 - \putratom{170}{44}{\@memberb}% % right type - {% - \thicklines% - \put(0,0){\line(5,2){160}}% - }% - \else \if\@tmpb B%beta single bond - \yl@xdiff=-10 - \yl@ydiff=20 - \putratom{170}{44}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(0,0){\line(5,2){160}}% - }{{\thicklines% - \dottedline{20}(0,0)(160,64)}}% - \else% - \yl@xdiff=-10 - \yl@ydiff=20 - \put(0,0){\line(5,2){160}}% - \putratom{170}{44}{\@memberb}% % right type - \fi\fi\fi\fi\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\@bornc} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 3 % -% %%%%%%%%%%%%%%% -\def\@bornc{% - \begin{picture}(200,200)(0,0) - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10 - \yl@ydiff=30 - \put(0,0){\line(5,-2){140}}% - \putratom{150}{-86}{\@memberb}% % right type - \else\if\@tmpc A%(A) alpha - \yl@xdiff=-10 - \yl@ydiff=30 - \putratom{150}{26}{\@memberb}% % right type - {% - \thicklines% - \put(0,0){\line(5,2){140}}% % endo (a) - }% - \else\if\@tmpc B%(B) beta - \yl@xdiff=0 - \yl@ydiff=40 - \putratom{140}{-145}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(0,0){\line(4,-3){140}}% % exo (b) - }{{\thicklines% - \dottedline{20}(0,0)(140,-105)}}% - \else\if\@tmpc a%(a) alpha - \yl@xdiff=0 - \yl@ydiff=40 - \put(0,0){\line(4,-3){140}}% % endo (a) - \putratom{140}{-145}{\@memberb}% % right type - \else\if\@tmpc b%(b) beta - \yl@xdiff=-10 - \yl@ydiff=30 - \put(0,0){\line(5,2){140}}% % exo (b) - \putratom{150}{26}{\@memberb}% % right type - \fi\fi\fi\fi\fi - \else \if\@tmpb D%double bond - \yl@xdiff=10 - \yl@ydiff=50 - \put(10,15){\line(5,-2){160}}% - \put(5,-15){\line(5,-2){160}}% - \putratom{170}{-124}{\@memberb}% % right type - \else \if\@tmpb A%alpha single bond - \yl@xdiff=-10 - \yl@ydiff=30 - \putratom{150}{-86}{\@memberb}% % right type - {% - \thicklines% - \put(0,0){\line(5,-2){140}}% % endo (a) - }% - \else \if\@tmpb B%beta single bond - \yl@xdiff=-10 - \yl@ydiff=30 - \putratom{150}{-86}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(0,0){\line(5,-2){140}}% % exo (b) - }{{\thicklines% - \dottedline{20}(0,0)(140,-56)}}% - \else% - \yl@xdiff=-10 - \yl@ydiff=20 - \put(0,0){\line(5,2){160}}% - \putratom{170}{44}{\@memberb}% % right type - \fi\fi\fi\fi% -\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\@bornd} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 4 % -% %%%%%%%%%%%%%%% -\def\@bornd{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=30 - \yl@ydiff=87 - \put(237,47){\line(-2,-5){40}}% % single bond 4 - \putlratom{167}{-140}{\@memberb}% % left & right type - \else\if\@tmpc a%(a) alpha - \yl@xdiff=30 - \yl@ydiff=87 - \put(237,47){\line(-2,-5){40}}% % single bond 4 - \putlratom{167}{-140}{\@memberb}% % left & right type - \else\if\@tmpc b%(b) beta - \yl@xdiff=30 - \yl@ydiff=87 - \put(237,47){\line(-2,-5){40}}% % single bond 4 - \putlratom{167}{-140}{\@memberb}% % left & right type - \fi\fi\fi% - \else% - \yl@xdiff=30 - \yl@ydiff=87 - \put(237,47){\line(-2,-5){40}}% % single bond 4 - \putlratom{167}{-140}{\@memberb}% % left & right type - \fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\@borne} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 5 % -% %%%%%%%%%%%%%%% -\def\@borne{% - \begin{picture}(200,200)(0,0) - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10 - \yl@ydiff=30 - \put(0,0){\line(-5,-2){140}}% - \putlatom{-150}{-86}{\@memberb}% % left type - \else\if\@tmpc A%(A) alpha - \yl@xdiff=10 - \yl@ydiff=30 - \putlatom{-150}{26}{\@memberb}% % left type - {% - \thicklines% - \put(0,0){\line(-5,2){140}}% % endo (a) - }% - \else\if\@tmpc B%(B) beta - \yl@xdiff=0 - \yl@ydiff=40 - \putlatom{-140}{-145}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(0,0){\line(-4,-3){140}}% % exo (b) - }{{\thicklines% - \dottedline{20}(0,0)(-140,-105)}}% - \else\if\@tmpc a%(a) alpha - \yl@xdiff=0 - \yl@ydiff=30 - \put(0,0){\line(-4,-3){140}}% % endo (a) - \putlatom{-140}{-145}{\@memberb}% % left type - \else\if\@tmpc b%(b) beta - \yl@xdiff=10 - \yl@ydiff=30 - \put(0,0){\line(-5,2){140}}% % exo (b) - \putlatom{-150}{26}{\@memberb}% % left type - \fi\fi\fi\fi\fi - \else \if\@tmpb D%double bond - \yl@xdiff=0 - \yl@ydiff=64 - \put(-10,15){\line(-5,-2){160}}% - \put(-5,-15){\line(-5,-2){160}}% - \putlatom{-170}{-124}{\@memberb}% % left type - \else \if\@tmpb A%alpha single bond - \yl@xdiff=10 - \yl@ydiff=30 - \putlatom{-150}{-86}{\@memberb}% % left type - {% - \thicklines% - \put(0,0){\line(-5,-2){140}}% % endo (a) - }% - \else \if\@tmpb B%beta single bond - \yl@xdiff=10 - \yl@ydiff=30 - \putlatom{-150}{-86}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(0,0){\line(-5,-2){140}}% % exo (b) - }{{\thicklines% - \dottedline{20}(0,0)(-140,-56)}}% - \else% - \yl@xdiff=10 - \yl@ydiff=20 - \put(0,0){\line(-5,2){160}}% - \putlatom{-170}{44}{\@memberb}% % left type - \fi\fi\fi\fi% -\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\@bornf} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 6 % -% %%%%%%%%%%%%%%% -\def\@bornf{% - \begin{picture}(200,200)(0,0) - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10 - \yl@ydiff=30 - \put(0,0){\line(-5,2){160}}% - \putlatom{-170}{44}{\@memberb}% % left type - \else\if\@tmpc A%(A) alpha - \yl@xdiff=10 - \yl@ydiff=-10 - \putlatom{-140}{115}{\@memberb}% % left type - {% - \thicklines% - \put(0,0){\line(-4,3){140}}% % endo (a) - }% - \else\if\@tmpc B%(B) beta - \yl@xdiff=0 - \yl@ydiff=30 - \putlatom{-150}{-86}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(0,0){\line(-5,-2){140}}% % exo (b) - }{{\thicklines% - \dottedline{20}(0,0)(-140,-56)}}% - \else\if\@tmpc a%(a) alpha - \yl@xdiff=10 - \yl@ydiff=30 - \put(0,0){\line(-5,-2){140}}% % endo (a) - \putlatom{-150}{-86}{\@memberb}% % left type - \else\if\@tmpc b%(b) beta - \yl@xdiff=0 - \yl@ydiff=-10 - \put(0,0){\line(-4,3){140}}% % exo (b) - \putlatom{-140}{115}{\@memberb}% % left type - \fi\fi\fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=0 - \yl@ydiff=20 - \put(10,-15){\line(-5,2){160}}% - \put(5,15){\line(-5,2){160}}% - \putlatom{-170}{44}{\@memberb}% % left type - \else \if\@tmpb A%alpha single bond - \yl@xdiff=10 - \yl@ydiff=30 - \putlatom{-170}{44}{\@memberb}% % left type - {% - \thicklines% - \put(0,0){\line(-5,2){160}}% - }% - \else \if\@tmpb B%beta single bond - \yl@xdiff=10 - \yl@ydiff=30 - \putlatom{-170}{44}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(0,0){\line(-5,2){160}}% - }{{\thicklines% - \dottedline{20}(0,0)(-160,64)}}% - \else% - \yl@xdiff=10 - \yl@ydiff=20 - \put(0,0){\line(-5,2){160}}% - \putlatom{-170}{44}{\@memberb}% % left type - \fi\fi\fi\fi\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\@borng} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 7 % -% %%%%%%%%%%%%%%% -\def\@borng{% - \begin{picture}(200,200)(0,0) - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=40 - \yl@ydiff=-20 - \put(0,0){\line(0,1){160}}% - \putlratom{-40}{180}{\@memberb}% % left & right type - \else\if\@tmpc a%(a) left - \yl@xdiff=0 - \yl@ydiff=-10 - \put(0,0){\line(-4,3){140}}% % left (a) - \putlatom{-140}{115}{\@memberb}% % left type - \else\if\@tmpc b%(b) right - \yl@xdiff=0 - \yl@ydiff=-10 - \put(0,0){\line(4,3){140}}% % right (b) - \putratom{140}{115}{\@memberb}% % right type - \fi\fi\fi%\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=40 - \yl@ydiff=-20 - \put(-10,0){\line(0,1){160}}% - \put(10,0){\line(0,1){160}}% - \putlratom{-40}{180}{\@memberb}% % left & right type - \else% - \yl@xdiff=40 - \yl@ydiff=-20 - \put(0,0){\line(0,1){160}}% - \putlratom{-40}{180}{\@memberb}% % left & right type - \fi\fi\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \subsubsection{Drawing of borane derivatives} -% -% The stereo-type skeleton of bicycloheptanes is selected -% to have the following locant numbers. -% -% \begin{verbatim} -% *********************************************** -% * bornane derivatives * -% * (bicycloe[2.2.1]heptane derivatives) * -% *********************************************** -% The following numbering is adopted in this macro. -% -% 7 g -% f / ` -% _ / - 1_ a -% e 6 / h - 2 -% * / * -% 5 - 4 * b -% d c` 3 -% -% \end{verbatim} -% -% The macro |\bornane| has an argument |SUBSLIST| as well as an optional -% argument |BONDLIST|. -% -% \begin{verbatim} -% \bornane[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one or more -% characters selected from a to h, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% \begin{verbatim} -% -% BONDLIST = -% -% none : bicyclo[2.2.1]heptane -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,6-double bond -% f : 6,1-double bond -% g : 1,7-double bond -% h : 4,7-double bond -% \end{verbatim} -% -% The |SUBSLIST| argument takes the standard format of \XyMTeX{}, in which -% more substitution descriptors are separated from each other -% by a semicolon. -% \begin{verbatim} -% -% SUBSLIST: list of substituents (max 7 substitution positions) -% -% for n = 1 to 6 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha single bond at n-atom -% nSb : beta single bond at n-atom -% \end{verbatim} -% -% The 7-position of a bornane skeleton cannot be specified by -% capital characters `A' and `B'. -% \begin{verbatim} -% for n = 7 (bridge position) -% -% nD : exocyclic double bond at 7-atom -% n or nS : exocyclic single bond at 7-atom -% nSa : left single bond at 7-atom -% nSb : right single bond at 7-atom -% -% \end{verbatim} -% -% Several examples are shown as follows. -% -% \begin{verbatim} -% e.g. -% -% \bornane{1==N}{1==Cl;2==F} -% \bornane[c]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \bornane[eb]{1==N}{1D==O;4==MeO;5==Cl;6==Cl} -% \end{verbatim} -% -% The definition of |\@bicycloheph| uses a picture environment, in which -% bonds are put directly, while subsituents are typset by using -% the macro |\@borna| to |\@borng| defined in chemstr.sty of \XyMTeX{} -% system. -% -% \changes{v1.01b}{1998/10/08}{The drawing are of \cs{bornane} -% has been changed by SF.} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylbornaneposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\@bornane} -% \begin{macro}{\bornane} -% \begin{macrocode} - -\def\bornane{\@ifnextchar[{\@bornane}{\@bornane[r]}} -\def\@bornane[#1]#2{% -\@reset@ylsw% -\ylbornaneposition{#2}% -\def\@@ylii{0}\def\@@yli{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) -\else -% \begin{picture}(1400,1000)(-200,-240) - \begin{picture}(1000,1000)(-200,-240)%changed by SF 1998/09/26 - \iforigpt \put(-200,-240){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `bornane' origin: (0,0) ---> (200,240)} - \fi% -\fi -% skeletal bonds - \thicklines% - \put(0,0){\line(5,1){237}}% % bond 5 to 4 (d) - \put(237,47){\line(5,-2){225}}% % bond 4 to 3 (c) - \put(237,47){\line(0,1){400}}% % front part of bridge (h) - \thinlines% - \put(462,-43){\line(2,5){80}}% % bond 3 to 2 (b) - \put(543,157){\line(-5,2){225}}% % bond 2 to 1 (a) - \put(318,247){\line(-5,-1){237}}% % bond 1 to 6 (f) - \put(80,200){\line(-2,-5){80}}% % bond 6 to 5 (e) - \put(318,247){\line(-2,5){80}}% % back part of bridge (g) -% inner double bond -\@tfor\member:=#1\do{% -\if\member r%no endcyclic bonds -\else \if\member a%%%% - \put(513,127){\line(-5,2){180}}% % bond 2 to 1 -\else \if\member b%%%% - \put(446,-3){\line(2,5){60}}% % bond 3 to 2 -\else \if\member c%%%% - \put(267,77){\line(5,-2){180}}% % bond 4 to 3 -\else \if\member d%%%% - \put(40,42){\line(5,1){180}}% % double bond 5 to 4 -\else \if\member e%%% - \put(100,180){\line(-2,-5){60}}% % bond 6 to 5 -\else \if\member f% - \put(288,207){\line(-5,-1){180}}% % bond 1 to 6 -\else \if\member g% - \put(288,260){\line(-2,5){40}}% % back part of bridge (g) -\else \if\member h% - \put(257,77){\line(0,1){290}}% % front part of bridge (h) -\fi\fi\fi\fi\fi\fi\fi\fi\fi}% -% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa%0 omit - \or \@borna% subst. on 1 - \or \put(543,157){\@bornb}% subst. on 2 - \or \put(462,-43){\@bornc}% subst. on 3 - \or \@bornd% subst. on 4 - \or \put(0,0){\@borne}% subst. on 5 - \or \put(80,200){\@bornf}% subst. on 6 - \or \put(237,440){\@borng}% subst. on 7 -\fi%end of ifcase -\fi\fi% -}\end{picture}\iniatom\iniflag} %end of \bornane macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The command |\ylbornaneposition| is to obtain the shift values -% |\@ylii| and |\@yli| which are used for shifting the standard -% point of a substituent. -% \changes{v1.02}{1998/10/23}{New ommands for setting substituents} -% -% \begin{macro}{\ylbornaneposition} -% \begin{macrocode} -\def\ylbornaneposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa%0 omit - \or\gdef\@ylii{-318}\gdef\@yli{-247}\global\@ylswtrue% subst. on 1 - \or\gdef\@ylii{-543}\gdef\@yli{-157}\global\@ylswtrue% subst. on 2 - \or\gdef\@ylii{-462}\gdef\@yli{43}\global\@ylswtrue% subst. on 3 - \or\gdef\@ylii{-237}\gdef\@yli{-47}\global\@ylswtrue% subst. on 4 - \or\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 5 - \or\gdef\@ylii{-80}\gdef\@yli{-200}\global\@ylswtrue% subst. on 6 - \or\gdef\@ylii{-237}\gdef\@yli{-440}\global\@ylswtrue% subst. on 7 -\fi%end of ifcase -\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% -% \section{Adamantanes} -% -% \subsection{Vertical drawing} -% -% The macros |\@adamanea| to |\@adamanej| are used to -% set substituents on each edge of an adamantane skeleton -% drawn by the |\adamantane| commands. -% \changes{v1.02}{1998/10/24}{The macros \cs{@adamanea} to \cs{@adamanej} -% are separated from the original definition of \cs{adamantane}.} -% -% \begin{macro}{\@adamanea} -% \begin{macro}{\@adamaneb} -% \begin{macro}{\@adamanec} -% \begin{macro}{\@adamaned} -% \begin{macro}{\@adamanee} -% \begin{macro}{\@adamanef} -% \begin{macro}{\@adamaneg} -% \begin{macro}{\@adamaneh} -% \begin{macro}{\@adamanei} -% \begin{macro}{\@adamanej} -% \changes{v1.02}{1998/10/24}{A new command for setting substituents} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 1 % -% %%%%%%%%%%%%%%% -\def\@adamanea{% - \yl@xdiff=12 - \yl@ydiff=21 - \put(-360,720){\hbox to0pt{\hss \@memberb}}% %atom 1 - \if\@tmpb a% - \put(-240,660){\line(-4,3){108}}% %bond 1 - \else \ifx\@tmpb\empty% - \put(-240,660){\line(-4,3){108}}% %bond 1 - \fi\fi}% -% \end{macrocode} -% -% \changes{v1.02}{1998/10/24}{A new command for setting substituents} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 2 % -% %%%%%%%%%%%%%%% -\def\@adamaneb{% - \if\@tmpb a% - \yl@xdiff=6 - \yl@ydiff=-16 - \put(0,780){\line(1,4){26}}% %bond 2-ax - \put(20,900){\hbox to0pt{\@memberb \hss}}% %atom 2-ax - \else \if\@tmpb b% - \yl@xdiff=-6 - \yl@ydiff=-16 - \put(0,780){\line(-1,4){26}}% %bond 2-eq - \put(-20,900){\hbox to0pt{\hss \@memberb}}% %atom 2-eq - \else \ifx\@tmpb\empty% - \yl@xdiff=42 - \yl@ydiff=-22 - \put(-42,910){\hbox to0pt{\hss \@memberb}}% %atom 2 - \put(0,780){\line(0,1){108}}% %bond 2 - \else \if\@tmpb D% - \yl@xdiff=42 - \yl@ydiff=-22 - \putlratom{-42}{910}{\@memberb}% %atom 2 - \put(-12,780){\line(0,1){108}}% %double bond 2 - \put(12,780){\line(0,1){108}}% %double bond 2 - \fi\fi\fi\fi} -% \end{macrocode} -% -% \changes{v1.02}{1998/10/24}{A new command for setting substituents} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 3 % -% %%%%%%%%%%%%%%% -\def\@adamanec{% - \yl@xdiff=-12 - \yl@ydiff=21 - \put(360,720){\hbox to0pt{\@memberb \hss}}% %atom 3 -% \if\@tmpb S% - \if\@tmpb a%1998/10/24 by SF - \put(240,660){\line(4,3){108}}% %bond 3 - \else \ifx\@tmpb\empty% - \put(240,660){\line(4,3){108}}% %bond 3 - \fi\fi} -% \end{macrocode} -% -% \changes{v1.02}{1998/10/24}{A new command for setting substituents} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 4 % -% %%%%%%%%%%%%%%% -\def\@adamaned{% - \if\@tmpb a% - \yl@xdiff=-17 - \yl@ydiff=33 - \put(300,420){\line(4,-3){103}}% %bond 4-ax - \put(420,310){\hbox to0pt{\@memberb \hss}}% %atom 4-ax - \else \if\@tmpb b% - \yl@xdiff=26 - \yl@ydiff=-26 - \put(300,420){\line(1,4){26}}% %bond 4-eq - \put(300,540){\hbox to0pt{\@memberb \hss}}% %atom 4-eq - \else \ifx\@tmpb\empty% - \yl@xdiff=-17 - \yl@ydiff=33 - \put(300,420){\line(4,-3){103}}% %bond 4 - \put(420,310){\hbox to0pt{\@memberb \hss}}% %atom 4 - \else \if\@tmpb D% - \yl@xdiff=-17 - \yl@ydiff=33 - \put(296,432){\line(5,-3){103}}% %double bond 4 - \put(292,408){\line(5,-3){103}}% %double bond 4 - \put(420,310){\hbox to0pt{\@memberb \hss}}% %atom 4 - \fi\fi\fi\fi} -% \end{macrocode} -% -% \changes{v1.02}{1998/10/24}{A new command for setting substituents} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 5 % -% %%%%%%%%%%%%%%% -\def\@adamanee{% - \yl@xdiff=20 - \yl@ydiff=110 -% \if\@tmpb S% - \if\@tmpb a%1998/10/24 by SF - \put(60,240){\line(1,-5){30}}% %bond 5 - \put(70,-20){\hbox to0pt{\@memberb \hss}}% %atom 5 - \else \ifx\@tmpb\empty% - \put(60,240){\line(1,-5){30}}% %bond 5 - \put(70,-20){\hbox to0pt{\@memberb \hss}}% %atom 5 - \fi\fi} -% \end{macrocode} -% -% \changes{v1.02}{1998/10/24}{A new command for setting substituents} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 6 % -% %%%%%%%%%%%%%%% -\def\@adamanef{% - \if\@tmpb a% - \yl@xdiff=33 - \yl@ydiff=103 - \put(0,0){\line(4,-3){103}}% %bond 6-ax - \put(70,-180){\hbox to0pt{\@memberb \hss}}% %atom 6-ax - \else \if\@tmpb b% - \yl@xdiff=-33 - \yl@ydiff=103 - \put(0,0){\line(-4,-3){103}}% %bond 6-eq - \put(-70,-180){\hbox to0pt{\hss \@memberb}}% %atom 6-eq - \else \ifx\@tmpb\empty% - \yl@xdiff=22 - \yl@ydiff=94 - \put(0,0){\line(0,-1){108}}% %bond 6 - \put(-22,-202){\hbox to0pt{\hss \@memberb}}% %atom 6 - \else \if\@tmpb D% - \yl@xdiff=42 - \yl@ydiff=94 - \put(-12,0){\line(0,-1){108}}% %double bond 6 - \put(12,0){\line(0,-1){108}}% %double bond 6 - \putlratom{-42}{-202}{\@memberb}% %atom 6 - \fi\fi\fi\fi} -% \end{macrocode} -% -% \changes{v1.02}{1998/10/24}{A new command for setting substituents} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 7 % -% %%%%%%%%%%%%%%% -\def\@adamaneg{% - \yl@xdiff=-20 - \yl@ydiff=110 -% \if\@tmpb S% - \if\@tmpb a%1998/10/24 by SF - \put(-60,240){\line(-1,-5){30}}% %bond 7 - \put(-70,-20){\hbox to0pt{\hss \@memberb}}% %atom 7 - \else \ifx\@tmpb\empty% - \put(-60,240){\line(-1,-5){30}}% %bond 7 - \put(-70,-20){\hbox to0pt{\hss \@memberb}}% %atom 7-eq - \fi\fi} -% \end{macrocode} -% -% \changes{v1.02}{1998/10/24}{A new command for setting substituents} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 8 % -% %%%%%%%%%%%%%%% -\def\@adamaneh{% - \if\@tmpb a% - \yl@xdiff=17 - \yl@ydiff=33 - \put(-300,420){\line(-4,-3){103}}% %bond 8-ax - \put(-420,310){\hbox to0pt{\hss \@memberb}}% %atom 8-ax - \else \if\@tmpb b% - \yl@xdiff=-26 - \yl@ydiff=-16 - \put(-300,420){\line(-1,4){26}}% %bond 8-eq - \put(-300,540){\hbox to0pt{\hss \@memberb}}% %atom 8-eq - \else \ifx\@tmpb\empty% - \yl@xdiff=17 - \yl@ydiff=33 - \put(-300,420){\line(-4,-3){103}}% %bond 8 - \put(-420,310){\hbox to0pt{\hss \@memberb}}% %atom 8 - \else \if\@tmpb D% - \yl@xdiff=17 - \yl@ydiff=50 - \put(-300,432){\line(-5,-3){103}}% %double bond 8 - \put(-303,408){\line(-5,-3){103}}% %double bond 8 - \put(-420,310){\hbox to0pt{\hss \@memberb}}% %atom 8 - \fi\fi\fi\fi} -% \end{macrocode} -% -% \changes{v1.02}{1998/10/24}{A new command for setting substituents} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 9 % -% %%%%%%%%%%%%%%% -\def\@adamanei{% - \if\@tmpb a% - \yl@xdiff=-43 - \yl@ydiff=93 - \put(-180,420){\line(-4,-3){103}}% %bond 9-ax - \put(-240,250){\hbox to0pt{\hss \@memberb}}% %atom 9-ax - \else \if\@tmpb b% - \yl@xdiff=26 - \yl@ydiff=-16 - \put(-180,420){\line(1,4){26}}% %bond 9-eq - \put(-180,540){\hbox to0pt{\@memberb \hss}}% %atom 9-eq - \else \ifx\@tmpb\empty% - \yl@xdiff=17 - \yl@ydiff=93 - \put(-180,420){\line(-4,-3){103}}% %bond 9 - \put(-300,250){\hbox to0pt{\hss \@memberb}}% %atom 9 - \else \if\@tmpb D% - \yl@xdiff=17 - \yl@ydiff=113 - \put(-183,432){\line(-5,-3){103}}% %double bond 9 - \put(-180,408){\line(-5,-3){103}}% %double bond 9 - \put(-300,250){\hbox to0pt{\hss \@memberb}}% %atom 9 - \fi\fi\fi\fi} -% \end{macrocode} -% -% \changes{v1.02}{1998/10/24}{A new command for setting substituents} -% \begin{macrocode} -% %%%%%%%%%%%%%%%% -% % subst. on 10 % -% %%%%%%%%%%%%%%%% -\def\@adamanej{% - \if\@tmpb a% - \yl@xdiff=43 - \yl@ydiff=92 - \put(180,420){\line(4,-3){103}}% %bond 10-ax - \put(240,250){\hbox to0pt{\@memberb \hss}}% %atom 10-ax - \else \if\@tmpb b% - \yl@xdiff=-26 - \yl@ydiff=-16 - \put(180,420){\line(-1,4){26}}% %bond 10-eq - \put(180,540){\hbox to0pt{\hss \@memberb}}% %atom 10-eq - \else \ifx\@tmpb\empty% - \yl@xdiff=43 - \yl@ydiff=92 - \put(180,420){\line(4,-3){103}}% %bond 10 - \put(240,250){\hbox to0pt{\@memberb \hss}}% %atom 10 - \else \if\@tmpb D% - \yl@xdiff=3 - \yl@ydiff=112 - \put(176,432){\line(5,-3){103}}% %double bond 10 - \put(172,408){\line(5,-3){103}}% %double bond 10 - \put(280,250){\hbox to0pt{\@memberb \hss}}% %atom 10 - \fi\fi\fi\fi} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The stereo-type skeleton of adamantane is selected -% to have the following specification. The |\adamantane| -% command prints a vertical-type formula in which two bridge carbons -% are placed at the top and the bottom. -% -% \begin{verbatim} -% ************************************************* -% * For preparing adamantane derivatives * -% * with 4 substituents on bridgehead positions * -% * (1, 3, 5 and 7) * -% * with 12 substituents on bridge positions * -% * (2, 4, 6, 8, 9, 10) * -% ************************************************* -% \end{verbatim} -% -% The macro |\adamantane| has an argument |SUBSLIST| as well as an optional -% argument |BONDLIST|. -% -% \begin{verbatim} -% \adamantane[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The adamantane skeleton scarcely takes an inner (endcyclic) double bond. -% Hence we have -% \begin{verbatim} -% BONDLIST: not effective -% \end{verbatim} -% -% The |SUBSLIST| argument takes the standard format of \XyMTeX{}, in which -% more substitution descriptors are separated from each other -% by a semicolon. -% \begin{verbatim} -% -% SUBSLIST: list of substituents (max 10 substitution positions) -% -% for n = 1, 3, 5, and 7 (bridgeheads) -% -% n or na : exocyclic single bond at n-atom -% -% for n = 2, 4, 6, 8, 9, and 10 (bridges) -% -% na : exocyclic single bond at n-atom (axial) -% nb : exocyclic single bond at n-atom (equatorial) -% nD : exocyclic double bond at n-atom (2 and 6) -% -% \end{verbatim} -% -% For numbers larger than 9 (two digits), you should designate -% the |SUBSLIST| as, e.g., -% \begin{verbatim} -% {{10}a}==Cl; ... -% \end{verbatim} -% -% The definition of |\@adamantane| uses a picture environment, in which -% both bonds are substituents are put directly. -% \changes{v1.02}{1998/10/31}{Adding \cs{yladamanposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\@adamantane} -% \begin{macro}{\adamantane} -% \begin{macrocode} -% \changes{v1.02}{1998/10/24}{The macros \cs{@adamanea} to \cs{@adamanej} -% are separated from the original definition of \cs{adamantane}.} -\def\adamantane{\@ifnextchar[{\@mantane}{\@damantane[Z]}} -\def\@damantane[#1]#2{% -\@reset@ylsw% -\yladamanposition{#2}% -\def\@@ylii{0}\def\@@yli{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) -\else - \begin{picture}(1100,1300)(-550,-300) - \iforigpt \put(-550,-300){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `adamantane' origin: (0,0) ---> (550,300)} - \fi% -\fi -%bonds for an adamantane skeleton - \put(0,0){\line(-1,4){60}}% %bond 6-7 - \put(0,780){\line(2,-1){240}}% %bond 2-3 - \put(0,780){\line(-2,-1){240}}% %bond 2-1 - \put(-60,240){\line(-4,3){240}}% %bond 7-8 - \put(-300,420){\line(1,4){60}}% %bond 8-1 - \put(240,660){\line(-1,-4){60}}% %bond 3-10 - \put(-60,240){\line(4,3){240}}% %bond 10-7 -{\thicklines% - \put(300,420){\line(-1,4){60}}% %bond 4-3 - \put(-240,660){\line(1,-4){60}}% %bond 1-9 - \put(0,0){\line(1,4){60}}% %bond 6-5 - \put(60,240){\line(4,3){240}}% %bond 5-4 - \put(60,240){\line(-4,3){240}}% %bond 5-9 -}% -%substituents -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}\relax% -\ifx\@memberb\@yl\else -\ifcase\@tmpa%0 omit -\or\@adamanea% subst. on 1 -\or\@adamaneb% subst. on 2 -\or\@adamanec% subst. on 3 -\or\@adamaned% subst. on 4 -\or\@adamanee% subst. on 5 -\or\@adamanef% subst. on 6 -\or\@adamaneg% subst. on 7 -\or\@adamaneh% subst. on 8 -\or\@adamanei% subst. on 9 -\or\@adamanej% subst. on 10 -\fi%the end of ifcase -\fi\fi}% -\end{picture}} %end of \adamantane macro% -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The command |\yladamanposition| is to obtain the shift values -% |\@ylii| and |\@yli| which are used for shifting the standard -% point of a substituent. -% \changes{v1.02}{1998/10/23}{New commands for setting substituents} -% -% \begin{macro}{\yladamanposition} -% \begin{macrocode} -\def\yladamanposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa%0 omit - \or\gdef\@ylii{240}\gdef\@yli{-660}\global\@ylswtrue% subst. on 1 - \or\gdef\@ylii{0}\gdef\@yli{-780}\global\@ylswtrue% subst. on 2 - \or\gdef\@ylii{-240}\gdef\@yli{-660}\global\@ylswtrue% subst. on 3 - \or\gdef\@ylii{-300}\gdef\@yli{-420}\global\@ylswtrue% subst. on 4 - \or\gdef\@ylii{-60}\gdef\@yli{-240}\global\@ylswtrue% subst. on 5 - \or\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 6 - \or\gdef\@ylii{60}\gdef\@yli{-240}\global\@ylswtrue% subst. on 7 - \or\gdef\@ylii{300}\gdef\@yli{-420}\global\@ylswtrue% subst. on 8 - \or\gdef\@ylii{180}\gdef\@yli{-420}\global\@ylswtrue% subst. on 9 - \or\gdef\@ylii{-180}\gdef\@yli{-420}\global\@ylswtrue% subst. on 10 -\fi%end of ifcase -\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% -% \subsection{Horizontal drawing} -% -% The stereo-type skeleton of adamantane is selected -% to have the following specification. The |\hadamantane| -% command prints a horizontal-type formula in which one bridge-head carbon -% is put at the top position and a chair-form cyclohexane moiety is -% placed at the bottom position. -% -% \begin{verbatim} -% ******************************************** -% * adamantane derivatives (horizontal type) * -% ******************************************** -% The following numbering is adopted in this macro. -% -% 1 -% h // ` -% //i ` a -% 89 ` -% g|| 2 -% ||j | b -% f 7| l k 3 -% * | ` 10 * -% 6 * 5 * c -% e d` 4 -% \end{verbatim} -% -% \begin{verbatim} -% ************************************************* -% * For preparing adamantane derivatives * -% * with 4 substituents on bridgehead positions * -% * (1, 3, 5 and 7) * -% * with 12 substituents on bridge positions * -% * (2, 4, 6, 8, 9, 10) * -% ************************************************* -% \end{verbatim} -% -% The macro |\hadamantane| has an argument |SUBSLIST| as well as an optional -% argument |BONDLIST|. -% -% \begin{verbatim} -% \hadamantane[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The adamantane skeleton scarcely takes an inner (endcyclic) double bond. -% However, we can designate |BONDLIST|. (This point is different from the -% specification of the |\adamantane| command. -% -% \begin{verbatim} -% -% BONDLIST = -% -% none : adamantane skeleton -% a : 1,2-double bond -% b : 2,3-double bond -% c : 3,4-double bond -% d : 4,5-double bond -% e : 5,6-double bond -% f : 6,7-double bond -% g : 7,8-double bond -% h : 8,1-double bond -% i : 9,1-double bond -% j : 5,9-double bond -% k : 3,10-double bond -% l : 7,10-double bond -% -% \end{verbatim} -% -% The |SUBSLIST| argument takes the standard format of \XyMTeX{}, in which -% more substitution descriptors are separated from each other -% by a semicolon. -% \begin{verbatim} -% -% SUBSLIST: list of substituents (max 10 substitution positions) -% -% for n = 1, 3, 5, and 7 (bridgeheads) -% -% n or na : exocyclic single bond at n-atom -% -% for n = 2, 4, 6, 8, 9, and 10 (bridges) -% -% na : exocyclic single bond at n-atom (axial) -% nb : exocyclic single bond at n-atom (equatorial) -% nD : exocyclic double bond at n-atom (2 and 6) -% -% \end{verbatim} -% -% Moreover, bond modifieer used for chair-form cyclohexanes -% such as $n$Sa and $n$Se (see above) can be also used in the |SUBSLIST| -% of the |\hdadamantane| command. -% -% For numbers larger than 9 (two digits), you should designate -% the |SUBSLIST| as, e.g., -% \begin{verbatim} -% {{10}a}==Cl; ... -% \end{verbatim} -% -% The definition of |\@hadamantane| uses a picture environment, in which -% bonds are put directly, while subsituents are typset by using -% the macro |\@chairiI| to |\@chairX| defined below. -% \changes{v1.02}{1998/10/31}{Adding \cs{ylhadamanposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\@hadamantane} -% \begin{macro}{\hadamantane} -% \begin{macrocode} -% ************************* -% * input of basic macros * -% ************************* -\def\hadamantane{\@ifnextchar[{\@hadamantane}{\@hadamantane[H]}} -\def\@hadamantane[#1]#2{% -\@reset@ylsw% -\ylhadamanposition{#2}% -\def\@@ylii{0}\def\@@yli{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) -\else - \begin{picture}(1600,1400)(-400,-319) - \iforigpt \put(-400,-319){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `hadamantane' origin: (0,0) ---> (400,319)} - \fi% -\fi - \thinlines% - \put(0,0){\line(3,4){170}}% % bond 6 to 7 - \put(170,226){\line(3,-1){403}}% % 7 to 10 - \put(573,91){\line(3,1){270}}% % 10 to 3 -% %%% - \put(170,226){\line(0,1){360}}% % 7 to 8 - \put(170,586){\line(3,1){270}}% % 8 to 1 - \put(843,181){\line(0,1){360}}% % 3 to 2 - \put(843,541){\line(-3,1){403}}% % 2 to 1 - \thicklines% - \put(843,181){\line(-3,-4){170}}% % 3 to 4 - \put(673,-46){\line(-3,1){403}}% % 4 to 5 - \put(0,0){\line(3,1){270}}% % 6 to 5 -% %%% - \put(270,90){\line(0,1){360}}% % 5 to 9 - \put(270,450){\line(3,4){170}}% % 9 to 1 - \thinlines% -% inner double bonds -\@tfor\member:=#1\do{% -\if\member r%no endocyclic bonds -\else \if\member a% - \put(450,636){\line(3,-1){373}}% % double bond 1 to 2 -\else \if\member b% - \put(803,206){\line(0,1){320}}% % 3 to 2 -\else \if\member c%%%a% - \put(767,139){\line(-3,-4){110}}% % 3 to 4 -\else \if\member d%%%b% - \put(640,-5){\line(-3,1){343}}% % 4 to 5 -\else \if\member e%%%%c% - \put(240,111){\line(-3,-1){190}}% % 5 to 6 -\else \if\member f%%%d% - \put(63,40){\line(3,4){110}}% % 6 to 7 -\else \if\member g% - \put(200,246){\line(0,1){320}}% % 7 to 8 -\else \if\member h% - \put(400,626){\line(-3,-1){190}}% % 8 to 1 -\else \if\member i% - \put(450,636){\line(-3,-4){150}}% % 9 to 1 -\else \if\member j% - \put(300,110){\line(0,1){320}}% % 5 to 9 -\else \if\member k%%%f% - \put(768,131){\line(-3,-1){170}}% % 3 to 10 -\else \if\member l% - \put(182,187){\line(3,-1){343}}% % 7 to 10 -\fi\fi\fi\fi\fi\fi% -\fi\fi\fi\fi\fi\fi\fi}% -% % -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa% %0 omit - \or \put(440,676){\@chairiI}% %subst. on 1%%%9 - \or \put(843,541){\@chairiII}% %subst. on 2%%10 - \or \@chairiIII% %subst. on 3%%%4 - \or \@chairiIV% %subst. on 4%%%3 - \or \@chairiV% %subst. on 5%%%2 - \or \@chairiVI% %subst. on 6%%%1 - \or \@chairiVII% %subst. on 7%%%6 - \or \put(170,586){\@chairiVIII}%subst. on 8%%%8 - \or \put(270,450){\@chairiIX}% %subst. on 9%%%7 - \or \@chairiX% %subst. on 10%%5 -\fi %end of ifcase -\fi\fi% -}\end{picture}}% %end of \hadamantane macro -% End of addition 1994/03/05 SF -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The command |\ylhadamanposition| is to obtain the shift values -% |\@ylii| and |\@yli| which are used for shifting the standard -% point of a substituent. -% \changes{v1.02}{1998/10/23}{New commands for setting substituents} -% -% \begin{macro}{\ylhadamanposition} -% \begin{macrocode} -\def\ylhadamanposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa%0 omit - \or\gdef\@ylii{-440}\gdef\@yli{-676}\global\@ylswtrue% subst. on 1 - \or\gdef\@ylii{-843}\gdef\@yli{-541}\global\@ylswtrue% subst. on 2 - \or\gdef\@ylii{-843}\gdef\@yli{-181}\global\@ylswtrue% subst. on 3 - \or\gdef\@ylii{-673}\gdef\@yli{46}\global\@ylswtrue% subst. on 4 - \or\gdef\@ylii{-270}\gdef\@yli{-90}\global\@ylswtrue% subst. on 5 - \or\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 6 - \or\gdef\@ylii{-170}\gdef\@yli{-226}\global\@ylswtrue% subst. on 7 - \or\gdef\@ylii{-170}\gdef\@yli{-586}\global\@ylswtrue% subst. on 8 - \or\gdef\@ylii{-270}\gdef\@yli{-450}\global\@ylswtrue% subst. on 9 - \or\gdef\@ylii{-573}\gdef\@yli{-91}\global\@ylswtrue% subst. on 10 -\fi%end of ifcase -\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% -% Hereafter, the definitions of the commands |\@chairiI| to |\@chairiX| -% are described. Each of the commands can treat $n$a-type bond modifiers -% as well as $n$Sa-type bond modifiers. -% -% \begin{macro}{\@chairiVI} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% ******************************************************** -% * treatment of the chair form (inverse) of cyclohexane * -% * added March 05, 1994 by Shinsaku Fujita * -% ******************************************************** -% %%%%%%%%%%%%%%% -% % subst. on 6 % -% %%%%%%%%%%%%%%% -\def\@chairiVI{% - \if\@tmpb a%single bond - \yl@xdiff=42 - \yl@ydiff=92 - \put(0,0){\line(0,-1){168}}% single bond at 6 axial - \putlratom{-42}{-260}{\@memberb}% left & right type - \else\if\@tmpb b%single bond - \yl@xdiff=16 - \yl@ydiff=36 - \put(0,0){\line(-5,3){144}}% single bond at 6 equatorial - \putlatom{-160}{50}{\@memberb}% left type - \else\if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10 - \yl@ydiff=90 - \put(0,0){\line(-1,-1){120}}% single bond at 6 - \putlatom{-130}{-210}{\@memberb}% left type - \else\if\@tmpc a%(a) axial - \yl@xdiff=42 - \yl@ydiff=92 - \put(0,0){\line(0,-1){168}}% single bond at 6 axial - \putlratom{-42}{-260}{\@memberb}% left & right type - \else\if\@tmpc e%(e) beta - \yl@xdiff=16 - \yl@ydiff=36 - \put(0,0){\line(-5,3){144}}% single bond at 6 equatorial - \putlatom{-160}{50}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=10 - \yl@ydiff=90 - \putlatom{-130}{-210}{\@memberb}% left type - \put(-10,10){\line(-1,-1){120}}% double bond at 6 - \put(10,-10){\line(-1,-1){120}}% double bond at 6 - \else% - \yl@xdiff=10 - \yl@ydiff=90 - \putlatom{-130}{-210}{\@memberb}% left type - \put(0,0){\line(-1,-1){120}}% single bond at 6 - \fi\fi\fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\@chairiVII} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 7 % -% %%%%%%%%%%%%%%% -\def\@chairiVII{% - \if\@tmpb a%single bond - \yl@xdiff=26 - \yl@ydiff=46 - \put(170,226){\line(-5,-3){144}}% single bond at 7 equatorial - \putlatom{10}{94}{\@memberb}% left type - \else\ifx\@tmpb\empty%single bond - \yl@xdiff=26 - \yl@ydiff=46 - \put(170,226){\line(-5,-3){144}}% single bond at 7 equatorial - \putlatom{10}{94}{\@memberb}% left type - \else\if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10 - \yl@ydiff=30 - \put(170,226){\line(-1,1){120}}% single bond at 7 - \putratom{40}{316}{\@memberb}% left type - \else\if\@tmpc a%(a) axial - \yl@xdiff=32 - \yl@ydiff=12 - \put(170,226){\line(0,1){168}}% single bond at 7 axial - \putlratom{138}{406}{\@memberb}% left & right type - \else\if\@tmpc e%(e) beta - \yl@xdiff=26 - \yl@ydiff=46 - \put(170,226){\line(-5,-3){144}}% single bond at 7 equatorial - \putlatom{10}{94}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=10 - \yl@ydiff=30 - \putlatom{40}{316}{\@memberb}% left type - \put(160,216){\line(-1,1){120}}% double bond at 7 - \put(180,236){\line(-1,1){120}}% double bond at 7 - \else% - \yl@xdiff=10 - \yl@ydiff=30 - \putlatom{40}{316}{\@memberb}% left type - \put(170,226){\line(-1,1){120}}% single bond at 7 - \fi\fi\fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\@chairiX} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%%% -% % subst. on 10 % -% %%%%%%%%%%%%%%%% -\def\@chairiX{% - \if\@tmpb a%single bond - \yl@xdiff=40 - \yl@ydiff=104 - \put(573,91){\line(0,-1){168}}% single bond at 5 axial - \putlratom{533}{-181}{\@memberb}% left type - \else\if\@tmpb b%single bond - \yl@xdiff=-36 - \yl@ydiff=3 - \put(573,91){\line(5,3){144}}% single bond at 5 equatorial - \putlatom{753}{180}{\@memberb}% left type - \else\if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10 - \yl@ydiff=56 - \put(573,91){\line(5,-4){170}}% single bond at 5 - \putratom{753}{-101}{\@memberb}% right type - \else\if\@tmpc a%(a) axial - \yl@xdiff=40 - \yl@ydiff=104 - \put(573,91){\line(0,-1){168}}% single bond at 5 axial - \putlratom{533}{-181}{\@memberb}% left type - \else\if\@tmpc e%(e) beta - \yl@xdiff=-36 - \yl@ydiff=3 - \put(573,91){\line(5,3){144}}% single bond at 5 equatorial - \putlatom{753}{180}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=10 - \yl@ydiff=86 - \putratom{733}{-141}{\@memberb}% right type - \put(563,83){\line(5,-4){170}}% double bond at 5 - \put(583,99){\line(5,-4){170}}% double bond at 5 - \else% - \yl@xdiff=-10 - \yl@ydiff=76 - \put(573,91){\line(5,-4){170}}% single bond at 5 - \putratom{753}{-121}{\@memberb}% right type - \fi\fi\fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\@chairiIII} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 3 % -% %%%%%%%%%%%%%%% -\def\@chairiIII{% - \if\@tmpb a%single bond - \yl@xdiff=-16 - \yl@ydiff=64 - \put(843,181){\line(5,-3){144}}% single bond at 3 equatorial - \putratom{1003}{31}{\@memberb}% right type - \else\ifx\@tmpb\empty%single bond - \yl@xdiff=-16 - \yl@ydiff=64 - \put(843,181){\line(5,-3){144}}% single bond at 3 equatorial - \putratom{1003}{31}{\@memberb}% right type - \else\if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10 - \yl@ydiff=30 - \put(843,181){\line(1,1){120}}% single bond at 3 - \putratom{953}{271}{\@memberb}% right type - \else\if\@tmpc a%(a) axial - \yl@xdiff=42 - \yl@ydiff=11 - \put(843,181){\line(0,1){168}}% single bond at 3 axial - \putlratom{801}{360}{\@memberb}% left & right type - \else\if\@tmpc e%(e) beta - \yl@xdiff=-16 - \yl@ydiff=64 - \put(843,181){\line(5,-3){144}}% single bond at 3 equatorial - \putratom{1003}{31}{\@memberb}% right type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=0 - \yl@ydiff=30 - \putratom{953}{271}{\@memberb}% right type - \put(833,191){\line(1,1){120}}% double bond at 3 - \put(853,171){\line(1,1){120}}% double bond at 3 - \else% - \yl@xdiff=10 - \yl@ydiff=30 - \put(843,181){\line(1,1){120}}% single bond at 3 - \putratom{953}{271}{\@memberb}% right type - \fi\fi\fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\@chairiIV} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 4 % -% %%%%%%%%%%%%%%% -\def\@chairiIV{% - \if\@tmpb a%single bond - \yl@xdiff=40 - \yl@ydiff=104 - \put(673,-46){\line(0,-1){168}}% single bond at 4 axial - \putlratom{633}{-318}{\@memberb}% left & right type - \else\if\@tmpb b%single bond - \yl@xdiff=-6 - \yl@ydiff=17 - \put(673,-46){\line(5,3){144}}% single bond at 4 equatorial - \putratom{823}{23}{\@memberb}% right type - \else\if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10 - \yl@ydiff=92 - \put(673,-46){\line(1,-1){120}}% single bond at 4 - \putratom{803}{-258}{\@memberb}% right type - \else\if\@tmpc a%(a) axial - \yl@xdiff=40 - \yl@ydiff=104 - \put(673,-46){\line(0,-1){168}}% single bond at 4 axial - \putlratom{633}{-318}{\@memberb}% left & right type - \else\if\@tmpc e%(e) beta - \yl@xdiff=-6 - \yl@ydiff=17 - \put(673,-46){\line(5,3){144}}% single bond at 4 equatorial - \putratom{823}{23}{\@memberb}% right type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=-10 - \yl@ydiff=92 - \putratom{803}{-258}{\@memberb}% right type - \put(663,-53){\line(1,-1){120}}% double bond at 4 - \put(683,-38){\line(1,-1){120}}% double bond at 4 - \else% - \yl@xdiff=-10 - \yl@ydiff=76 - \put(673,-46){\line(5,-4){170}}% single bond at 4 - \putratom{853}{-258}{\@memberb}% right type - \fi\fi\fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\@chairiV} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 5 % -% %%%%%%%%%%%%%%% -\def\@chairiV{% - \if\@tmpb a%single bond - \yl@xdiff=26 - \yl@ydiff=102 - \put(270,90){\line(-5,-3){144}}% single bond at 5 equatorial - \putratom{100}{-98}{\@memberb}% left type - \else\ifx\@tmpb\empty%single bond - \yl@xdiff=26 - \yl@ydiff=102 - \put(270,90){\line(-5,-3){144}}% single bond at 5 equatorial - \putratom{100}{-98}{\@memberb}% left type - \else\if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=0 - \yl@ydiff=46 - \put(270,90){\line(-5,4){170}}% single bond at 5 - \putlatom{100}{180}{\@memberb}% left type - \else\if\@tmpc a%(a) axial - \yl@xdiff=32 - \yl@ydiff=12 - \put(270,90){\line(0,1){168}}% single bond at 5 axial - \putlratom{238}{270}{\@memberb}% left type - \else\if\@tmpc e%(e) beta - \yl@xdiff=36 - \yl@ydiff=102 - \put(270,90){\line(-5,-3){144}}% single bond at 5 equatorial - \putratom{100}{-98}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=0 - \yl@ydiff=36 - \putlatom{100}{200}{\@memberb}% left or right type - \put(260,80){\line(-5,4){170}}% double bond at 5 - \put(280,100){\line(-5,4){170}}% double bond at 5 - \else% - \yl@xdiff=0 - \yl@ydiff=26 - \putlatom{100}{200}{\@memberb}% left type - \put(270,90){\line(-5,4){170}}% single bond at 5 - \fi\fi\fi\fi}% -% \end{macrocode} -% \end{macro} -% -% -% \begin{macro}{\@chairiI} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 1 % -% %%%%%%%%%%%%%%% -\def\@chairiI{% - \if\@tmpb a%single bond - \yl@xdiff=42 - \yl@ydiff=-10 - \put(0,0){\line(0,1){168}}% single bond at 1 axial - \putlratom{-42}{178}{\@memberb}% left & right type - \else\ifx\@tmpb\empty% - \yl@xdiff=42 - \yl@ydiff=-10 - \put(0,0){\line(0,1){168}}% single bond at 1 axial - \putlratom{-42}{178}{\@memberb}% left & right type - \else\if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=42 - \yl@ydiff=-10 - \put(0,0){\line(0,1){168}}% single bond at 1 axial - \putlratom{-42}{178}{\@memberb}% left & right type - \else\if\@tmpc a%(a) axial - \yl@xdiff=42 - \yl@ydiff=-10 - \put(0,0){\line(0,1){168}}% single bond at 1 axial - \putlratom{-42}{178}{\@memberb}% left & right type - \else\if\@tmpc e%(e) beta - \yl@xdiff=42 - \yl@ydiff=-10 - \put(0,0){\line(0,1){168}}% single bond at 1 axial - \putlratom{-42}{178}{\@memberb}% left & right type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=42 - \yl@ydiff=-10 - \put(0,0){\line(0,1){168}}% single bond at 1 axial - \putlratom{-42}{178}{\@memberb}% left & right type - \else% - \yl@xdiff=42 - \yl@ydiff=-10 - \put(0,0){\line(0,1){168}}% single bond at 1 axial - \putlratom{-42}{178}{\@memberb}% left & right type - \fi\fi\fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\@chairiII} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%%% -% % subst. on 2 % -% %%%%%%%%%%%%%%%% -\def\@chairiII{% - \if\@tmpb a%single bond - \yl@xdiff=-10 - \yl@ydiff=13 - \put(0,0){\line(3,1){190}}% single bond at 6 equatorial - \putratom{200}{50}{\@memberb}% right type - \else\if\@tmpb b%single bond - \yl@xdiff=-10 - \yl@ydiff=0 - \put(0,0){\line(3,4){120}}% % bond 1 to 6 - \putratom{130}{160}{\@memberb}% left type - \else\if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10 - \yl@ydiff=-10 - \put(0,0){\line(1,1){120}}% single bond at 1 - \putratom{130}{130}{\@memberb}% left type - \else\if\@tmpc a%(a) axial - \yl@xdiff=-10 - \yl@ydiff=0 - \put(0,0){\line(3,4){120}}% % bond 1 to 6 - \putratom{130}{160}{\@memberb}% left type - \else\if\@tmpc e%(e) beta - \yl@xdiff=-10 - \yl@ydiff=13 - \put(0,0){\line(3,1){190}}% single bond at 6 equatorial - \putratom{200}{50}{\@memberb}% right type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=-10 - \yl@ydiff=-10 - \putratom{130}{130}{\@memberb}% left type - \put(-10,10){\line(1,1){120}}% double bond at 1 - \put(10,-10){\line(1,1){120}}% double bond at 1 - \else% - \yl@xdiff=-10 - \yl@ydiff=-10 - \putratom{130}{130}{\@memberb}% left type - \put(0,0){\line(1,1){120}}% single bond at 1 - \fi\fi\fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\@chairigVIII} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 8 % -% %%%%%%%%%%%%%%% -\def\@chairiVIII{% - \if\@tmpb a%single bond - \yl@xdiff=16 - \yl@ydiff=36 - \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial - \putlatom{-160}{50}{\@memberb}% left type - \else\if\@tmpb b%single bond - \yl@xdiff=-10 - \yl@ydiff=0 - \put(0,0){\line(3,4){120}}% % bond 1 to 6 - \putratom{130}{160}{\@memberb}% left type - \else\if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=4 - \yl@ydiff=36 - \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial - \putlatom{-140}{50}{\@memberb}% left type - \else\if\@tmpc e% right-hand - \yl@xdiff=-10 - \yl@ydiff=0 - \put(0,0){\line(3,4){120}}% % bond 1 to 6 - \putratom{130}{160}{\@memberb}% left type - \else\if\@tmpc a% left-hand - \yl@xdiff=16 - \yl@ydiff=36 - \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial - \putlatom{-160}{50}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=4 - \yl@ydiff=26 - \putlatom{-140}{60}{\@memberb}% left type - \put(10,10){\line(-5,3){144}}% single bond at 1 equatorial - \put(0,-10){\line(-5,3){144}}% single bond at 1 equatorial - \else% - \yl@xdiff=4 - \yl@ydiff=36 - \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial - \putlatom{-140}{50}{\@memberb}% left type - \fi\fi\fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\@chairiIX} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 9 % -% %%%%%%%%%%%%%%% -\def\@chairiIX{% - \if\@tmpb a%single bond - \yl@xdiff=16 - \yl@ydiff=36 - \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial - \putlatom{-160}{50}{\@memberb}% left type - \else\if\@tmpb b%single bond - \yl@xdiff=-16 - \yl@ydiff=36 - \put(0,0){\line(5,3){144}}% single bond at 6 equatorial - \putratom{160}{50}{\@memberb}% left type - \else\if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=4 - \yl@ydiff=36 - \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial - \putlatom{-140}{50}{\@memberb}% left type - \else\if\@tmpc e% right-hand - \yl@xdiff=-16 - \yl@ydiff=36 - \put(0,0){\line(5,3){144}}% single bond at 6 equatorial - \putratom{160}{50}{\@memberb}% left type - \else\if\@tmpc a% left-hand - \yl@xdiff=16 - \yl@ydiff=36 - \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial - \putlatom{-160}{50}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=4 - \yl@ydiff=36 - \putlatom{-140}{50}{\@memberb}% left type - \put(10,10){\line(-5,3){144}}% single bond at 1 equatorial - \put(0,-10){\line(-5,3){144}}% single bond at 1 equatorial - \else% - \yl@xdiff=4 - \yl@ydiff=36 - \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial - \putlatom{-140}{50}{\@memberb}% left type - \fi\fi\fi\fi}% -% -% \end{macrocode} -% \end{macro} -% -% \Finale -% -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/ccycle.ins b/Master/texmf-dist/source/latex/xymtex/ccycle.ins deleted file mode 100644 index 1603014bdae..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/ccycle.ins +++ /dev/null @@ -1,50 +0,0 @@ -\def\batchfile{ccycle.ins} -\input docstrip.tex -\preamble - -This is a generated file. - -Copyright 1996,1998 by Shinsaku Fujita - -This file is part of the XyMTeX system. -======================================= - -Version 1.01 Released on August 16, 1996 -Version 1.02 Released on October 31, 1996 -Version 2.00 Released on December 25, 1998 - -Copyright (C) 1996,1998 by Shinsaku Fujita, all rights reserved. -This style file is created for drawing chemical structural formulas -This style file is to be contained in the ``xymtex'' directory which -is an input directory for TeX. - -Copying of this file is authorized only if either - - (1) you make absolutely no changes to your copy, including name and - directory name - (2) if you do make changes, - (a) you name it something other than the names included in the - ``xymtex'' directory and - (b) you acknowledge the original name. - This restriction ensures that all standard styles are identical. - -======================================= - -This file contains several codes modified from latex.tex (LaTeX2.09) -and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -Copyright 1994 the LaTeX3 project and the individual authors (For further -copyright information see the file legal.txt of the LaTeX2e standard -distribution, and any other copyright indicated in this file.) - -\endpreamble - -\keepsilent - -\generateFile{ccycle.drv}{t}{% - \from{ccycle.dtx}{driver}} - -\generateFile{ccycle.sty}{t}{% - \from{ccycle.dtx}{ccycle}} - -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/chemist.drv b/Master/texmf-dist/source/latex/xymtex/chemist.drv deleted file mode 100644 index 1ad0e7b0143..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/chemist.drv +++ /dev/null @@ -1,89 +0,0 @@ -%% -%% This is file `chemist.drv', -%% generated with the docstrip utility. -%% -%% The original source files were: -%% -%% chemist.dtx (with options: `driver') -%% -%% This is a generated file. -%% -%% Copyright 1996, 2000 by Shinsaku Fujita -%% -%% This file is part of the ChemSci system. -%% ======================================= -%% -%% Released on June 1, 1996 -%% Released on November 3, 2000 (v2.00a) -%% -%% Copyright (C) 1996 by Shinsaku Fujita, all rights reserved. -%% This style file is created for submitting a manuscript to -%% scientific journals. This style file is to be contained in the -%% ``chemist'' directory which is an input directory for TeX. -%% -%% For using this file, see -%% Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' -%% Tokyo Kagaku Dojin, Tokyo (1993), Chapter 16. -%% -%% Copying of this file is authorized only if either -%% -%% (1) you make absolutely no changes to your copy, including name and -%% directory name -%% (2) if you do make changes, -%% (a) you name it something other than the names included in the -%% ``chemist'' directory and -%% (b) you acknowledge the original name. -%% This restriction ensures that all standard styles are identical. -%% -%% ======================================= -%% -%% This file is a modification of latex.tex (LaTeX2.09) and of latex.ltx -%% (a LaTeX2e), the reused parts of which is subject to -%% Copyright 1994 the LaTeX3 project and the individual authors (For further -%% copyright information see the file legal.txt of the LaTeX2e standard -%% distribution, and any other copyright indicated in this file.) -%% -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -%% -%% `chemist.dtx' ver1.01a (for LaTeX2e) 1996/06/15 -%% by Shinsaku Fujita -%% -\ProvidesFile{chemist.drv} - [2000/11/03 v2.00a - ChemSci package driver (English) - ] -\documentclass{ltxdoc} -\GetFileInfo{chemist.drv} -\title{Chemist Package \space\fileversion} -\author{Shinsaku Fujita \\ -Department of Chemistry and Materials Technology \\ -Kyoto Institute of Technology -%% Ashigara Research Laboratories \\ -%% Fuji Photo Film Co. Ltd. -} -\date{\filedate} -\begin{document} -\maketitle -\tableofcontents -\DocInput{chemist.dtx} -\end{document} -\def\versi@ndate{November 3, 2000} -\def\versi@nno{ver2.00a} -\def\copyrighth@lder{SF} % Shinsaku Fujita -\endinput -%% -%% End of file `chemist.drv'. diff --git a/Master/texmf-dist/source/latex/xymtex/chemist.dtx b/Master/texmf-dist/source/latex/xymtex/chemist.dtx deleted file mode 100644 index 9d37ff1334c..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/chemist.dtx +++ /dev/null @@ -1,2359 +0,0 @@ -% \iffalse -% -% chemist.dtx -% -% Copyright (C) 1996, 1999, 2000 by Shinsaku Fujita All rights reserved. -% -% This file is part of the ChemSci system -% ======================================== -% -% This style file is created for submitting a manuscript to -% scientific journals. This style file is to be contained in the -% ``chemist'' directory which is an input directory for TeX. -% -% For using this file, see -% Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' -% Tokyo Kagaku Dojin, Tokyo (1993), Chapter 16. -% -% Copying of this file is authorized only if either -% -% (1) you make absolutely no changes to your copy, including name and -% directory name -% (2) if you do make changes, -% (a) you name it something other than the names included in the -% ``chemist'' directory and -% (b) you acknowledge the original name. -% This restriction ensures that all standard styles are identical. -% -%======================================= -% -% This file is a modification of latex.tex (LaTeX2.09) and of latex.ltx -% (LaTeX2e), the reused parts of which is subject to -% Copyright 1994 the LaTeX3 project and the individual authors (For further -% copyright information see the file legal.txt of the LaTeX2e standard -% distribution, and any other copyright indicated in this file.) -% -%======================================= -% -% This file is a successor to: -% -% ********************************************************************* -% * chemist.sty by Shinsaku Fujita * -% * counters and related matters for compounds. * -% * ffboxit: November 2 1991 by S. Fujita * -% * bslskipchange: November 6 1991 by S. Fujita (deleted) * -% * chapinitial: 1991 November 7 by S. Fujita * -% * variable arrows: 1992 May 24 by S. Fujita * -% * reaction and scheme arrows (revised): 1992 May 24 by S. Fujita * -% * changespace <=== bslskipchange: Dec 31 1992 by S. Fujita * -% * (g)rshfboxit and (g)lshfboxit: January 3, 1993 by S. Fujita * -% ********************************************************************* -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Released on January 3, 1993 -% Copyright (C) 1993 by Shinsaku Fujita, all rights reserved. -% This style file is created for making manuscripts of chemical fields. -% This option style file is to be contained in the ``chemist'' directory -% which is an input directory for TeX. -% -% For using this file, see -% Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' -% Tokyo Kagaku Dojin, Tokyo (1993), Chapters 7, 9, 12 and 18. -% このスタイル・ファイルの使用法は、 -% 藤田 眞作 著　『化学者・生化学者のためのLaTeX』 -% 東京化学同人、東京 (1993)、第7, 9, 12, 18章をご覧下さい。 -% -% Copying of this file is authorized only if either -% (1) you make absolutely no changes to your copy, including name and -% directory name -% (2) if you do make changes, -% (a) you name it something other than the names included in the -% ``chemist'' directory and -% (b) you acknowledge the original name. -% This restriction ensures that all standard styles are identical. -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{chemist} -% \def\versi@ndate{January 03, 1993} -% \def\versi@nno{ver1.00} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% -% Version 1.01 -% --- added the end commands of the \verbatim environment and the -% \verb command contained in LaTeX 2.09 -% --- \LaTeX, \BibTeX logos etc improved -% \typeout{verbatim for LaTeX2.09 (and LaTeX2e) in chemist.sty} -% \typeout{logos for LaTeX2.09 (and LaTeX2e) in chemist.sty} -% \def\versi@ndate{April 20, 1996} -% \def\j@urnalname{chemist} -% \def\versi@ndate{April 20, 1996} -% \def\versi@nno{ver1.01} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{chemist} \def\journalID{chemist} -% \def\versi@ndate{June 15, 1996} -% \def\versi@nno{ver1.01a} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% \typeout{Package `\j@urnalname' (\versi@nno) <\versi@ndate>\space -% [\copyrighth@lder]} -% \typeout{chemist.sty ver1.01a (for LaTeX2e) 1996/06/15[SF]} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{chemist} \def\journalID{chemist} -% \def\versi@ndate{March 16, 1999} -% \def\versi@nno{ver2.00} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% -% -% \fi -% \CheckSum{3588} -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -% -% \iffalse -%% -%% `chemist.dtx' ver1.01a (for LaTeX2e) 1996/06/15 -%% by Shinsaku Fujita -%% -% -% \section{Initial declaration} -% -% \changes{v1.01a}{1996/06/15}{For LaTeX2e: dtx file} -% \changes{v1.01a}{1996/07/16}{Comment out for use LaTeX2.09} -% \changes{v2.00}{1999/03/16}{For XyMTeX 2.00 Enhanced Version} -% \changes{v2.00a}{2000/11/03}{Bug fix} -% -% \begin{macrocode} -% \NeedsTeXFormat{LaTeX2e} -% \end{macrocode} -% -% \begin{macrocode} -% \ProvidesFile{chemist.sty} -%\ProvidesFile{chemist.drv} -% [2000/11/03 v2.00a -% ChemSci package ] -% ChemSci package driver (English) -% \end{macrocode} -% -%\setcounter{StandardModuleDepth}{1} -% -% \section{Driver file for this dtx file} -% -% \changes{v1.0a}{1996/06/15}{first draft} -% \changes{v2.00a}{2000/11/05}{bug fix} -% -% \begin{macrocode} -%<*driver> - ] -\documentclass{ltxdoc} -\GetFileInfo{chemist.drv} -\title{Chemist Package \space\fileversion} -\author{Shinsaku Fujita \\ -Department of Chemistry and Materials Technology \\ -Kyoto Institute of Technology -%% Ashigara Research Laboratories \\ -%% Fuji Photo Film Co. Ltd. -} -\date{\filedate} -\begin{document} -\maketitle -\tableofcontents -\DocInput{chemist.dtx} -\end{document} -% -% \end{macrocode} -% -% \fi -% -% \StopEventually{} -% -% \section{{\sc docstrip} options} -% -% This dtx file provides the {\sffamily chemist} package -% by docstrip processing. -% -% \DeleteShortVerb{\|} -% \begin{center} -% \begin{tabular}{|l|l|} -% \hline -% argument & package name \\ -% \hline -% chemist & chemist.sty \\ -% driver & a documentation driver file \\ -% \hline -% \end{tabular} -% \end{center} -% \MakeShortVerb{\|} -% -% \section{Version information} -% -% The old process for typing out version information remains active. -% \begin{macrocode} -%\def\j@urnalname{chemist} \def\journalID{chemist} -\def\versi@ndate{November 3, 2000} -\def\versi@nno{ver2.00a} -\def\copyrighth@lder{SF} % Shinsaku Fujita -%<*chemist> -\typeout{Package `\j@urnalname' (\versi@nno) <\versi@ndate>\space -[\copyrighth@lder]} -\typeout{chemist.sty ver2.00a (for LaTeX2e) 2000/11/03[SF]} -% -% \end{macrocode} -% -% \section{Cross-references of compounds} -% -% The \textsf{compd} counter is introduced for numbering -% chemical compounds. -% -% \begin{macro}{\thecompd} -% \begin{macro}{\compd} -% \begin{macro}{\nocompd} -% -% The |\thecompd| command prints compound numbering without -% advancing the the \textsf{compd} counter. -% The |\compd| command prints compound numbering and advances -% the \textsf{compd} counter by one, while -% the |\nocompd| advances the \textsf{compd} counter by one -% without printing. -% \changes{v1.01a}{1996/06/22}{the unskip command was deleted.} -% -% \begin{macrocode} -%<*chemist> -% ******************* -% * compound label * -% * 1991 sept 29 * -% ******************* -% After Chapter 9 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -\@ifundefined{chapter}{\newcounter{compd}}{\newcounter{compd}[chapter]} -\def\thecompd{\arabic{compd}} -%\def\compd{\refstepcounter{compd}\unskip{\large\bf \thecompd}} -\def\compd{\leavevmode\refstepcounter{compd}{\large\bf \thecompd}} -\def\nocompd{\refstepcounter{compd}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\compdlabel} -% \begin{macro}{\nocompdlabel} -% \begin{macro}{\cref} -% -% The cross-reference of compound numbers are conducted by using -% |\label| and |\ref| commands. Alternative commands are also available -% as follows. -% \begin{macrocode} -\def\compdlabel#1{\compd \label{#1}} -\def\nocompdlabel#1{\nocompd \label{#1}} -\@ifundefined{bf}{\def\bf{\normalfont\bfseries}}{} -\def\cref#1{{\bf \ref{#1}}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\compdfbox} -% \begin{macro}{\compdmbox} -% \begin{macro}{\lbcompdpbox} -% -% For takeing a space for compound output, we can use |\compdfbox| -% and like. -% -% \begin{macrocode} -\def\compdfbox#1#2#3{\framebox[#1]{\rule[-0.3mm]{0pt}{#2} #3 }} -\def\compdmbox#1#2#3{\makebox[#1]{\rule[-0.3mm]{0pt}{#2} #3 }} -\def\lbcompdpbox#1#2#3{\parbox{#2}{\vskip 2em - \parbox{#2}{#3 \par \centering{\compdlabel{#1}}\vskip 2em }}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The \textsf{deriv} counter is introduced for numbering -% derivatives of a compound. -% \changes{v1.01a}{1996/06/22}{the unskip command was deleted.} -% \changes{v2.00}{1999/03/17}{derivnum added} -% -% \begin{macro}{\thederiv} -% \begin{macro}{\deriv} -% \begin{macro}{\noderiv} -% \begin{macro}{\derivnum} -% -% \begin{macrocode} -% ******************** -% * deriv label * -% * 1991 oct 01 * -% ******************** -% After Chapter 9 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -\newcounter{deriv}[compd] -\def\thederiv {\thecompd\alph{deriv}} -%\def\deriv{\refstepcounter{deriv}\unskip{\large\bf \thederiv}} -\def\deriv{\leavevmode\refstepcounter{deriv}{\large\bf \thederiv}} -\def\noderiv{\refstepcounter{deriv}} -\def\derivnum{% -\leavevmode\refstepcounter{deriv}{\large\bf \alph{deriv}}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\derivlabel} -% \begin{macro}{\noderivlabel} -% -% The cross-reference of derivative numbers are conducted by using -% |\label| and |\ref| commands. -% Alternative commands are also available as follows. -% \begin{macrocode} -\def\derivlabel#1{\deriv \label{#1}} -\def\noderivlabel#1{\noderiv \label{#1}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\derivfbox} -% \begin{macro}{\derivmbox} -% \begin{macro}{\lbderivpbox} -% -% For takeing a space for placing a derivative, we can use |\compdfbox| -% and like. -% -% \begin{macrocode} -\def\derivfbox#1#2#3{\framebox[#1]{\rule[-0.3mm]{0pt}{#2} #3 }} -\def\derivmbox#1#2#3{\makebox[#1]{\rule[-0.3mm]{0pt}{#2} #3 }} -\def\lbderivpbox#1#2#3{\parbox{#2}{\vskip 2em - \parbox{#2}{#3 \par \centering{\derivlabel{#1}}\vskip 2em }}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\deriva} -% \begin{macro}{\noderiva} -% \begin{macro}{\derivalabel} -% \begin{macro}{\noderivalabel} -% -% The \textsf{deriv} counter is also advanced by |\deriva| command and like. -% This command produced the net output of the \textsf{deriv} counter. -% \changes{v1.01a}{1996/06/22}{the unskip command was deleted.} -% \begin{macrocode} -% ******************** -% * deriva label * -% * 1991 oct 05 * -% ******************** -% After Chapter 9 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -%\def\deriva{\refstepcounter{deriv}\unskip{\large\bf \alph{deriv}}} -\def\deriva{\leavevmode\refstepcounter{deriv}{\large\bf \alph{deriv}}} -\def\noderiva{\refstepcounter{deriv}} -\def\derivalabel#1{\deriva \label{#1}} -\def\noderivalabel#1{\noderiva \label{#1}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \section{Boxes for placing compounds} -% -% \begin{macro}{\cdonecell} -% \begin{macro}{\cdtwocell} -% -% These boxes with a given width are used for printing chemical compounds. -% A box provided by |\cdonecell| is used for accomodating a compound. -% A box provided by |\cdtwocell| is devied into two vertical cells -% where the one is to place a compound and the other to place -% the compound number. -% \begin{macrocode} -% ******************** -% * cdonecell label * -% * 1991 oct 04 * -% ******************** -% After Chapter 9 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -\def\cdonecell#1#2#3{\raisebox{#1}{\parbox{#2}{\centering{#3}}}} -% #1 ue, #2 haba, #3 honbun -\def\cdtwocell#1#2#3#4{\raisebox{#1}{ - \parbox{#2}{\centering{#3} \par \vskip 3pt \centering{#4} }}} -% #1 ue, #2 haba, #3 ue honbun, #4 shita label -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \section{Arrows} -% -% \subsection{Arrows with variable length} -% -% \begin{macro}{\leftrightarrowfill} -% \begin{macro}{\Leftarrowfill} -% \begin{macro}{\Rightarrowfill} -% \begin{macro}{\Leftrightarrowfill} -% -% LaTeX{} are possessed of |\leftarrowfill| and |\rightarrowfill| for -% drawing arrows with variable length. The {\sffamily chemist} -% package defines other arrows with variable length for drawing -% chemical equations or schemes. -% -% \begin{macrocode} -% ******************* -% * variable arrows * 1992 May 24 S. Fujita -% ******************* -% After Chapter 9 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -\def\leftrightarrowfill{$\m@th \mathord\leftarrow \mkern-6mu - \cleaders\hbox{$\mkern-2mu \mathord- \mkern-2mu$}\hfill - \mkern-6mu \mathord\rightarrow$} -\def\Leftarrowfill{$\m@th \mathord\Leftarrow \mkern-6mu - \cleaders\hbox{$\mkern-2mu \mathord= \mkern-2mu$}\hfill - \mkern-6mu \mathord=$} -\def\Rightarrowfill{$\m@th \mathord= \mkern-6mu - \cleaders\hbox{$\mkern-2mu \mathord= \mkern-2mu$}\hfill - \mkern-6mu \mathord\Rightarrow$} -\def\Leftrightarrowfill{$\m@th \mathord\Leftarrow \mkern-6mu - \cleaders\hbox{$\mkern-2mu \mathord= \mkern-2mu$}\hfill - \mkern-6mu \mathord\Rightarrow$} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \subsection{Reaction arrows with variable length} -% -% \begin{macro}{\reactrarrow} -% \begin{macro}{\reactlarrow} -% \begin{macro}{\reactlrarrow} -% \begin{macro}{\reacteqarrow} -% -% The {\sffamily chemist} package defines arrows with variable length -% for drawing chemical equations, where additional information -% can be written on the upper and/or downward sides of each arrow. -% \changes{v2.00}{1999/02/02}{Vertical spacing changed} -% \changes{v2.00}{1999/03/16}{Horizontal shift} -% \begin{macrocode} -% ******************* 1991 Oct 4 S. Fujita -% * reaction arrows * Revised 1992 May 24 S.Fujita%1999/02/02 SF -% ******************* -% After Chapter 9 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -% -% #1 yoko #2 ue, #3 haba, #4 ya no ue, #5 ya no shita -% -\def\reactrarrow{\@ifnextchar[{\react@rarrow}{\react@rarrow[0pt]}} -\def\react@rarrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{% - \parbox{#3}{\centering - \baselineskip=.8\normalbaselineskip #4 \par - \vskip-0.2\normalbaselineskip - \rightarrowfill \par - \vskip-0.1\normalbaselineskip #5}}} -\def\reactlarrow{\@ifnextchar[{\react@larrow}{\react@larrow[0pt]}} -\def\react@larrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{% - \parbox{#3}{\centering - \baselineskip=.8\normalbaselineskip #4 \par - \vskip-0.2\normalbaselineskip - \leftarrowfill \par - \vskip-0.1\normalbaselineskip #5}}} -\def\reactlrarrow{\@ifnextchar[{\react@lrarrow}{\react@lrarrow[0pt]}} -\def\react@lrarrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{% - \parbox{#3}{\centering - \baselineskip=.8\normalbaselineskip - #4 \par - \vskip-0.2\normalbaselineskip - \centering{\leftrightarrowfill} \par - \vskip-0.1\normalbaselineskip #5}}} -\def\reacteqarrow{\@ifnextchar[{\react@eqarrow}{\react@eqarrow[0pt]}} -\def\react@eqarrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{% - \parbox{#3}{\centering - \baselineskip=.8\normalbaselineskip - #4 \par - \vskip-0.2\normalbaselineskip - \rightarrowfill \par \vskip-0.55\normalbaselineskip% - \leftarrowfill \par - \vskip-0.1\normalbaselineskip #5}}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\k@nz@n} -% The |\k@nz@n| command is used for changing a dimension to a -% parameter for the \LaTeX{} picture environment. -% \begin{macrocode} -\def\k@nz@n#1{\@tempdima=#1\relax -\@tempcnta=\@tempdima \@tempcntb=\unitlength -\divide\@tempcnta by \@tempcntb -\edef\kanzanchi{\the\@tempcnta}% -\divide\@tempcnta by2\relax -\edef\kanzanhalf{\the\@tempcnta}} -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\reactdarrow} -% \begin{macro}{\reactuarrow} -% \begin{macro}{\reactveqarrow} -% \begin{macro}{\reactduarrow} -% Vertical reaction arrows has been added. -% \changes{v2.00}{1999/02/02}{New commands} -% \begin{macrocode} -\def\reactdarrow{\@ifnextchar[{\react@darrow}{\react@darrow[0pt]}} -\def\react@darrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{\k@nz@n{#3}% -\def\arraystretch{0.8}% -\begin{tabular}{l}#4\end{tabular}% -{\tabcolsep=0pt -\begin{tabular}{c}\begin{picture}(0,\kanzanchi)(0,0) -\put(0,\kanzanchi){\vector(0,-1){\kanzanchi}} -\end{picture}\end{tabular}}% -\begin{tabular}{l}#5\end{tabular}}} -% -\def\reactuarrow{\@ifnextchar[{\react@uarrow}{\react@uarrow[0pt]}} -\def\react@uarrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{\k@nz@n{#3}% -\def\arraystretch{0.8}% -\begin{tabular}{l}#4\end{tabular}% -{\tabcolsep=0pt -\begin{tabular}{c}\begin{picture}(0,\kanzanchi)(0,0) -\put(0,0){\vector(0,1){\kanzanchi}} -\end{picture}\end{tabular}}% -\begin{tabular}{l}#5\end{tabular}}} -% -\def\reactveqarrow{\@ifnextchar[%] -{\react@veqarrow}{\react@veqarrow[0pt]}} -\def\react@veqarrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{\k@nz@n{#3}% -\def\arraystretch{0.8}% -\begin{tabular}{l}#4\end{tabular}% -{\tabcolsep=0pt -\begin{tabular}{c}\begin{picture}(40,\kanzanchi)(0,0) -\put(40,0){\vector(0,1){\kanzanchi}} -\put(0,\kanzanchi){\vector(0,-1){\kanzanchi}} -\end{picture}\end{tabular}}% -\begin{tabular}{l}#5\end{tabular}}} -% -\def\reactduarrow{\@ifnextchar[{\react@duarrow}{\react@duarrow[0pt]}} -\def\react@duarrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{\k@nz@n{#3}% -\def\arraystretch{0.8}% -\begin{tabular}{l}#4\end{tabular}% -{\tabcolsep=0pt -\begin{tabular}{c}\begin{picture}(0,\kanzanchi)(0,0) -\put(0,\kanzanhalf){\vector(0,1){\kanzanhalf}} -\put(0,\kanzanhalf){\vector(0,-1){\kanzanhalf}} -\end{picture}\end{tabular}}% -\begin{tabular}{l}#5\end{tabular}}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\reactswarrow} -% \begin{macro}{\reactsearrow} -% \begin{macro}{\reactnwrarrow} -% \begin{macro}{\reactnearrow} -% Further reaction arrows have been added. -% \changes{v2.00}{1999/02/02}{New commands} -% \changes{v2.00}{2000/06/14}{Bug Fix: exchanged sw -- se and nw --ne} -% \begin{macrocode} -\def\reactsearrow{\@ifnextchar[{\react@searrow}{\react@searrow[0pt]}} -\def\react@searrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{\k@nz@n{#3}% -\def\arraystretch{0.8}% -\begin{picture}(\kanzanchi,\kanzanchi)(0,0) -\put(0,\kanzanchi){\vector(1,-1){\kanzanchi}} -\put(\kanzanhalf,\kanzanhalf){\hbox to0pt{% -\begin{tabular}[b]{l}#4\end{tabular}\hss}} -\put(\kanzanhalf,\kanzanhalf){\lower2ex\hbox to0pt{\hss -\begin{tabular}[t]{r}#5\end{tabular}}} -\end{picture}}} -% -\def\reactnwarrow{\@ifnextchar[{\react@nwarrow}{\react@nwarrow[0pt]}} -\def\react@nwarrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{\k@nz@n{#3}% -\def\arraystretch{0.8}% -\begin{picture}(\kanzanchi,\kanzanchi)(0,0) -\put(\kanzanchi,0){\vector(-1,1){\kanzanchi}} -\put(\kanzanhalf,\kanzanhalf){\hbox to0pt{% -\begin{tabular}[b]{l}#4\end{tabular}\hss}} -\put(\kanzanhalf,\kanzanhalf){\lower2ex\hbox to0pt{\hss -\begin{tabular}[t]{r}#5\end{tabular}}} -\end{picture}}} -% -\def\reactnearrow{\@ifnextchar[{\react@nearrow}{\react@nearrow[0pt]}} -\def\react@nearrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{\k@nz@n{#3}% -\def\arraystretch{0.8}% -\begin{picture}(\kanzanchi,\kanzanchi)(0,0) -\put(0,0){\vector(1,1){\kanzanchi}} -\put(\kanzanhalf,\kanzanhalf){\lower2ex\hbox to0pt{% -\begin{tabular}[t]{l}#5\end{tabular}\hss}} -\put(\kanzanhalf,\kanzanhalf){\hbox to0pt{\hss -\begin{tabular}[b]{r}#4\end{tabular}}} -\end{picture}}} -% -\def\reactswarrow{\@ifnextchar[{\react@swarrow}{\react@swarrow[0pt]}} -\def\react@swarrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{\k@nz@n{#3}% -\def\arraystretch{0.8}% -\begin{picture}(\kanzanchi,\kanzanchi)(0,0) -\put(\kanzanchi,\kanzanchi){\vector(-1,-1){\kanzanchi}} -\put(\kanzanhalf,\kanzanhalf){\lower2ex\hbox to0pt{% -\begin{tabular}[t]{l}#5\end{tabular}\hss}} -\put(\kanzanhalf,\kanzanhalf){\hbox to0pt{\hss -\begin{tabular}[b]{r}#4\end{tabular}}} -\end{picture}}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\reactdeqarrow} -% \begin{macro}{\reactueqarrow} -% \begin{macro}{\reactdlrarrow} -% \begin{macro}{\reactulrarrow} -% Further reaction arrows have been added. -% \changes{v2.00}{1999/02/02}{New commands} -% \begin{macrocode} -\def\reactdeqarrow{\@ifnextchar[%] -{\react@deqarrow}{\react@deqarrow[0pt]}} -\def\react@deqarrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{\k@nz@n{#3}% -\def\arraystretch{0.8}% -\begin{picture}(\kanzanchi,\kanzanchi)(0,0) -\put(0,\kanzanchi){\put(15,15){\vector(1,-1){\kanzanchi}}} -\put(\kanzanchi,0){\put(-15,-15){\vector(-1,1){\kanzanchi}}} -\put(\kanzanhalf,\kanzanhalf){\raise1ex\hbox to0pt{% -\begin{tabular}[b]{l}#4\end{tabular}\hss}} -\put(\kanzanhalf,\kanzanhalf){\lower2ex\hbox to0pt{\hss -\begin{tabular}[t]{r}#5\end{tabular}}} -\end{picture}}} -\def\reactueqarrow{\@ifnextchar[%] -{\react@ueqarrow}{\react@ueqarrow[0pt]}} -\def\react@ueqarrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{\k@nz@n{#3}% -\def\arraystretch{0.8}% -\begin{picture}(\kanzanchi,\kanzanchi)(0,0) -\put(0,0){\put(-15,15){\vector(1,1){\kanzanchi}}} -\put(\kanzanchi,\kanzanchi){\put(15,-15){\vector(-1,-1){\kanzanchi}}} -\put(\kanzanhalf,\kanzanhalf){\lower2ex\hbox to0pt{% -\begin{tabular}[t]{l}#5\end{tabular}\hss}} -\put(\kanzanhalf,\kanzanhalf){\raise1ex\hbox to0pt{\hss -\begin{tabular}[b]{r}#4\end{tabular}}} -\end{picture}}} -\def\reactulrarrow{\@ifnextchar[%] -{\react@ulrarrow}{\react@ulrarrow[0pt]}} -\def\react@ulrarrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{\k@nz@n{#3}% -\def\arraystretch{0.8}% -\begin{picture}(\kanzanchi,\kanzanchi)(0,0) -\put(\kanzanhalf,\kanzanhalf){\vector(1,1){\kanzanhalf}} -\put(\kanzanhalf,\kanzanhalf){\vector(-1,-1){\kanzanhalf}} -\put(\kanzanhalf,\kanzanhalf){\lower2ex\hbox to0pt{% -\begin{tabular}[t]{l}#5\end{tabular}\hss}} -\put(\kanzanhalf,\kanzanhalf){\raise1ex\hbox to0pt{\hss -\begin{tabular}[b]{r}#4\end{tabular}}} -\end{picture}}} -\def\reactdlrarrow{\@ifnextchar[%] -{\react@dlrarrow}{\react@dlrarrow[0pt]}} -\def\react@dlrarrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{\k@nz@n{#3}% -\def\arraystretch{0.8}% -\begin{picture}(\kanzanchi,\kanzanchi)(0,0) -\put(\kanzanhalf,\kanzanhalf){\vector(-1,1){\kanzanhalf}} -\put(\kanzanhalf,\kanzanhalf){\vector(1,-1){\kanzanhalf}} -\put(\kanzanhalf,\kanzanhalf){\hbox to0pt{% -\begin{tabular}[b]{l}#4\end{tabular}\hss}} -\put(\kanzanhalf,\kanzanhalf){\lower2ex\hbox to0pt{\hss -\begin{tabular}[t]{r}#5\end{tabular}}} -\end{picture}}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\schemelarrow} -% \begin{macro}{\schemerarrow} -% \begin{macro}{\schemelrarrow} -% -% The {\sffamily chemist} package defines double-line arrows with variable -% length for drawing reaction schemes, where additional information -% can be written on the upper and/or downward sides of each arrow. -% \changes{v2.00}{1999/02/02}{Vertical spacing changed} -% \begin{macrocode} -% ******************************** -% * scheme arrows * -% * 1991 OCT 4 S. Fujita * -% * Revised 1992 May 24 S.Fujita * 1999/02/02 by S. Fujita -% ******************************** -% After Chapter 9 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -\def\schemelarrow#1#2#3#4{\raisebox{#1}{% - \parbox{#2}{\centering - \baselineskip=.8\normalbaselineskip #3 \par - \vskip-0.2\normalbaselineskip - \centering{\Leftarrowfill} \par - \vskip-0.1\normalbaselineskip #4}}} -\def\schemerarrow#1#2#3#4{\raisebox{#1}{% - \parbox{#2}{\centering - \baselineskip=.8\normalbaselineskip #3 \par - \vskip-0.2\normalbaselineskip - \centering{\Rightarrowfill} \par - \vskip-0.1\normalbaselineskip #4}}} -\def\schemelrarrow#1#2#3#4{\raisebox{#1}{% - \parbox{#2}{\centering - \baselineskip=.8\normalbaselineskip #3 \par - \vskip-0.2\normalbaselineskip - \centering{\Leftrightarrowfill} \par - \vskip-0.1\normalbaselineskip #4}}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\changespace} -% -% The |\changespace| command is used to change a vertical space -% between lines. -% \begin{macrocode} -% ************************* -% * Changing line spacing * -% ************************* -% After Chapter 3 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -\def\changespace#1{\def\baselinestretch{#1} \@normalsize} -% \end{macrocode} -% \end{macro} -% -% \begin{macrocode} -% %%%%%%%%%%1991 November 6%%%\bslskipchange%%%%%%%%%% -% \newenvironment{bslskipchange}[1]% -% {\par\begingroup\global\baselineskip= #1\normalbaselineskip}% -% {\endgroup\par\global\baselineskip=\normalbaselineskip% -% \global\@ignoretrue} -% \end{macrocode} -% -% \section{Captions} -% \subsection{Changing caption types within a float} -% \changes{v1.00}{1993/06/17}{by S. Fujita} -% -% \begin{macro}{\tbcaption} -% \begin{macro}{\fgcaption} -% \begin{macro}{\smcaption} -% -% These commands enable us to place two or more floats of -% different kinds in a single floating body. -% -% \begin{center} -% \begin{tabular}{lp{5cm}} -% \verb/\tbcaption[TCAP]{CAP}/ & -% makes a table caption in a float other than ``table'' or -% after using \verb/\fgcaption/ or \verb/\smcaption/ command. \\ -% \verb/\fgcaption[TCAP]{CAP}/ & -% makes a figure caption in a float other than ``figure'' or -% after using \verb/\tbcaption/ or \verb/\smcaption/ command. \\ -% \verb/\smcaption[TCAP]{CAP}/ & -% makes a scheme caption in a float other than ``scheme'' or -% after using \verb/\tbcaption/ or \verb/\fgcaption/ command. \\ -% \end{tabular} -% \end{center} -% -% For exmaple, we have -% -% \begin{verbatim} -% \begin{figure} -% \caption{aaa} % 通常のキャプション。 -% \tbcaption{bbb} % 表のキャプションの強制的に変更。 -% \fgcaption[ccc]{ddd} %図のキャプションに戻す。 -% \end{figure} -% \end{verbatim} -% -% \begin{macrocode} -\def\tbcaption{\def\@captype{table}\caption} -\def\fgcaption{\def\@captype{figure}\caption} -\def\smcaption{\def\@captype{scheme}\caption} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\chapinitial} -% -% \begin{macrocode} -% ***************** -% * miscellaneous * -% ***************** -%%%%%%%%%%%1991 November 7%%%chapinitial%%%%%%%%%%%%% -\def\chap@initial#1% -{\medbreak\begingroup\clubpenalty=10000 - \def\par{\endgraf\endgroup\medbreak} - \noindent\hangindent28pt\hangafter=-2 -\hbox to0pt{\hskip-\hangindent -\hbox to28pt{\hss\raise-4pt\hbox{\lower3pt\hbox{\Huge\bf #1}} } -} \hskip-5pt plus2pt minus2pt} -\outer\def\chapinitial{\chap@initial} -% \end{macrocode} -% \end{macro} -% -% \section{Redefinition of verbatim} -% -% \begin{macro}{\yen} -% -% The {\sffamily chemist} package uses a customaized defintion of |\yen| for -% printing the top symbol of each command sequence. -% \begin{macrocode} -% ************ -% * ￥の定義 * -% ************ -% % ￥ %%%%%from ascmac.sty%%%%added \leavevmode%%%%%%%%%%%%%%%% -%\def\yen{\leavevmode{\setbox0=\hbox{Y}Y\kern-.97\wd0\vbox{% -% \hrule\@height.1ex\@width.98\wd0% -% \kern.33ex\hrule\@height.1ex\@width.98\wd0\kern.45ex}}} -% -\def\yen{\leavevmode\hbox{\setbox0=\hbox{Y}% -\setbox1=\vbox{\hrule height.05\ht0 width.96\wd0% -\kern.18\ht0\hrule height.05\ht0 width.96\wd0}% -\setbox1=\hbox to\wd0{\raise.3\ht0\box1\hss}% -{\ooalign{\hfil\box1\hfil\crcr\box0}}}} -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\ifverbswitch} -% \begin{macro}{\verb} -% -% The switch |\ifverbswitch| is used for changing |\yen| or -% |\backslash| for the top symbol of each control sequence -% printed by the |\verb| command. -% -% \begin{macrocode} -% ************************** -% * ￥を含んだverbatim環境 * -% ************************** -% %%%%%%1992 April 30 %%%verbatim%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % from 奥村晴彦　LaTeX美文書作成入門　1991 技術評論社 % -% % omitted: =, by, etc. % -% % added: verbswitch % -% % \verbswitchtrue===> yen mark % -% % \verbswitchfalse===> backslash mark % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\newif\ifverbswitch \verbswitchtrue -\let\old@verbatim\@verbatim -\let\old@xverbatim\@xverbatim -\let\old@sxverbatim\@sxverbatim -\begingroup - \catcode`\|=0 \catcode`\\=13 - |gdef|verbh@@k{|catcode`|\=13 |let\=|yen} -|endgroup -% \end{macrocode} -% -% \begin{macrocode} -\def\verb{\begingroup \catcode``=13 \@noligs - \tt \let\do\@makeother \dospecials - \ifverbswitch \verbh@@k \fi \@ifstar{\@sverb}{\@verb}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{environment}{@verbatim} -% \begin{environment}{verbatim} -% -% The switch |\ifverbswitch| is also effective -% for in a verbtim environment. -% -% \begin{macrocode} -\begingroup -\catcode`|=0 \catcode`[=1 \catcode`]=2 -\catcode`\{=12 \catcode`\}=12 \catcode`\\=13 -|gdef|@xverbatim#1\end{verbatim}[#1|end[verbatim]] -|gdef|@sxverbatim#1\end{verbatim*}[#1|end[verbatim*]] -|endgroup -% \end{macrocode} -% -% \begin{macrocode} -\newdimen\verbatimleftmargin \verbatimleftmargin\leftmargini -\newdimen\verbatimbaselineskip \verbatimbaselineskip11pt -\def\verbatimsize{\small} -% \end{macrocode} -% -% \begin{macrocode} -\def\@verbatim{\trivlist \item[]% - \if@minipage \else \vskip\baselineskip% - \vskip-\verbatimbaselineskip \vskip\parskip\fi - \leftskip\@totalleftmargin - \if@minipage \else \advance\leftskip\verbatimleftmargin \fi - \rightskip\z@ \parindent\z@ \parfillskip\@flushglue \parskip\z@ - \@tempswafalse \def\par{\if@tempswa\hbox{}\fi\@tempswatrue\@@par} - \obeylines \verbatimsize \baselineskip\verbatimbaselineskip \tt - \catcode``=13 \@noligs \let\do\@makeother \dospecials} -% \end{macrocode} -% -% \begin{macrocode} -\def\verbatim{\ifverbswitch \@verbatim \else \old@verbatim \fi -\frenchspacing \@vobeyspaces -\ifverbswitch \verbh@@k \@xverbatim \else \old@xverbatim \fi} -\@namedef{verbatim*}{% - \ifverbswitch \@verbatim \verbh@@k \@sxverbatim - \else \old@verbatim \old@sxverbatim \fi} -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%pLaTeX2e%%%%%%%%%%%%%1996/04/20 by S. Fujita%%%%%% -% pLaTeX2eでは再定義されているので，上のままだとエラーになる -% LaTeX2.09の定義を補っておく -\def\@sverb#1{\def\@tempa ##1#1{##1\endgroup}\@tempa} -\def\@verb{\obeyspaces \frenchspacing \@sverb} -\def\@sverbtim{\obeyspaces\@verbatim} -\let\endverbatim=\endtrivlist -\@namedef{varbatim*}{\@verbatim\@sxverbatim} -\expandafter\let\csname endverbatim*\endcsname =\endtrivlist -% \end{macrocode} -% \end{environment} -% \end{environment} -% -% -% \section{Shadowed Boxes} -% -% \begin{macro}{\fb@xit} -% \begin{macro}{\fboxit} -% -% \begin{macrocode} -% -% <> -% \fb@xit{LWIDTH}{SPACE}{BWIDTH}{TEXT} -% #1 LWIDTH: line thickness -% #2 SPACE: spacing around the text -% #3 BWIDTH: box width -% #4 TEXT: text -% -\long\def\fb@xit#1#2#3#4{% -\setbox4=\vbox{\hsize#3\noindent#4}% -%\setbox4=\vbox{\hsize#3\noindent\strut#4\strut}% -\vbox{\hrule\@height#1\hbox{\vrule\@width#1\kern#2\vbox{% -\kern#2\box4\kern#2}\kern#1\vrule\@width#1}\hrule\@height#1}} -%\kern#2\box4\kern#2}\vrule\@width#1}\hrule\@height#1}} -% \end{macrocode} -% -% \begin{macrocode} -% -% \fboxit{BWIDTH}{TEXT} -% #1 BWIDTH: box width -% #2 TEXT: text -% -\long\def\fboxit#1#2{\fb@xit{\fboxrule}{\fboxsep}{#1}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\leftshfr@me} -% \begin{macro}{\leftshframe} -% \begin{macro}{\leftshfbox} -% -% \begin{macrocode} -% % ************************************************************ -% % * 影のついた箱 * -% % * January 3, 1993 by Shinsaku Fujita * -% % * Borde ({\em \TeX{} by Example})の記載を参考にして作った* -% % ************************************************************ -% After Chapter 12 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -% -% left shadow box -% -% \leftshfr@me{SWIDTH}{SPACE}{BOXWIDTH}{TEXT} -% -% #1 SWIDTH: shadow width -% #2 SPACE: spacing around the text -% #3 BOXWIDTH: box width -% #4 TEXT: text -% -% \leftshframe{BOXWIDTH}{TEXT} -% -% #1 BOXWIDTH: box width -% #2 TEXT: text -% -% \leftshfbox{TEXT} -% -% #1 TEXT: text -% -% %%leftshfr@me#1 shadow width, #2 space, #3 boxwidth, #4 text% -\long\def\leftshfr@me#1#2#3#4{\leavevmode% - \vbox{\hbox{\hsize #3\vbox{% - \hbox{\vrule\@width #1% - \vbox{\kern-#1\fb@xit{% - \fboxrule}{#2}{#3}{#4}\kern-\fboxrule}\kern-#1}% - \hrule\@height#1}}}\strut\hskip #1\relax} -% %leftshframe%%%%%%%%%%%%%%%%%%%%%%%%% #1 width, #2 text%%%%% -\long\def\leftshframe#1#2{% - \leftshfr@me{\fboxsep}{\fboxsep}{#1}{#2}} -% %leftshfbox%%%%%%%%%%%%%%%%%%%%%%%%% #1 text%%%%%%%%%%%%%%%% -\long\def\leftshfbox#1{\leavevmode\setbox0=\hbox{\fbox{#1}}% - \vbox{\hbox{\vbox{\hbox{\vrule\@width\fboxsep\vbox{% - \kern-\fboxsep\box0\kern-\fboxrule}\kern-\fboxsep}% - \hrule\@height\fboxsep}}}\hskip\fboxsep\relax} %%%% -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\rightshfr@me} -% \begin{macro}{\rightshframe} -% \begin{macro}{\rightshfbox} -% -% \begin{macrocode} -% -% right shadow box -% -% \rightshfr@me{SWIDTH}{SPACE}{BOXWIDTH}{TEXT} -% -% #1 SWIDTH: shadow width -% #2 SPACE: spacing around the text -% #3 BOXWIDTH: box width -% #4 TEXT: text -% -% \rightshframe{BOXWIDTH}{TEXT} -% -% #1 BOXWIDTH: box width -% #2 TEXT: text -% -% \rightshfbox{TEXT} -% -% #1 TEXT: text -% -% %rightshfr@me#1 shadow width, #2 space, #3 boxwidth, #4 text% -\long\def\rightshfr@me#1#2#3#4{\leavevmode% - \vbox{\hbox{\kern#1\vbox{\hsize#3\vbox{\kern-#1\hbox{% - \kern-#1\fb@xit{\fboxrule}{#2}{#3}{#4}}\hrule\@height#1}}% - \vrule\@width#1}}\strut} -% %rightshframe%%%%%%%%%%%%%%%%%%%%%%%%% #1 width, #2 text%%%%% -\long\def\rightshframe#1#2{% - \rightshfr@me{\fboxsep}{\fboxsep}{#1}{#2}} -% %rightshfbox%%%%%%%%%%%%%%%%%%%%%%%%% #1 text%%%%%%%%%%%%%%%% -\long\def\rightshfbox#1{\leavevmode% - \vbox{\hbox{\kern\fboxsep\vbox{\vbox{\kern-\fboxsep\hbox{% - \kern-\fboxsep\fbox{#1}}\hrule\@height\fboxsep}}% - \vrule\@width\fboxsep}}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{environment}{ffboxit} -% \begin{macro}{\ffparbox} -% -% \begin{macrocode} -% ***************************************** -% * 箱 (環境版) * -% * November 2, 1991 by Shinsaku Fujita * -% ***************************************** -% After Chapter 12 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -% %%%%%%1991 November 2 %%%ffboxit%%%%%%%%%%%%%%%%%%%%%% -\def\ffboxit{\par\vskip1pc\hfil\vbox\bgroup - \hrule\hbox\bgroup\vrule\kern3pt\vbox\bgroup\kern3pt} -\def\endffboxit{\kern3pt\egroup\kern3pt\vrule\egroup\hrule\egroup - \hfil\\} -\def\ffparbox#1#2{\vbox{\hsize=#1 \noindent\strut #2\strut}} -% \end{macrocode} -% \end{macro} -% \end{environment} -% -% \section{Framed box environment with and without shadows} -% -% \subsection{Framed box environment without shadows} -% -% \begin{macrocode} -% %%%%%%1991 November 2 %%%frameboxit%%%old definition%%%%%%%%%% -% with centering function -%\def\frameboxit#1{\par\vskip1pc\hfil\vbox\bgroup -% \hrule\hbox\bgroup\vrule\kern3pt\vbox\bgroup\kern3pt -% \vbox\bgroup\hsize=#1 \noindent\strut -% \@minipagetrue% -% \everypar{\global\@minipagefalse\everypar{}}} -%\def\endframeboxit{\strut\egroup\kern3pt\egroup% -%\kern3pt\vrule\egroup -% \hrule\egroup\hfil\\} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% -% <> -% \begin{fr@meboxit}{LWIDTH}{SPACE}{BWIDTH} -% LWIDTH: line thickness -% SPACE: spacing around the text -% BWIDTH: box width -% \end{fr@meboxit} -% -% %%fr@meboxit%%%%%#1 line width, #2 space, #3 width%%%%%%%%%%%%% -%\def\fr@meboxit#1#2#3{\gdef\fr@meline{#1}\gdef\fr@mesp{#2}% -% \hbox\bgroup\vbox\bgroup% -% \hrule\@height#1\hbox\bgroup% -% \vrule\@width#1\kern#2\vbox\bgroup% -% \kern#2\vbox\bgroup\hsize=#3\strut% -% \@minipagetrue% -% \everypar{\global\@minipagefalse\everypar{}}} -%\def\endfr@meboxit{\strut\egroup% -%\kern\fr@mesp\egroup\kern\fr@mesp\egroup\hrule\@height\fr@meline% -%\egroup\vrule\@width\fr@meline\egroup} -% \end{macrocode} -% -% \begin{environment}{fr@meboxit} -% \begin{environment}{frameboxit} -% -% \begin{macrocode} -% %%%%%%%revised by S. Fujita, January 16, 1993%%%%%%%%%%%%%%%%%%%%% -\long\def\fr@meboxit#1#2#3{\gdef\fr@meline{#1}\gdef\fr@mesp{#2}% -% % \setbox4=\vbox\bgroup\hsize=#3\@parboxrestore\ignorespaces} - \global\setbox4=\hbox\bgroup\minipage{#3}} -% %\def\endfr@meboxit{\egroup% -\def\endfr@meboxit{\endminipage\egroup% - \hbox{\vbox{\hrule\@height\fr@meline% - \hbox{\vrule\@width\fr@meline\kern\fr@mesp% - \vbox{\kern\fr@meline\kern\fr@mesp\box4\kern\fr@mesp}% -% % \vbox{\kern\fr@mesp\box4\kern\fr@mesp}% - \kern\fr@mesp}\hrule\@height\fr@meline}% - \vrule\@width\fr@meline}} -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%revised by S. Fujita, January 16, 1993%%%%%%%%%%%%%%%%%%%% -\def\frameboxit#1{\leavevmode\fr@meboxit{\fboxrule}{\fboxsep}{#1}} -\let\endframeboxit=\endfr@meboxit -% \end{macrocode} -% \end{environment} -% \end{environment} -% -% \subsection{Framed box environment with shadows} -% -% \begin{environment}{lshfr@meboxit} -% \begin{environment}{lshfboxit} -% -% \begin{macrocode} -% ***************************************** -% * 影のついた箱 (環境版) * -% * January 16, 1993 by Shinsaku Fujita * -% * \sh@hwidth: 水平の影の太さ * -% * \sh@vwidth: 垂直の影の太さ * -% ***************************************** -% After Chapter 12 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -% -% <> See above -% \begin{fr@meboxit}{LWIDTH}{SPACE}{BWIDTH} -% LWIDTH: line thickness -% SPACE: spacing around the text -% BWIDTH: box width -% \end{fr@meboxit} -% -% <> -% \begin{lshfr@meboxit}{HSWIDTH}{VSWIDTH}{SPACE}{BWIDTH} -% HSWIDTH: the thickness of the horizontal shadow -% VSWIDTH: the thickness of the vertical shadow -% SPACE: spacing around the text -% BWIDTH: box width -% \end{lshfr@meboxit} -% -% <> -% \begin{lshfboxit}{BWIDTH} -% BWIDTH: box width -% \end{lshfboxit} -% -% %%%lshfr@meboxit#1 #2 shadow width, #3 space, #4 boxwidth%%%% -\def\lshfr@meboxit#1#2#3#4{\gdef\sh@hwidth{#1}\gdef\sh@vwidth{#2}% -\leavevmode% - \vbox\bgroup\hbox\bgroup\hsize #4\vbox\bgroup% - \hbox\bgroup\vrule\@width\sh@vwidth% - \vbox\bgroup\kern-\sh@hwidth\fr@meboxit{\fboxrule}{#3}{#4}} -\def\endlshfr@meboxit{\endfr@meboxit%%%%\kern-\fboxrule - \egroup\kern-\sh@vwidth\egroup% - \hrule\@height\sh@hwidth\egroup\egroup\egroup% - \strut\kern\sh@hwidth\relax} -% \end{macrocode} -% -% \begin{macrocode} -% %%lshfboxit%%%%%%%%%%%%%%%%%%%%%%%%% #1 width %%%%%%%% -\def\lshfboxit#1{\leavevmode% - \lshfr@meboxit{\fboxsep}{\fboxsep}{\fboxsep}{#1}} -\let\endlshfboxit=\endlshfr@meboxit -% \end{macrocode} -% \end{environment} -% \end{environment} -% -% \begin{environment}{rshfr@meboxit} -% \begin{environment}{rshfboxit} -% -% \begin{macrocode} -% <> -% \begin{rshfr@meboxit}{HSWIDTH}{VSWIDTH}{SPACE}{BWIDTH} -% HSWIDTH: the thickness of the horizontal shadow -% VSWIDTH: the thickness of the vertical shadow -% SPACE: spacing around the text -% BWIDTH: box width -% \end{rshfr@meboxit} -% -% <> -% \begin{rshfboxit}{BWIDTH} -% BWIDTH: box width -% \end{rshfboxit} -% -% %%rshfr@meboxit#1 #2 shadow width, #3 space, #4 boxwidth%%% -\def\rshfr@meboxit#1#2#3#4{% - \gdef\sh@hwidth{#1}\gdef\sh@vwidth{#2}% - \leavevmode% - \vbox\bgroup\hbox\bgroup\kern\sh@vwidth% - \vbox\bgroup\hsize#4\vbox\bgroup% - \kern-\sh@hwidth\hbox\bgroup\kern-\sh@vwidth% - \fr@meboxit{\fboxrule}{#3}{#4}} -\def\endrshfr@meboxit{\endfr@meboxit\egroup% - \hrule\@height\sh@hwidth% - \egroup\egroup\vrule\@width\sh@vwidth\egroup\egroup\strut} -% \end{macrocode} -% -% \begin{macrocode} -% %%rshfboxit%%%%%%%%%%%%%%%%%%%%%%%%% #1 width%%%%%%%% -\def\rshfboxit#1{\leavevmode% - \rshfr@meboxit{\fboxsep}{\fboxsep}{\fboxsep}{#1}} -\let\endrshfboxit=\endrshfr@meboxit -% \end{macrocode} -% \end{environment} -% \end{environment} -% -% \subsection{Framed box environment with gradient shadows} -% -% \begin{macro}{\hsgr@d} -% \begin{macro}{\vsgr@d} -% \begin{macro}{\vwgr@d} -% \begin{macro}{\hwgr@d} -% \begin{macro}{\vsepgr@d} -% \begin{macro}{\hsepgr@d} -% \begin{macro}{\nrep} -% \begin{macro}{\nrepmax} -% -% \begin{macrocode} -% %%parameters%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\newdimen\hsgr@d \newdimen\vsgr@d -\newdimen\vwgr@d \newdimen\hwgr@d -\newdimen\vsepgr@d \newdimen\hsepgr@d -\newcount\nrep \newcount\nrepmax -%\nrepmax=20 -\nrepmax=25 -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{environment}{grshfr@meboxit} -% \begin{environment}{grshfboxit} -% -% \begin{macrocode} -% ***************************************** -% * 斜の影のついた箱 (環境版) * -% * Box environments with gradient shadow * -% * January 16, 1993 by Shinsaku Fujita * -% ***************************************** -% After Chapter 12 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -% -% <> -% \begin{grshfr@meboxit}{HSWIDTH}{VSWIDTH}{SPACE}{BWIDTH} -% HSWIDTH: the thickness of the horizontal shadow -% VSWIDTH: the thickness of the vertical shadow -% SPACE: spacing around the text -% BWIDTH: box width -% \end{grshfr@meboxit} -% -% <> -% \begin{grshfboxit}{BWIDTH} -% BWIDTH: box width -% \end{grshfboxit} -% %%%%%%%%grshfr@meboxit#1 #2 shadow width, #3 space, #4 boxwidth%%% -\def\grshfr@meboxit#1#2#3#4{% - \hsgr@d=0pt \advance\hsgr@d by#1 \divide\hsgr@d by\nrepmax% - \vsgr@d=0pt \advance\vsgr@d by#2 \divide\vsgr@d by\nrepmax% - \leavevmode% - \setbox0=\vbox\bgroup\fr@meboxit{\fboxrule}{#3}{#4}} -\def\brb@xit#1{\vbox{\setbox1=\hbox{#1}% - \offinterlineskip% - \hbox{\copy1\vsepgr@d=\nrep\vsgr@d% - \vwgr@d=\ht1\advance\vwgr@d by-\vsepgr@d% - \vrule\@height\vwgr@d\@width\vsgr@d}% - \hbox{\hsepgr@d=\nrep\hsgr@d\kern\hsepgr@d% - \vbox{\hwgr@d=\wd1\advance\hwgr@d by-\hsepgr@d% - \hrule\@height\hsgr@d\@width\hwgr@d}}}} -\def\lprb@xit{\expandafter\setbox0=\expandafter\brb@xit{\box0}} -\def\endgrshfr@meboxit{\endfr@meboxit\egroup% - \nrep=\@ne\@whilenum\nrep<\nrepmax\do% - {\lprb@xit\advance\nrep\@ne}\box0\relax} -% %%%%% in TeX grammer -%\def\endgrshfr@meboxit{\endfr@meboxit\egroup% -% \nrep=\@ne \loop \lprb@xit \advance\nrep\@ne% -% \ifnum \nrep<\nrepmax \repeat \box0\relax} -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%grshfboxit%%%%%%%%%%%%%%%%%%%%%%%%% #1 width, #2 text%%%%%%%% -\def\grshfboxit#1{\leavevmode% - \grshfr@meboxit{\fboxsep}{\fboxsep}{\fboxsep}{#1}} -\let\endgrshfboxit=\endgrshfr@meboxit -% \end{macrocode} -% \end{environment} -% \end{environment} -% -% \begin{environment}{glshfr@meboxit} -% \begin{environment}{glshfboxit} -% -% \begin{macrocode} -% <> -% \begin{glshfr@meboxit}{HSWIDTH}{VSWIDTH}{SPACE}{BWIDTH} -% HSWIDTH: the thickness of the horizontal shadow -% VSWIDTH: the thickness of the vertical shadow -% SPACE: spacing around the text -% BWIDTH: box width -% \end{glshfr@meboxit} -% -% <> -% \begin{glshfboxit}{BWIDTH} -% BWIDTH: box width -% \end{glshfboxit} -% %%%%%%%%glshfr@meboxit#1 #2 shadow width, #3 space, #4 boxwidth%% -\def\glshfr@meboxit#1#2#3#4{% - \hsgr@d=0pt \advance\hsgr@d by#1 \divide\hsgr@d by\nrepmax% - \vsgr@d=0pt \advance\vsgr@d by#2 \divide\vsgr@d by\nrepmax% - \leavevmode% - \setbox0=\vbox\bgroup\fr@meboxit{\fboxrule}{#3}{#4}} -\def\blb@xit#1{% - \vbox{\setbox1=\hbox{#1}% - \offinterlineskip% - \vsepgr@d=\nrep\vsgr@d% - \vwgr@d=\ht1\advance\vwgr@d by-\vsepgr@d% - \hsepgr@d=\nrep\hsgr@d% - \hwgr@d=\wd1\advance\hwgr@d by-\hsepgr@d% - \hbox{\vrule\@height\vwgr@d\@width\vsgr@d\copy1}% - \hbox{\kern-\vsgr@d% - \vrule\@height\hsgr@d\@width\hwgr@d}}} -% %% \hbox{\vbox{\hrule\@height\hsgr@d\@width\hwgr@d}}}} -\def\lplb@xit{\expandafter\setbox0=\expandafter\blb@xit{\box0}} -\def\endglshfr@meboxit{\endfr@meboxit\egroup% - \nrep=\@ne\@whilenum\nrep<\nrepmax\do% - {\lplb@xit\advance\nrep\@ne}\box0\relax} -% %%%%% in TeX grammer -%\def\endglshfr@meboxit{\endfr@meboxit\egroup% -% \nrep=\@ne \loop \lplb@xit \advance\nrep\@ne% -% \ifnum\nrep<\nrepmax\repeat\box0\relax} -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%glshfboxit%%%%%%%%%%%%%%%%%%%%%%%%% #1 width, #2 text%%% -\def\glshfboxit#1{\leavevmode% - \glshfr@meboxit{\fboxsep}{\fboxsep}{\fboxsep}{#1}} -\let\endglshfboxit=\endglshfr@meboxit -% \end{macrocode} -% \end{environment} -% \end{environment} -% -% \section{(Mini)screen environment} -% \subsection{(Mini)screen environment without a title} -% -% \begin{macro}{\@oval} -% \begin{macro}{\h@b@x} -% \begin{macro}{\@vrf@} -% \changes{v2.00}{2000/06/15}{ybaselineshift etc.} -% -% \begin{macrocode} -\@ifundefined{ybaselineshift}{% -\newdimen\ybaselineshift \ybaselineshift=\z@}{} -\@ifundefined{tbaselineshift}{% -\newdimen\tbaselineshift \tbaselineshift=\z@}{} -\newdimen\@savetbaselineshift \@savetbaselineshift=\z@ -\def\@oval(#1,#2)[#3]{\begingroup\boxmaxdepth \maxdimen - \@ovttrue \@ovbtrue \@ovltrue \@ovrtrue - \@tfor\@tempa :=#3\do{\csname @ov\@tempa false\endcsname}\@ovxx - #1\unitlength \@ovyy #2\unitlength - \@tempdimb \ifdim \@ovyy >\@ovxx \@ovxx\else \@ovyy \fi - \advance\@tempdimb -2pt\relax - \@getcirc \@tempdimb - \@ovro \ht\@tempboxa \@ovri \dp\@tempboxa - \@ovdx\@ovxx \advance\@ovdx -\@tempdima \divide\@ovdx \tw@ - \@ovdy\@ovyy \advance\@ovdy -\@tempdima \divide\@ovdy \tw@ - \@circlefnt \setbox\@tempboxa - \hbox{\if@ovr \@ovvert32\kern -\@tempdima \fi - \if@ovl \kern \@ovxx \@ovvert01\kern -\@tempdima \kern -\@ovxx \fi - \if@ovt \@ovhorz \kern -\@ovxx \fi - \if@ovb \raise \@ovyy \@ovhorz \fi}\advance\@ovdx\@ovro - \advance\@ovdy\@ovro \ht\@tempboxa\z@ \dp\@tempboxa\z@ - \@put{-\@ovdx}{-\@ovdy}{\box\@tempboxa}% - \endgroup} -\def\h@b@x#1#2#3{\hbox to\dimen1% - {\@oval(#3,#3)[#1]\hfil\@oval(#3,#3)[#2]}} -\def\@vrf@#1#2{\vskip#1\leaders\vrule\@width#2\vfil\vskip#1} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{environment}{miniscreen} -% \begin{environment}{screen} -% \changes{v2.00}{2000/06/15}{ybaselineshift etc.} -% -% \begin{macrocode} -% ****************** -% * miniscreen環境 * -% ****************** -% -% ASCII版Micro\TeXのscreen環境を枠の幅を指定できるように改変 -% -% ifcase文 ==> 直接計算 -% dimen類 ==> dimen0 to dimen5 -% box類 ==> box0 and box1 -% -% After Chapter 12 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -% miniscreen environment -% -\let\miniscreentoprule=\hrule -\def\miniscreen{\@ifnextchar[{\@miniscreen}{\@miniscreen[0]}} -% \end{macrocode} -% -% \begin{macrocode} -\def\miniscreen{\@ifnextchar[{\@miniscreen}{\@miniscreen[0]}} -\def\@miniscreen[#1]#2{\dimen1=#2\relax% -\@savetbaselineshift\tbaselineshift \tbaselineshift\z@ -\@tempcnta=-2 \multiply\@tempcnta by#1\relax% -\advance\@tempcnta by 20\relax \dimen5=1pt -\multiply\dimen5\@tempcnta -\dimen4=-1pt \multiply\dimen4 by#1\relax -\advance\dimen4 by 10pt -\dimen3=\dimen4 \advance\dimen3 by -.2pt -\par\vspace{.3\baselineskip}% -\dimen2=\dimen1 \advance\dimen2 by .1pt -\advance\dimen1 -\dimen5\relax% -\setbox0=\hbox\bgroup\minipage{\dimen1 -\tbaselineshift\@savetbaselineshift}}% -% \end{macrocode} -% -% \begin{macrocode} -\def\endminiscreen{\endminipage\egroup% -\setbox1=\hbox to\dimen2{\hfil\vbox{\offinterlineskip% -\thinlines\unitlength=1pt -\miniscreentoprule%\hrule -\kern\dimen3% -\h@b@x{tl}{tr}{\@tempcnta}% -\kern-\dimen4\box0\h@b@x{bl}{br}{\@tempcnta}% -\kern-.4pt\hrule}\hfil}\dimen0=\ht1\noindent% -\hbox to\dimen2{\hbox to.4pt{% -\vbox to\dimen0{\@vrf@{\dimen4}{.4pt}}\hss}% -\box1\hbox to.2pt{% - \hss\vbox to\dimen0{\@vrf@{\dimen4}{.4pt}}}\hss}}% -% %%%%%%alternative -%\def\miniscreen{\@ifnextchar[{\@miniscreen}{\@miniscreen[0]}} -%\def\@miniscreen[#1]#2{\noindent\minipage{#2}\@screen[#1]} -%\def\endminiscreen{\endscreen\endminipage} -% \end{macrocode} -% -% \begin{macrocode} -\def\screen{\@ifnextchar[{\@screen}{\@miniscreen[0]{\linewidth}}} -\def\@screen[#1]{\miniscreen[#1]{\linewidth}} -\let\endscreen=\endminiscreen -% \end{macrocode} -% \end{environment} -% \end{environment} -% -% \subsection{(Mini)screen environment with a title} -% -% \begin{macro}{\tboxscreentoprule} -% \begin{macro}{\tboxtitle} -% -% \begin{macrocode} -\def\tboxscreentoprule{% -\hbox to\wd0{\smash{\lower.4ex\hbox{% -\fboxsep=2pt \fbox{\small \tboxtitle}}}\hrulefill}} -\def\tboxtitle{\bf Memorandum} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{environment}{\tboxminiscreen} -% \begin{environment}{\tboxscreen} -% -% \begin{macrocode} -% ****************** -% * tboxscreen環境 * -% ****************** -% 1996/06/04 by Shinsaku Fujita -% -\def\tboxminiscreen{\@ifnextchar[{\vskip8pt - \let\miniscreentoprule=\tboxscreentoprule% - \@miniscreen}{\vskip8pt - \let\miniscreentoprule=\tboxscreentoprule% - \@miniscreen[0]}} -\let\endtboxminiscreen=\endminiscreen -% \end{macrocode} -% -% \begin{macrocode} -\def\tboxscreen{\@ifnextchar[{\@tboxscreen}% -{\@tboxscreen[0]}} -\def\@tboxscreen[#1]{\tboxminiscreen[#1]{\linewidth}} -\let\endtboxscreen=\endtboxminiscreen -% \end{macrocode} -% \end{environment} -% \end{environment} -% -% \section{Further boxes} -% -% \begin{macro}{\sboxit} -% -% \begin{macrocode} -% ****************************** -% * \sboxit 左右の余裕のない箱 * -% ****************************** -% After Chapter 12 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -\def\sboxit#1#2{\vbox{\hrule\hbox% -{\vrule\vbox{\kern3pt\vbox{\hsize #1 \noindent #2}% -\kern3pt}\vrule}\hrule}} -% \end{macrocode} -% \end{macro} -% -% \section{Boxes with no height or no width} -% -% \begin{macro}{\bury} -% \begin{macro}{\pushtowall} -% -% \begin{macrocode} -% *********************** -% * bury and pushtowall * -% *********************** -% After Chapter 7 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -% -% \bury[下げ幅]{内容} -% 下げ幅のデフォルト値は，\normalbaselineksipの半分 -% -% (旧) \def\bury#1{\smash{\lower.5\normalbaselineskip\hbox{#1}}} -% これは，「化学と生化学のためのLaTeX」に載せた定義です． -% 以下の定義は，下げ幅をオプション引数として取るように -% 拡張したものです． -% -\def\bury{\@ifnextchar [{\@bury}{\@bury[.5\normalbaselineskip]}} -\def\@bury[#1]#2{\smash{\lower#1\hbox{#2}}} -% -% \pushtowall{内容} -% 水平方向の押し付ける命令 (\smashの水平方向版) -% -\def\finpushw@ll{\wd0=0pt \box0} -\def\makepushw@ll#1{\setbox0=\hbox{#1}\finpushw@ll} -\def\mathpushw@ll#1#2{\setbox0=\hbox{$\m@th#1{#2}$}\finpushw@ll} -\def\pushtowall{\relax \leavevmode - \ifmmode\def\next{\mathpalette\mathpushw@ll} - \else\let\next\makepushw@ll \fi \next} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\penetrate} -% -% \begin{macrocode} -% \penetrate{DIM}{OBJ} -% 幅無しを、印字位置はそのままにして、だけ移動させる。この時 -% 引き続く文字の印字位置はがなかったとした時の位置になる。 -% (\bury命令の水平方向版) -% -% (比較) -% aaa bbb \penetrate{-50pt}{ccc} ddd eee fff \\ -% aaa bbb \hspace{-50pt} ccc ddd eee fff \\ -% -\def\penetrate#1#2{\pushtowall{\hbox{\hskip#1\hbox{#2}}}} -% \end{macrocode} -% \end{macro} -% -% \section{Symbols for instant photography} -% -% \begin{macro}{\cyan} -% \begin{macro}{\magenta} -% \begin{macro}{\yellow} -% \begin{macro}{\cyandv} -% \begin{macro}{\magentadv} -% \begin{macro}{\yellowdv} -% \begin{macro}{\agxlatent} -% \begin{macro}{\agxdv} -% \begin{macro}{\agx} -% -% \begin{macrocode} -% *********************** -% * instant photography * -% *********************** -% After Chapter 7 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -\def\cyan{\mbox{$\bigcirc$\kern-.06em{--}\kern-.06em - \ooalign{\hfil - \raise.05ex\hbox{\scriptsize C}\hfil\cr\cr$\bigcirc$}\,}} -\def\magenta{\mbox{$\bigcirc$\kern-.06em{--}\kern-.06em - \ooalign{\hfil - \raise.05ex\hbox{\scriptsize M}\hfil\cr\cr$\bigcirc$}\,}} -\def\yellow{\mbox{$\bigcirc$\kern-.06em{--}\kern-.06em - \ooalign{\hfil - \raise.05ex\hbox{\scriptsize Y}\hfil\cr\cr$\bigcirc$}\,}} -\def\cyandv{\mbox{$\bigotimes$\kern-.06em{--}\kern-.06em - \ooalign{\hfil - \raise.05ex\hbox{\scriptsize C}\hfil\cr\cr$\bigcirc$}\,}} -\def\magentadv{\mbox{$\bigotimes$\kern-.06em{--}\kern-.06em - \ooalign{\hfil - \raise.05ex\hbox{\scriptsize M}\hfil\cr\cr$\bigcirc$}\,}} -\def\yellowdv{\mbox{$\bigotimes$\kern-.06em{--}\kern-.06em - \ooalign{\hfil - \raise.05ex\hbox{\scriptsize Y}\hfil\cr\cr$\bigcirc$}\,}} -\def\agxlatent{% - \mbox{\ooalign{% - \hfil\raise.07ex\hbox{\footnotesize $\bullet$}\hfil\cr\cr - $\triangle$}\,}} -\def\agxdv{% - \mbox{\ooalign{\hfil\raise.07ex\hbox{% - \small $\spadesuit$}\hfil\cr\cr - $\triangle$}\,}} -\def\agx{\mbox{$\triangle$}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \section{Various arrows with fixed length} -% -% \begin{macro}{\llongrightarrow} -% \begin{macro}{\llongleftarrow} -% \begin{macro}{\llongleftrightarrow} -% \begin{macro}{\Equilibarrow} -% \begin{macro}{\Llongrightarrow} -% \begin{macro}{\Llongleftarrow} -% \begin{macro}{\Llongleftrightarrow} -% -% \begin{macrocode} -% *********************** -% * various long arrows * -% *********************** -% After Chapter 18 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -\def\llongrightarrow{%%%---> -\relbar\joinrel\relbar\joinrel\relbar\joinrel\rightarrow} -\def\llongleftarrow{%%%<--- - \leftarrow\joinrel\relbar\joinrel\relbar\joinrel\relbar} -\def\llongleftrightarrow{%%%<---> - \leftarrow\joinrel\relbar\joinrel\relbar\joinrel\rightarrow} -\def\Equilibarrow{%%%<--- and ---> - \mathrel{\ooalign{\raise.35ex\hbox{$\llongrightarrow$}\crcr - \lower.35ex\hbox{$\llongleftarrow$}}}} -\def\Llongrightarrow{%%%===> - \Relbar\joinrel\Relbar\joinrel\Relbar\joinrel\Rightarrow} -\def\Llongleftarrow{%%%<=== - \Leftarrow\joinrel\Relbar\joinrel\Relbar\joinrel\Relbar} -\def\Llongleftrightarrow{%%<===> - \Leftarrow\joinrel\Relbar\joinrel\Relbar\joinrel\Rightarrow} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} - -% -% \begin{macro}{\llongleftharpoondown} -% \begin{macro}{\llongrightharpoondown} -% \begin{macro}{\equilibarrow} -% -% \begin{macrocode} -\def\llongleftharpoondown{%%% /--- - \leftharpoondown\joinrel\relbar\joinrel\relbar\joinrel\relbar} -\def\llongrightharpoonup{%%%---/ - \relbar\joinrel\relbar\joinrel\relbar\joinrel\rightharpoonup} -\def\equilibarrow{%%% /--- and ---/ - \mathrel{\ooalign{% - \raise.3ex\hbox{$\llongrightharpoonup$}\crcr - \lower.3ex\hbox{$\llongleftharpoondown$}}}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\eqproton} -% -% \begin{macrocode} -% ******************************* -% * 平衡の両側矢印の上にH+を書く* -% ******************************* -\def\eqproton{\stackrel{{\rm \displaystyle H}^{+}}{\Equilibarrow}} -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\lllongrightarrow} -% \begin{macro}{\lllongleftarrow} -% \begin{macro}{\lllongleftrightarrow} -% \begin{macro}{\Equiliblongarrow} -% \begin{macro}{\Lllongrightarrow} -% \begin{macro}{\Lllongleftarrow} -% \begin{macro}{\Lllongleftrightarrow} -% -% \begin{macrocode} -% **************** -% * 長い長い矢印 * -% **************** -\def\lllongrightarrow{\relbar\joinrel\relbar% - \joinrel\relbar\joinrel\relbar\joinrel\rightarrow} -\def\lllongleftarrow{%%%<------- - \leftarrow\joinrel\relbar\joinrel\relbar% - \joinrel\relbar\joinrel\relbar} -\def\lllongleftrightarrow{%%%<-------> - \leftarrow\joinrel\relbar\joinrel\relbar% - \joinrel\relbar\joinrel\rightarrow} -\def\Equiliblongarrow{%%%<------- and -------> - \mathrel{\ooalign{\raise.35ex\hbox{$\lllongrightarrow$}\crcr - \lower.35ex\hbox{$\lllongleftarrow$}}}} -\def\Lllongrightarrow{%%%=======> - \Relbar\joinrel\Relbar\joinrel\Relbar\joinrel% - \Relbar\joinrel\Rightarrow} -\def\Lllongleftarrow{%%%<======= - \Leftarrow\joinrel\Relbar\joinrel\Relbar\joinrel% - \Relbar\joinrel\Relbar} -\def\Lllongleftrightarrow{%%<=======> - \Leftarrow\joinrel\Relbar\joinrel\Relbar\joinrel% - \Relbar\joinrel\Rightarrow} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\lllongleftharpoondown} -% \begin{macro}{\lllongrightharpoondown} -% \begin{macro}{\equiliblongarrow} -% \begin{macro}{\deHBr} -% -% \begin{macrocode} -\def\lllongleftharpoondown{%%% /------- - \leftharpoondown\joinrel\relbar\joinrel\relbar% - \joinrel\relbar\joinrel\relbar} -\def\lllongrightharpoonup{%%%-------/ - \relbar\joinrel\relbar\joinrel\relbar\joinrel% - \relbar\joinrel\rightharpoonup} -\def\equiliblongarrow{%%% /------ and ------/ - \mathrel{\ooalign{% - \raise.3ex\hbox{$\lllongrightharpoonup$}\crcr - \lower.3ex\hbox{$\lllongleftharpoondown$}}}} -% %%%%% -\def\deHBr{\stackrel{\displaystyle \rm -HBr}% -{\stackrel{\displaystyle \lllongrightarrow}{\rm E2}}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \section{Chemical Corrections} -% -% \subsection{Correction commands} -% -% \begin{macro}{\chemcorr} -% \begin{macro}{\leavechemcorr} -% -% \changes{v2.00a}{2000/11/03}{chemcorr 3.0pt into 3.5pt} -% \begin{macrocode} -% ******************** -% * chemform command * -% ******************** -% After Chapter 9 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -\def\chemcorr{% - \fontdimen16\textfont2=3.5pt - \fontdimen17\textfont2=3.5pt - %\fontdimen14\textfont2=3.8pt -} -\def\leavechemcorr{% - \fontdimen16\textfont2=1.49998pt - \fontdimen17\textfont2=2.47217pt - %\fontdimen14\textfont2=3.62892pt -} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \subsection{Chem Version} -% -% \begin{macro}{\ifnewl@tex} -% -% The `chem' for mathversion is introduced to describe chemical equations. -% \begin{macrocode} -\newif\ifnewl@tex \newl@textrue -\@ifundefined{DeclareMathVersion}% - {\global\newl@texfalse}{\global\newl@textrue}% -% -\ifnewl@tex\@ifundefined{mv@chem}{\DeclareMathVersion{chem}% - \SetSymbolFont{letters}{chem}{OT1}{cmr}{m}{n}}{}\fi -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\chemform} -% -% \changes{v2.00a}{2000/11/03}{change the position of chemcorr -% in chemform command} -% -% \begin{macrocode} -\ifnewl@tex -\def\chemform#1{{\mathversion{chem}% -$\chemcorr #1$\leavechemcorr}} -\else -\def\chemform#1{\chemcorr -$\rm #1$\leavechemcorr} -\fi -% \end{macrocode} -% \end{macro} -% -% \begin{environment}{chemmath} -% -% \changes{v2.00a}{2000/11/03}{change the position of chemcorr -% in chemmath command} -% \begin{macrocode} -% ************************ -% * chemmath environment * -% ************************ -% After Chapter 9 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -\ifnewl@tex -\def\chemmath{\begingroup\mathversion{chem}\[\chemcorr} -\def\endchemmath{\]\endgroup\leavechemcorr} -\else -\def\chemmath{\chemcorr\[\rm} -\def\endchemmath{\] \leavechemcorr} -\fi -% \end{macrocode} -% \end{environment} -% -% \begin{environment}{chemeqn} -% -% \changes{v2.00a}{2000/11/03}{change the position of chemcorr -% in chemeqn command} -% \begin{macrocode} -% *********************** -% * chemeqn environment * -% *********************** -% After Chapter 9 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -\ifnewl@tex -\def\chemeqn{\begingroup\mathversion{chem}\equation\chemcorr} -\def\endchemeqn{\endequation\endgroup\leavechemcorr} -\else -\def\chemeqn{\chemcorr\equation\rm} -\def\endchemeqn{\endequation\leavechemcorr} -\fi -% \end{macrocode} -% \end{environment} -% -% \begin{environment}{chemeqnarray} -% -% \changes{v2.00a}{2000/11/03}{change the position of chemcorr -% in chemeqnarray command} -% \begin{macrocode} -% **************************** -% * chemeqnarray environment * -% **************************** -% After Chapter 9 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -\ifnewl@tex -\def\chemeqnarray{\stepcounter{equation} - \let\@currentlabel=\theequation - \global\@eqnswtrue - \global\@eqcnt\z@\tabskip\@centering - \let\\=\@eqncr - \begingroup\mathversion{chem} -$$\chemcorr\halign to \displaywidth\bgroup - \@eqnsel\hskip\@centering - $\rm \displaystyle\tabskip\z@{##}$ & - \global\@eqcnt\@ne - \hskip \arraycolsep \hfil$\rm{##}$\hfil & - \global\@eqcnt\tw@ \hskip \arraycolsep - $\rm \displaystyle\tabskip\z@{##}$\hfil - \tabskip\@centering & - \llap{##}\tabskip\z@\cr} -\def\endchemeqnarray{\endeqnarray\endgroup -\leavechemcorr} -\else -\def\chemeqnarray{\stepcounter{equation} - \let\@currentlabel=\theequation - \global\@eqnswtrue - \global\@eqcnt\z@\tabskip\@centering - \let\\=\@eqncr \chemcorr -$$\halign to \displaywidth\bgroup - \@eqnsel\hskip\@centering - $\rm \displaystyle\tabskip\z@{##}$ & - \global\@eqcnt\@ne - \hskip \arraycolsep \hfil$\rm{##}$\hfil & - \global\@eqcnt\tw@ \hskip \arraycolsep - $\rm \displaystyle\tabskip\z@{##}$\hfil - \tabskip\@centering & - \llap{##}\tabskip\z@\cr} -\def\endchemeqnarray{\endeqnarray -\leavechemcorr} -\fi -% \end{macrocode} -% \end{environment} -% -% \begin{environment}{chemeqnarray*} -% -% \begin{macrocode} -% ***************************** -% * chemeqnarray* environment * -% ***************************** -% After Chapter 9 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -% bug fix (1996/06/15) the end command is replaced. -\let\@seqncr=\@eqncr -\ifnewl@tex -\@namedef{chemeqnarray*}{% -\def\@eqncr{\nonumber\@seqncr}\chemeqnarray} -\@namedef{endchemeqnarray*}{\nonumber\endchemeqnarray} -\else -\@namedef{chemeqnarray*}{% -\def\@eqncr{\nonumber\@seqncr\rm}\chemeqnarray} -\@namedef{endchemeqnarray*}{\nonumber\endchemeqnarray} -\fi -% \end{macrocode} -% \end{environment} -% -% \begin{environment}{chemeqnarraya} -% -% \begin{macrocode} -% ***************** -% * chemeqnarraya * -% ***************** -% After Chapter 9 of ``LaTeX for (Bio)Chemists'' by S. Fujita -% revised may 21 1992 by S. Fujita -\def\chemeqnarraya{\chemeqn@rraya \chemeqnarray} -\def\chemeqn@rraya{% - \c@enumi=\c@equation - \advance\c@enumi\@ne - \c@equation=\z@ - \@ifundefined{chapter}% -{\def\theequation{\theenumi\alph{equation}}}% -{\def\theequation{% -\thechapter.\theenumi\alph{equation}}}} -\def\endchemeqnarraya{\endchemeqnarray -\global\c@equation=\c@enumi} -% \end{macrocode} -% \end{environment} -% -% \section{XyMcompd and XyMtab Environments} -% -% These environments are designed for XyM Markup Language -% to treat a XyM tag and a XyMtab tag. -% -% \begin{environment}{XyMcompd} -% \changes{v2.00}{1999/03/16}{New Environment} -% -% \begin{macrocode} -\def\XyMcompd(#1,#2)(#3,#4)#5#6{% -\begingroup -\edef\xymrefa{#5}\edef\xymrefb{#6}% -\edef\kkk{#1}% -\begin{tabular}{c} -\ifx\kkk\empty\else -\begin{picture}(#1,#2)(#3,#4)\fi\ignorespaces} -\def\endXyMcompd{% -\ifx\kkk\empty\else\end{picture}\fi -\\[-\baselineskip] -\ifx\xymrefa\empty\else{\bf \compd\xymrefb -\expandafter\label{\xymrefa}}\fi -\end{tabular}\endgroup} -% \end{macrocode} -% \end{environment} -% -% \begin{environment}{XyMtab} -% \changes{v2.00}{1999/03/16}{New Environment} -% -% \begin{macrocode} -\def\XyMtab#1{\center\tabular{#1c}} -\def\endXyMtab{\endtabular\endcenter} -% \end{macrocode} -% \end{environment} -% -% \begin{macro}{\derivlist} -% \changes{v2.00}{1999/03/17}{New command} -% -% For example, derivatives are specified as follows: -% \begin{verbatim} -% \derivlist{X = Cl;X = F;X = Me} -% \end{verbatim} -% -% \begin{macrocode} -\def\derivlist#1{% -\mbox{}\\ -\begingroup\def\arraystretch{0.7}% -\begin{tabular}{l} -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\hbox to2em{\hss\derivnum}:\space\member \\ -\fi}\end{tabular}\endgroup} -% \end{macrocode} -% \end{macro} -% This command is used in the XyMderiv environment. -% -% \begin{environment}{XyMderiv} -% \changes{v2.00}{1999/03/17}{New Environment} -% -% \begin{macrocode} -\def\XyMderiv{\tabular{c}} -\def\endXyMderiv{\endtabular} -% \end{macrocode} -% \end{environment} -% -% \section{Useful commands} -% -% \begin{macro}{\endash} -% \begin{macro}{\Cent} -% \begin{macro}{\degC} -% \begin{macro}{\degF} -% -% \begin{macrocode} -% *************** -% * temperature * -% *************** -% After Chapter 12 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -\def\endash{\mbox{--{}}} -\def\Cent{\mbox{\raise.9ex\hbox{% - \scriptsize$\circ$}\kern-.12em\hbox{C}}} -\def\degC{\mbox{\kern-.2em\char'27\kern-.3em C}} -\def\degF{\mbox{\kern-.2em\char'27\kern-.3em F}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} - -% \begin{macro}{\yubin} -% \begin{macro}{\Yubin} -% -% \begin{macrocode} -% ******************* -% * yubin and Yubin * -% ******************* -% After Chapter 12 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -\def\yubin{$\overline{\top}$} -\def\Yubin#1{\leavevmode\hbox{\vbox{\hrule\@height.12ex\@width.7em -\kern.28ex\hrule\@height.12ex\@width.7em -\hbox{\kern.35em\kern-.06ex -\vbox{\hrule\@height1ex\@width.12ex}}}\kern.1em{#1}}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\xlethead} -% -% \begin{macrocode} -% *********** -% * lethead * -% *********** -% After Chapter 18 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -\def\xlethead#1{% - \kern-.6667\baselineskip \line{\hrulefill\phantom{ #1 }\hrulefill} - \kern-.6667\baselineskip \line{\hrulefill\phantom{ #1 }\hrulefill} - \kern-.6667\baselineskip \line{\hrulefill\hbox{ #1 }\hrulefill}} -\def\lethead#1#2#3{\def\line{\hbox to\textwidth} - \vbox{\line{\hrulefill} - \xlethead{#1} \xlethead{#2} \xlethead{#3} - \kern-.6667\baselineskip \line{\hrulefill}}} -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\horizon} -% -% \begin{macrocode} -% ************ -% * baseline * -% ************ -% After Chapter 12 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -\def\horizon{\rule{12pt}{0.1pt}} -% \end{macrocode} -% \end{macro} -% -% \section{Logos} -% -% \begin{macro}{\resetfontsize} -% \begin{macro}{\Bib} -% \begin{macro}{\BibTeX} -% \begin{macro}{\jBibTeX} -% -% \begin{macrocode} -% ******************************** -% * Redefinition of Logos * -% * January 3, 1993 by S. Fujita * -% ******************************** -% After Chapter 12 of ``LaTeX for (Bio)Chemists'' by Shinsaku Fujita -\newcount\TestCount \def\tmpkern{\kern0pt} -\ifnewl@tex \else -\def\resetfontsize{% - \ifx\@currsize\normalsize% - \def\tmpf@ntsize{% - \load{\footnotesize}{\sf}% - \load{\footnotesize}{\sl}% - \load{\footnotesize}{\bf}% - \def\tmpkern{\kern0.05em}% - \footnotesize}\fi - \ifx\@currsize\scriptsize \let\tmpf@ntsize=\tiny\fi - \ifx\@currsize\footnotesize \let\tmpf@ntsize=\tiny\fi - \ifx\@currsize\small \let\tmpf@ntsize=\scriptsize\fi - \ifx\@currsize\large \let\tmpf@ntsize=\small\fi - \ifx\@currsize\Large \let\tmpf@ntsize=\@normalsize\fi - \ifx\@currsize\LARGE \let\tmpf@ntsize=\large\fi - \ifx\@currsize\huge \let\tmpf@ntsize=\Large\fi - \ifx\@currsize\Huge \let\tmpf@ntsize=\LARGE\fi} -\fi -% \end{macrocode} -% -% \begin{macrocode} -\ifnewl@tex \else -\def\Bib{\ifnum \fam=\m@ne \fam=\z@ \fi\TestCount=\fam\leavevmode% - \edef\aaa{\fontname\scriptfont\fam}% - \edef\bbb{\fontname\textfont\fam}% - \resetfontsize% - \hbox{$\fam=\TestCount\textstyle B$}% - \ifx\aaa\bbb% - \hbox{\tmpf@ntsize\bf - $\fam=\TestCount\kern-.025em I\kern-.045em B$}% - \else% - \hbox{$\fam\TestCount\scriptstyle\kern-.025em I\kern-.045em B$}% - \fi -} -\fi -% \end{macrocode} -% -% \begin{macrocode} -%\def\BibTeX{\Bib\kern-.08em\TeX} -%\def\jBibTeX{\leavevmode\lower.46ex\hbox{J} -%\kern-.08em\Bib\kern-.08em\TeX} -% %%\def\BibTeX{% -% {\rm B\kern-.05em{\sc i\kern-.025emb}\kern-.08em\TeX}} -% %%%%%1996/04/20 by Shinsaku Fujita%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\ifnewl@tex -\DeclareRobustCommand{\BibTeX}{% - B\hbox{$\m@th$\csname S@\f@size\endcsname - \fontsize\sf@size\z@ \math@fontsfalse\selectfont - \kern-.025em I\kern-.045em B}\kern-.08em\TeX} -\else \def\BibTeX{\Bib\kern-.08em\TeX} \fi -% \end{macrocode} -% -% \begin{macrocode} -\ifnewl@tex -\DeclareRobustCommand{\jBibTeX}{\mbox{% - \if b\expandafter\@car\f@series\@nil\boldmath\fi - \leavevmode\lower.46ex\hbox{J}\kern-.08em\BibTeX}} -\else -\def\jBibTeX{\leavevmode\lower.46ex\hbox{J}% - \kern-.08em\Bib\kern-.08em\TeX} -\fi -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\jTeX} -% \begin{macro}{\pTeX} -% -% \begin{macrocode} -\def\jTeX{\leavevmode\lower.46ex\hbox{J}\kern-.15em\TeX} -\def\pTeX{p\kern-.15em\TeX} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\Sub} -% \begin{macro}{\Subbib} -% -% \begin{macrocode} -\ifnewl@tex \else -\def\Sub{\leavevmode\ifnum \fam=\m@ne \fam=\z@ \fi% - \TestCount=\fam{S}% - \edef\aaa{\fontname\scriptfont\fam}% - \edef\bbb{\fontname\textfont\fam}% - \ifx\aaa\bbb\resetfontsize% - \hbox{\tmpf@ntsize\bf% - $\fam=\TestCount\kern-.045em{U}\kern-.12em{B}$}% - \else% - \hbox{$\fam\TestCount% - \scriptstyle\kern-.045em{U}\kern-.12em{B}$}% - \fi} -\fi -%\def\SubBib{\Sub\kern-.08em\Bib} -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%1996/04/20 by Shinsaku Fujita%%%%%%%%%%%%%%%%%%%%%%%%%%% -\ifnewl@tex -\DeclareRobustCommand{\SubBib}{S\hbox{$\m@th$% - \csname S@\f@size\endcsname\fontsize\sf@size\z@ - \math@fontsfalse\selectfont% - \kern-.045em{U}\kern-.12em{B}}B\hbox{$\m@th$% - \csname S@\f@size\endcsname\fontsize\sf@size\z@ - \math@fontsfalse\selectfont \kern-.025em I\kern-.045em B}} -\else \def\SubBib{\Sub\kern-.08em\Bib} \fi -% \end{macrocode} -% \end{macro} -% \end{macro} - -% \begin{macro}{\La} -% \begin{macro}{\LaTeX} -% -% \begin{macrocode} -%\def\La{\TestCount=\fam \leavevmode L\raise.42ex -% \hbox{$\fam\TestCount\scriptstyle\kern-.3em A$}} -\ifnewl@tex \else -\def\La{\ifnum \fam=\m@ne \fam=\z@ \fi\TestCount=\fam% - \edef\aaa{\fontname\scriptfont\fam}% - \edef\bbb{\fontname\textfont\fam}\leavevmode{L}% - \ifx\aaa\bbb \resetfontsize% - \raise.46ex\hbox{{\tmpf@ntsize\bf% - $\fam\TestCount\kern-.4em\tmpkern{A}$}}% - \else% - \raise.42ex\hbox{$\fam\TestCount\scriptstyle\kern-.3em{A}$}% - \fi} -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%1996/04/20 by Shinsaku Fujita%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -%\def\LaTeX{\La\kern-.15em\TeX} -\ifnewl@tex \else \def\LaTeX{\La\kern-.15em\TeX}\fi -% \end{macrocode} -% -% \begin{macrocode} -%\def\jLaTeX{\leavevmode\lower.46ex\hbox{J}\kern-.08em\LaTeX} -\ifnewl@tex - \DeclareRobustCommand{\jLaTeX}% - {\leavevmode\lower.46ex\hbox{J}\kern-.08em\LaTeX} -\else - \def\jLaTeX{\leavevmode\lower.46ex\hbox{J}\kern-.08em\LaTeX} -\fi -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\PiC} -% \begin{macro}{\PiCTeX} -% -% \begin{macrocode} -\def\PiC{P\kern-.12em\lower.5ex\hbox{I}\kern-.075emC} -% \end{macrocode} -% -% \begin{macrocode} -%\def\PiCTeX{\PiC\kern-.11em\TeX} -\ifnewl@tex -\DeclareRobustCommand{\PiCTeX}{\PiC\kern-.11em\TeX} -\else -\def\PiCTeX{\PiC\kern-.11em\TeX} -\fi -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\tpic} -% \begin{macro}{\PiCTeX} -% -% \begin{macrocode} -%\def\tpic{\TestCount=\fam \leavevmode T% -% \hbox{$\fam\TestCount\scriptstyle -%\kern-.025em P\kern-.025em I\kern-.025emC$}} -\ifnewl@tex -\DeclareRobustCommand{\tpic}{T\hbox{$\m@th$% - \csname S@\f@size\endcsname\fontsize\sf@size\z@ - \math@fontsfalse\selectfont - \kern-.025em P\kern-.025em I\kern-.025emC}} -\else -\def\tpic{\ifnum \fam=\m@ne \fam=\z@ \fi% - \TestCount=\fam \leavevmode% - \edef\aaa{\fontname\scriptfont\fam}% - \edef\bbb{\fontname\textfont\fam}% - \resetfontsize\hbox{$\fam=\TestCount\textstyle T$}% - \ifx\aaa\bbb\hbox{\tmpf@ntsize\bf$\fam=\TestCount% - \kern-.025em P\kern-.025em I\kern-.025emC$}\else% - \hbox{$\fam\TestCount\scriptstyle% - \kern-.025em P\kern-.025em I\kern-.025emC$}\fi} -\fi -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\Post} -% \begin{macro}{\Script} -% \begin{macro}{\PostScript} -% -% \begin{macrocode} -\ifnewl@tex \else -\def\Post{\ifnum \fam=\m@ne \fam=\z@ \fi% - \TestCount=\fam\leavevmode% - \edef\aaa{\fontname\scriptfont\fam}% - \edef\bbb{\fontname\textfont\fam}% - \resetfontsize% - \hbox{$\fam=\TestCount\textstyle P$}% - \ifx\aaa\bbb% - \hbox{\tmpf@ntsize\bf% - $\fam=\TestCount\kern-.045em O\kern-.015em ST$}% - \else% - \hbox{$\fam\TestCount% - \scriptstyle\kern-.045em O\kern-.015em ST$}% - \fi} -% \end{macrocode} -% -% \begin{macrocode} -\def\Script{\ifnum \fam=\m@ne \fam=\z@ \fi% - \TestCount=\fam\leavevmode% - \edef\aaa{\fontname\scriptfont\fam}% - \edef\bbb{\fontname\textfont\fam}% - \resetfontsize% - \hbox{$\fam=\TestCount\textstyle S$}% - \ifx\aaa\bbb% - \hbox{\tmpf@ntsize\bf$\fam=\TestCount\kern-.035em % - C\kern-.015em R\kern-.015em IP\kern-.035em T$}% - \else% - \hbox{$\fam\TestCount\scriptstyle\kern-.035em % - C\kern-.015em R\kern-.015em IP\kern-.035em T$}% - \fi} -\fi -% \end{macrocode} -% -% \begin{macrocode} -%\def\PostScript{\Post\Script} -% %%%%%1996/04/20 by Shinsaku Fujita%%%%%%%%%%%%%%%%%%%%%%%%%%% -\ifnewl@tex -\DeclareRobustCommand{\PostScript}{P\hbox{$\m@th$% - \csname S@\f@size\endcsname\fontsize\sf@size\z@ - \math@fontsfalse\selectfont - \kern-.045em O\kern-.015em ST}S\hbox{$\m@th$% - \csname S@\f@size\endcsname\fontsize\sf@size\z@ - \math@fontsfalse\selectfont - \kern-.035em C\kern-.015em R\kern-.015em IP\kern-.035em T}} -\else -\def\PostScript{\Post\Script} -\fi -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \section{Double and triple bonds} -% -% \begin{macro}{\triplebond} -% \begin{macro}{\doublebond} -% \begin{macro}{\tbond} -% \begin{macro}{\dbond} -% -% \begin{macrocode} -% ***************** -% * 二重 三重結合 * -% ***************** -\def\triplebond{\leavevmode\kern.2pt\raisebox{.2ex}{% -\hbox{\vbox{\hrule height.03ex width1em\kern.4ex -\hrule height.03ex width1em\kern.4ex -\hrule height.03ex width1em}}}\hskip.4pt} -\def\doublebond{\leavevmode\kern.2pt\raisebox{.3ex}{% -\hbox{\vbox{\hrule height.03ex width1em\kern.6ex -\hrule height.03ex width1em}}}\hskip.4pt} -\let\tbond=\triplebond -\let\dbond=\doublebond -% -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \Finale -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/chemist.ins b/Master/texmf-dist/source/latex/xymtex/chemist.ins deleted file mode 100644 index f43ac6a0280..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/chemist.ins +++ /dev/null @@ -1,53 +0,0 @@ -\def\batchfile{chemist.ins} -\input docstrip.tex -\preamble - -This is a generated file. - -Copyright 1996, 2000 by Shinsaku Fujita - -This file is part of the ChemSci system. -======================================= - -Released on June 1, 1996 -Released on November 3, 2000 (v2.00a) - -Copyright (C) 1996 by Shinsaku Fujita, all rights reserved. -This style file is created for submitting a manuscript to -scientific journals. This style file is to be contained in the -``chemist'' directory which is an input directory for TeX. - -For using this file, see - Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' - Tokyo Kagaku Dojin, Tokyo (1993), Chapter 16. - -Copying of this file is authorized only if either - - (1) you make absolutely no changes to your copy, including name and - directory name - (2) if you do make changes, - (a) you name it something other than the names included in the - ``chemist'' directory and - (b) you acknowledge the original name. - This restriction ensures that all standard styles are identical. - -======================================= - -This file is a modification of latex.tex (LaTeX2.09) and of latex.ltx -(a LaTeX2e), the reused parts of which is subject to -Copyright 1994 the LaTeX3 project and the individual authors (For further -copyright information see the file legal.txt of the LaTeX2e standard -distribution, and any other copyright indicated in this file.) - -\endpreamble - -\keepsilent - -\generateFile{chemist.drv}{t}{% - \from{chemist.dtx}{driver}} - -\generateFile{chemist.sty}{t}{% - \from{chemist.dtx}{chemist}} - -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/chemstr.drv b/Master/texmf-dist/source/latex/xymtex/chemstr.drv deleted file mode 100644 index c9832eaad5a..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/chemstr.drv +++ /dev/null @@ -1,82 +0,0 @@ -%% -%% This is file `chemstr.drv', -%% generated with the docstrip utility. -%% -%% The original source files were: -%% -%% chemstr.dtx (with options: `driver') -%% -%% This is a generated file. -%% -%% Copyright 1996, 1988 by Shinsaku Fujita -%% -%% This file is part of the XyMTeX system. -%% ======================================= -%% -%% Version 1.01 Released on August 16, 1996 -%% Version 1.02 Released on October 31, 1998 (private version) -%% Version 2.00 Released on December 25, 1998 -%% -%% Copyright (C) 1996, 1998 by Shinsaku Fujita, all rights reserved. -%% This style file is created for drawing chemical structural formulas -%% This style file is to be contained in the ``xymtex'' directory which -%% is an input directory for TeX. -%% -%% Copying of this file is authorized only if either -%% -%% (1) you make absolutely no changes to your copy, including name and -%% directory name -%% (2) if you do make changes, -%% (a) you name it something other than the names included in the -%% ``xymtex'' directory and -%% (b) you acknowledge the original name. -%% This restriction ensures that all standard styles are identical. -%% -%% ======================================= -%% -%% This file contains several codes modified from latex.tex (LaTeX2.09) -%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -%% Copyright 1994 the LaTeX3 project and the individual authors (For further -%% copyright information see the file legal.txt of the LaTeX2e standard -%% distribution, and any other copyright indicated in this file.) -%% -%% File: chemstr.dtx -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -\NeedsTeXFormat{pLaTeX2e} -\ProvidesFile{chemstr.dtx}[1998/12/25 v2.00 XyMTeX{} package file] -\documentclass{ltxdoc} -\GetFileInfo{chemstr.dtx} -\def\UPSILON{\char'7} -\def\XyM{X\kern-.30em\smash{% -\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}} -\def\XyMTeX{\XyM\kern-.1em\TeX} -\title{Basic Commands for Drawing Chemical Structures -by {\sffamily chemstr.sty} -(\fileversion) of \XyMTeX{}} -\author{Shinsaku Fujita \\ -Department of Chemistry and Materials Technology, \\ -Kyoto Institute of Technology, \\ -Matsugasaki, Sakyoku, Kyoto, 606 Japan -} -\date{\filedate} -\begin{document} - \maketitle - \DocInput{chemstr.dtx} -\end{document} -\endinput -%% -%% End of file `chemstr.drv'. diff --git a/Master/texmf-dist/source/latex/xymtex/chemstr.dtx b/Master/texmf-dist/source/latex/xymtex/chemstr.dtx deleted file mode 100644 index 0bab3fdb3ea..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/chemstr.dtx +++ /dev/null @@ -1,8567 +0,0 @@ -% \iffalse meta-comment -%% File: chemstr.dtx -% -% Copyright 1993,1996,1998 by Shinsaku Fujita -% -% This file is part of XyMTeX system. -% ------------------------------------- -% -% This file is a successor to: -% -% chemstr.sty -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 1.00} -% \typeout{ -- Released December 1, 1993 by Shinsaku Fujita} -% Copyright (C) 1993 by Shinsaku Fujita, all rights reserved. -% -% This file is a part of the macro package ``XyMTeX'' which has been -% designed for typesetting chemical structural formulas. -% -% This file is to be contained in the ``xymtex'' directory which is -% an input directory for TeX. It is a LaTeX optional style file and -% should be used only within LaTeX, because several macros of the file -% are based on LaTeX commands. -% -% For the review of XyMTeX, see -% (1) Shinsaku Fujita, ``Typesetting structural formulas with the text -% formatter TeX/LaTeX'', Computers and Chemistry, in press. -% The following book deals with an application of TeX/LaTeX to -% preparation of manuscripts of chemical fields: -% (2) Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' -% Tokyo Kagaku Dozin, Tokyo (1993) [in Japanese]. -% -% Copying of this file is authorized only if either -% (1) you make absolutely no changes to your copy, including name and -% directory name; or -% (2) if you do make changes, -% (a) you name it something other than the names included in the -% ``xymtex'' directory and -% (b) you are requested to leave this notice intact. -% This restriction ensures that all standard styles are identical. -% -% Please report any bugs, comments, suggestions, etc. to: -% Shinsaku Fujita, -% Ashigara Research Laboratories, Fuji Photo Film Co., Ltd., -% Minami-Ashigara, Kanagawa-ken, 250-01, Japan. -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% -% Bug Fix: -% 1993/11/14 S. Fujita -% A and B are interchanged. -% a and b are interchanged. -% -% \def\j@urnalname{chemstr} -% \def\versi@ndate{December 01, 1993} -% \def\versi@nno{ver1.00} -% \def\copyrighth@lder{SF}% % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% -% \typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 1.01} -% \typeout{ -- Released August 16, 1996 by Shinsaku Fujita} -% \def\j@urnalname{chemstr} -% \def\versi@ndate{August 16, 1996} -% \def\versi@nno{ver1.01} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% -% New address: -% Shinsaku Fujita, -% Department of Chemistry and Materials Technology, -% Kyoto Institute of Technology, \\ -% Matsugasaki, Sakyoku, Kyoto, 606 Japan -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{chemstr} -% \def\versi@ndate{October 31, 1998} -% \def\versi@nno{ver1.02} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% -% \fi -% -% \CheckSum{13300} -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -% -% \setcounter{StandardModuleDepth}{1} -% -% \StopEventually{} -% \MakeShortVerb{\|} -% -% \iffalse -% \changes{v1.01}{1996/06/26}{first edition for LaTeX2e} -% \changes{v1.02}{1998/10/31}{revised edition for LaTeX2e} -% \changes{v2.00}{1998/12/25}{enhanced edition for LaTeX2e} -% \fi -% -% \iffalse -%<*driver> -\NeedsTeXFormat{pLaTeX2e} -% \fi -\ProvidesFile{chemstr.dtx}[1998/12/25 v2.00 XyMTeX{} package file] -% \iffalse -\documentclass{ltxdoc} -\GetFileInfo{chemstr.dtx} -% -% %%XyMTeX Logo: Definition 2%%% -\def\UPSILON{\char'7} -\def\XyM{X\kern-.30em\smash{% -\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}} -\def\XyMTeX{\XyM\kern-.1em\TeX} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\title{Basic Commands for Drawing Chemical Structures -by {\sffamily chemstr.sty} -(\fileversion) of \XyMTeX{}} -\author{Shinsaku Fujita \\ -Department of Chemistry and Materials Technology, \\ -Kyoto Institute of Technology, \\ -Matsugasaki, Sakyoku, Kyoto, 606 Japan -% % (old address) -% % Ashigara Research Laboratories, -% % Fuji Photo Film Co., Ltd., \\ -% % Minami-Ashigara, Kanagawa, 250-01 Japan -} -\date{\filedate} -% -\begin{document} - \maketitle - \DocInput{chemstr.dtx} -\end{document} -% -% \fi -% -% \section{Introduction}\label{chemstr:intro} -% -% \subsection{Options for {\sffamily docstrip}} -% -% \DeleteShortVerb{\|} -% \begin{center} -% \begin{tabular}{|l|l|} -% \hline -% \emph{option} & \emph{function}\\ \hline -% chemstr & chemstr.sty \\ -% driver & driver for this dtx file \\ -% \hline -% \end{tabular} -% \end{center} -% \MakeShortVerb{\|} -% -% \subsection{Version Information} -% -% \begin{macrocode} -%<*chemstr> -\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00} -\typeout{ -- Released December 25, 1998 by Shinsaku Fujita} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\def\j@urnalname{chemstr} -\def\versi@ndate{December 25, 1998} -\def\versi@nno{ver2.00} -\def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>% -\space[\copyrighth@lder]} -% \end{macrocode} -% -% \section{List of commands for chemstr.sty} -% -% \begin{verbatim} -% ********************************* -% * chemstr.sty: list of commands * -% ********************************* -% -% -% -% \@forsemicol -% \@forl@@p -% \@iforl@@p -% \@m@mb@r -% \twoch@r -% \twoCH@R (terminater //) -% \twoch@@r -% \twoCH@@R (terminater //) -% \threech@r -% \end{verbatim} -% -% \begin{verbatim} -% -% -% \rmoiety -% \lmoiety -% \putlatom -% \putratom -% \putlratom -% \Putlratom -% -% \end{verbatim} -% -% \begin{verbatim} -% -% -% \if@clip \@clipfalse \@cliptrue -% \if@aclip \@aclipfalse \@acliptrue -% \if@bclip \@bclipfalse \@bcliptrue -% \if@cclip \@cclipfalse \@ccliptrue -% \if@eclip \@eclipfalse \@ecliptrue -% \if@fclip \@fclipfalse \@fcliptrue -% \iforigpt \origptfalse \origpttrue -% \@tmpaa (counter) -% -% -% \@yl -% \yl@xdiff \yl@ydiff -% \yl@shiftii -% \yl@shifti -% \@ylii -% \@yli -% \@@ylii -% \@@yli -% -% -% \fuseAx \fuseAy -% \fuseBx \fuseBy -% -% \end{verbatim} -% -% \begin{verbatim} -% -% Substitution -% -% \@substa -% \@substb -% \@substc -% \@substd -% \@subste -% \@substf -% -% \end{verbatim} -% -% \begin{verbatim} -% Setting of atoms and bonds -% -% \setsixringv (on a vertical six-membered ring) -% \setdecaringv (on a decaline (six-six) ring) -% \setfusedbond (at fused bond positions) -% \if@clipfuse \@clipfusefalse \@clipfusetrue -% \setatombond (at an appropiate position) -% -% Placing structures as substituents -% \ylposition -% \ylfusedpostion -% \ylatombondposition -% -% \end{verbatim} -% -% \begin{verbatim} -% -% Substitution -% -% \@hsubsta -% \@hsubstb -% \@hsubstc -% \@hsubstd -% \@hsubste -% \@hsubstf -% -% \end{verbatim} -% -% \begin{verbatim} -% Setting of atoms and bonds -% -% \setsixringh (on a horizontal six-membered ring) -% -% Placing structures as substituents -% -% \ylpositionh -% -% \end{verbatim} -% -% \begin{verbatim} -% -% -% \ryl (right linking unit) -% \lyl (left linking unit) -% -% -% -% \set@fusionadd@sixv \set@fusion@sixv -% \set@fusionadd@sixvi \set@fusion@sixvi -% \set@fusionadd@sixh \set@fusion@sixh -% \set@fusionadd@sixhi \set@fusion@sixhi -% -% \set@fusion@decav -% \set@fusion@decavb -% \set@fusion@decavt -% \set@fusion@decah -% -% \set@fusion@hanthrav -% \set@fusion@hphenanv -% -% \set@fusionadd@fivev \set@fusion@fivev -% \set@fusionadd@fivevi \set@fusion@fivevi -% \set@fusionadd@fiveh \set@fusion@fiveh -% \set@fusionadd@fivehi \set@fusion@fivehi -% -% \set@fusion@nonav \set@fusion@nonavi -% \set@fusion@nonah \set@fusion@nonahi -% \end{verbatim} -% -% \section{Initialization and conventions} -% \subsection{Logos} -% -% The logo of \XyMTeX{} is defined in two ways. The first definition uses -% the \verb/\fam/ command, which sometimes shows unusual behavior. The -% second definition is adopted in the present version of \XyMTeX{}, since -% this aims at the compatibility to \LaTeXe{}. -% -% \begin{macro}{\XyMTeX} -% \begin{macrocode} -% *************** -% * XyMTeX Logo * -% *************** -% %%XyMTeX Logo: Definition 1%%% -%\newcount\TestCount -%\def\XyM{\ifnum\fam=-1\relax\fam=0\relax\fi\TestCount=\fam% -%X\kern-.30em\smash{\raise.50ex\hbox{$\fam\TestCount\Upsilon$}}% -%\kern-.30em{M}} -%\def\XyMTeX{\XyM\kern-.1em\TeX} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \end{macrocode} -% -% \begin{macrocode} -% %%XyMTeX Logo: Definition 2%%% -\def\UPSILON{\char'7} -\def\XyM{X\kern-.30em\smash{\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}} -\def\XyMTeX{\XyM\kern-.1em\TeX} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \end{macrocode} -% \end{macro} -% -% \subsection{Macros for treating argumets} -% -% For separating each argument (BONDLIST, SUBSLIST or ATOMLIST) into -% components (descriptors), we define several useful macros. -% -% \begin{macro}{\@forsemicol} -% \begin{macro}{\@forl@@p} -% \begin{macro}{\@iforl@@p} -% -% The macro |\@forsemicol| resembles the |\@for| macro that is -% the \LaTeX{} original macro; however a semicolon is used as -% a separating key in place of a comma. -% -% \changes{v1.01}{1996/07/06}{\cs{@forsemicol}: \cs{edef} -% to \cs{expandafter}} -% \changes{v1.01}{1996/07/06}{\cs{@iforl@@p} replaced by -% a LaTeX2e-like definitiion} -% -% \begin{macrocode} -% **************************************************** -% * For separating an augument list to each argument * -% **************************************************** -% -\def\@forsemicol#1:=#2\do#3{% -% \edef\@fortmp{#2}%1996/07/06 by S. Fujita - \expandafter\def\expandafter\@fortmp\expandafter{#2}% - \ifx\@fortmp\@empty \else% - \expandafter\@forl@@p#2;\@nil;\@nil\@@#1{#3}\fi} -\long\def\@forl@@p#1;#2;#3\@@#4#5{\def#4{#1}\ifx #4\@nnil \else% - #5\def#4{#2}\ifx #4\@nnil \else#5\@iforl@@p #3\@@#4{#5}\fi\fi} -\long\def\@iforl@@p#1;#2\@@#3#4{\def#3{#1}\ifx #3\@nnil% - \expandafter\@fornoop \else - #4\relax\expandafter\@iforl@@p\fi#2\@@#3{#4}} -%\def\@iforl@@p#1;#2\@@#3#4{\def#3{#1}\ifx #3\@nnil% -% \let\@nextwhile=\@fornoop \else% -% #4\relax\let\@nextwhile=\@iforl@@p\fi\@nextwhile#2\@@#3{#4}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% -% -% The macro |\@m@mb@r| separates a character string into to portions -% by using a double equality symbol (|==|) and a semicolon as delimiters. -% The first potion consists of a locant number and a bond modifier (stored -% in |\@membera|), which are further separated by the macro |\twoch@r|, -% |\twoch@@r| or |\threech@r|. -% The second potion shows a substituent (stored in |\@memberb|), -% which is printed by means of an appropiate command. -% -% \begin{macro}{\@m@mb@r} -% \begin{macro}{\twoch@r} -% \begin{macro}{\twoch@@r} -% \begin{macro}{\threech@r} -% \begin{macrocode} -\def\@m@mb@r#1==#2;{\gdef\@membera{#1}\gdef\@memberb{#2}} -\def\twoch@r#1#2{\gdef\@tmpa{#1}\gdef\@tmpb{#2}} -\def\twoch@@r#1#2{\gdef\@@tmpa{#1}\gdef\@@tmpb{#2}} -\def\threech@r#1#2#3{\gdef\@tmpa{#1}\gdef\@tmpb{#2}\gdef\@tmpc{#3}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The following two commands are added to treat spiro fusion. -% \changes{v2.00}{1998/11/15}{Added for spiro fusion} -% -% \begin{macro}{\twoCH@R} -% \begin{macro}{\twoCH@@R} -% \begin{macrocode} -\def\twoCH@@R#1#2//{\gdef\@@tmpa{#1}\gdef\@@tmpb{#2}} -\def\twoCH@R#1#2//{\gdef\@tmpa{#1}\gdef\@tmpb{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \subsection{Conventions} -% -% Switches for characterizing substitution sites as -% left, right or left-right boxes become effective in -% the commands |\putlatom|, |\putratom| and |\putlratom|. -% They are used for warning wrong or unnecessary usages of -% |\lmoiety| or |\rmoiety|. -% -% \changes{v1.02}{1998/10/20}{Switches \cs{@leftput} added} -% -% \begin{macro}{\if@leftput} -% \begin{macro}{\if@rightput} -% \begin{macro}{\if@leftrightput} -% \begin{macro}{\resetlrput} -% \begin{macrocode} -\newif\if@rightput \@rightputfalse -\newif\if@leftput \@leftputfalse -\newif\if@leftrightput \@leftrightputfalse -\def\resetlrput{\@rightputfalse\@leftputfalse -\@leftrightputfalse} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% We can use the macro |\rmoiety| for drawing a right-hand substituent -% and the macro |\lmoiety| for drawing a left-hand substituent. -% -% \changes{v1.02}{1998/10/20}{The definitions of \cs{rmoiety} and -% \cs{lmoiety} are changed. Warning function is added.} -% -% When you use a |\rmoiety| command in a left box produced by -% a |\putlatom| command, the warning ``Wrong |\rmoiety|'' is reported. -% When you use a |\lmoiety| command in a right box produced by -% a |\putratom| command, the warning ``Wrong |\lmoiety|'' is reported. -% If the ``draft'' option is effective, these cases are designated by -% solid squares at the corresponding positions on pages. -% -% \begin{macro}{\rmoiety} -% \begin{macro}{\lmoiety} -% \begin{macrocode} -% ************** -% * Convention * -% ************** -% %\def\rmoiety#1{#1 \hss} -% %\def\lmoiety#1{\hss #1} -\def\rmoiety#1{\if@leftput -\XyMTeXWarning{Wrong \string\rmoiety\space used in a left box}% -\hbox to0pt{% -\hbox to0pt{\hss\vrule width\overfullrule height\overfullrule}#1\hss}% -\else\if@rightput\XyMTeXWarning{Unnecessary \string\rmoiety\space -used in a right box}\hbox to0pt{#1\hss}% -\else\if@leftrightput\hbox to0pt{#1\hss}% -\fi\fi\fi\resetlrput} -\def\lmoiety#1{\if@rightput -\XyMTeXWarning{Wrong \string\lmoiety\space used in a right box}% -\hbox to0pt{\hss#1\kern-.72em% -\hbox to0pt{\vrule width\overfullrule height\overfullrule\hss}}\else -\if@leftput\XyMTeXWarning{Unnecessary \string\lmoiety\space -used in a left box}\hbox to0pt{\hss#1}% -\else\if@leftrightput\hbox to0pt{\hss#1\kern-.72em}% -\else\hbox to0pt{\hss#1\kern-.72em}\fi\fi\fi\resetlrput} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% Warnings from \XyMTeX{} are concerned with commands -% |\rmoiety| and |\lmoiety|. -% -% \begin{macro}{\XyMTeXWarning} -% \begin{macrocode} -\def\XyMTeXWarning#1{% -\begingroup - \let\protect\string - \immediate\write\@unused{^^IXyMTeX Warning: #1\space - on input line \the\inputlineno^^I}% -\endgroup} -% \end{macrocode} -% \end{macro} -% -% Warnings concerned with ring fusion are based on -% the command |\FuseWarning| of \XyMTeX{}. -% \changes{v2.00}{1998/11/15}{Warning function is added.} -% -% \begin{macro}{\@cnttempa} -% \begin{macro}{\@cnttempb} -% \begin{macro}{\FuseWarning} -% \begin{macrocode} -\newcount\@cnttempa -\newcount\@cnttempb -\def\FuseWarning#1#2#3#4#5#6#7{% -\@tempcnta=#1 \@tempcntb=#2 -\@cnttempa=#3 \advance\@cnttempa-#5 -\@cnttempb=#4 \advance\@cnttempb-#6 -\ifnum\@tempcnta=\@cnttempa - \ifnum\@tempcntb=\@cnttempb\else - \XyMTeXWarning{Mismatched fusion at bond `#7'}% - \fi -\else - \XyMTeXWarning{Mismatched fusion at bond `#7'}% -\fi} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The original \LaTeX{} command |\put| is changed into macros suitable to -% more specific uses as follows. -% -% \changes{v1.02}{1998/10/20}{The definition is changed. Warning function -% for \cs{rmoiety} is added.} -% -% \begin{macro}{\putlatom} -% \begin{macrocode} -% %\def\putlatom#1#2#3{\put(#1,#2){\hbox to0pt{\hss #3}}} -\def\putlatom#1#2#3{\begingroup\resetlrput -\put(#1,#2){\@leftputtrue\hbox to0pt{\hss #3}\@leftputfalse}\endgroup} -% \end{macrocode} -% \end{macro} -% -% \changes{v1.02}{1998/10/20}{The definition is changed. Warning function -% for \cs{lmoiety} is added.} -% -% \begin{macro}{\putratom} -% \begin{macrocode} -%\def\putratom#1#2#3{\put(#1,#2){\hbox to0pt{#3 \hss}}} -\def\putratom#1#2#3{\begingroup\resetlrput -\put(#1,#2){\@rightputtrue\hbox to0pt{#3 \hss}\@rightputfalse}\endgroup} -% \end{macrocode} -% \end{macro} -% -% \changes{v1.02}{1998/10/20}{The definition is changed. Warning function -% for \cs{lmoiety} and \cs{rmoiety|} is added.} -% -% \begin{macro}{\putlratom} -% \begin{macrocode} -\def\putlratom#1#2#3{\begingroup\resetlrput -\put(#1,#2){\@leftrightputtrue\hbox to.72em{#3\hss}}% -\@leftrightputfalse\endgroup} -% \end{macrocode} -% \end{macro} -% -% \changes{v1.01b}{1998/10/06}{\cs{putlratom}: delete \sc{setbox0}} -% \changes{v1.02}{1998/10/20}{The old definition is -% totally replaced by the new definition} -% -% \begin{verbatim} -% % old definitions -% % \begin{macrocode} -% % changed to avoid Overfull warnings 1993/11/11/S.Fujita -% % \newif\if@moiety \@moietyfalse -% % \def\putlratom#1#2#3{% -% % \def\lmoiety##1{\global\@moietytrue}% -% % \setbox0=\hbox{#3}%deleted by S. Fujita -% % \if@moiety\def\lmoiety##1{\hss ##1}% -% % \put(#1,#2){\hbox to.72em{#3}}\global\@moietyfalse -% % \else\put(#1,#2){\hbox to.6em{#3\hss}}\fi}% -% % \def\putlratom#1#2#3{\put(#1,#2){\hbox to.6em{#3}}} -% % \end{macrocode} -% \end{verbatim} -% -% \begin{macro}{\Putlratom} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \begin{macrocode} -\def\Putlratom#1#2#3{\put(#1,#2){\hbox to.8em{#3}}} -% \end{macrocode} -% \end{macro} -% -% \subsection{Parameters} -% -% The original point for drawing a structural formula is shifted to an -% appropriate position, which is designated by the following parmeters -% (counters) for coordinates. -% -% -% \begin{macro}{\noshift} -% \begin{macro}{\shifti} -% \begin{macro}{\shiftii} -% \begin{macro}{\shiftiii} -% \begin{macrocode} -% ******************************* -% * Parameters for Coordinates * -% ******************************* -\newcount\noshift \noshift=0\relax% -\newcount\shifti \shifti=240\relax% -\newcount\shiftii \shiftii=400\relax% -\newcount\shiftiii \shiftiii=800\relax% -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The unit length for \XyMTeX{} is selected to be 0.1pt. This value -% should not be maintained as possible as you can. A smaller value -% may disapper a sloped line of short length. -% \begin{macrocode} -\unitlength.1pt% -% \end{macrocode} -% -% Parameters for ring fusion are used in fusering.sty. -% \changes{v2.00}{1999/2/16}{This has been added to process the old XyMTeX -% manual for Version 1.01} -% -% \begin{macro}{\fuseAx} -% \begin{macro}{\fuseBx} -% \begin{macro}{\fuseAy} -% \begin{macro}{\fuseBy} -% \begin{macrocode} -\def\fuseAx{0} -\def\fuseBx{0} -\def\fuseAy{0} -\def\fuseBy{0} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \subsection{Various switchs} -% -% These macros are used for clipping spaces at substitution positions. -% Note that |\if@clip| is used in place of |\if@dclip|. -% -% \begin{macro}{\if@clip} -% \begin{macro}{\if@aclip} -% \begin{macro}{\if@bclip} -% \begin{macro}{\if@cclip} -% \begin{macro}{\if@eclip} -% \begin{macro}{\if@fclip} -% \begin{macro}{\iforigpt} -% \begin{macro}{\@tmpaa} -% \begin{macrocode} -% *************************************** -% * various flags (switches) * -% * treatment of substitution positions * -% *************************************** -% -% for 6- or lower-membered cycles -% -\newif\if@clip \@clipfalse% % switch for clipping at 4 -\newif\if@aclip \@aclipfalse% % switch for clipping at 1 -\newif\if@bclip \@bclipfalse% % switch for clipping at 2 -\newif\if@cclip \@cclipfalse% % switch for clipping at 3 -\newif\if@eclip \@eclipfalse% % switch for clipping at 5 -\newif\if@fclip \@fclipfalse% % switch for clipping at 6 -\newif\iforigpt \origptfalse% % switch for showing the original point -\newcount\@tmpaa% -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\if@gclip} -% \begin{macro}{\if@hclip} -% \begin{macro}{\if@iclip} -% \begin{macro}{\if@jclip} -% \begin{macrocode} -% -% for further-membered cycles -% -\newif\if@gclip \@gclipfalse% -\newif\if@hclip \@hclipfalse% -\newif\if@iclip \@iclipfalse% -\newif\if@jclip \@jclipfalse% -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \subsection{Various commands and switchs for using substituents} -% -% For drawing a structure as a substituent, the argument (yl) can -% be used. The following commands and counters are used for shifting -% the substituent. -% \changes{v1.02}{1998/10/31}{Commands for setting substituents} -% \changes{v2.00}{1998/12/25}{Added: \cs{reset@yl@xydiff}} -% -% \begin{macro}{\@yl} -% \begin{macro}{\yl@xdiff} -% \begin{macro}{\yl@ydiff} -% \begin{macro}{\yl@shiftii} -% \begin{macro}{\yl@shifti} -% \begin{macro}{\@ylii} -% \begin{macro}{\@yli} -% \begin{macro}{\@@ylii} -% \begin{macro}{\@@yli} -% \begin{macrocode} -\def\@yl{(yl)} -\newcount\yl@xdiff -\newcount\yl@ydiff -\newcount\yl@shiftii -\newcount\yl@shifti -\def\@ylii{0}\def\@yli{0} -\def\@@ylii{}\def\@@yli{} -\def\reset@@yl{\gdef\@@ylii{}\gdef\@@yli{}} -\def\reset@yl@xydiff{\yl@xdiff=0 \yl@ydiff=0\relax} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The following switches are used for shifting the substituent. -% The locant flags such as |\@ylatrue| have been stoped to use. -% \changes{v1.02}{1998/10/11}{Delete \cs{@ylatrue} etc.} -% \changes{v1.02}{1998/10/31}{Commands for setting substituents} -% -% Old definition: -% \begin{macrocode} -% %%%%% \newif\if@yla \@ylafalse -% %%%%% \newif\if@ylb \@ylbfalse -% %%%%% \newif\if@ylc \@ylcfalse -% %%%%% \newif\if@yld \@yldfalse -% %%%%% \newif\if@yle \@ylefalse -% %%%%% \newif\if@ylf \@ylffalse -% \end{macrocode} -% -% \begin{macro}{\if@ylsw} -% \begin{macro}{\if@@ylsw} -% \begin{macrocode} -\newif\if@ylsw \@ylswfalse -\newif\if@@ylsw \@@ylswfalse -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{verbatim} -% Old definition: -% % \begin{macrocode} -% %%%%% \def\@reset@ylsw{\@ylafalse\@ylbfalse\@ylcfalse -% %%%%% \@yldfalse\@ylefalse\@ylffalse\@ylswfalse} -% % \end{macrocode} -% \end{verbatim} -% -% \begin{macro}{\@reset@ylsw} -% \begin{macrocode} -\def\@reset@ylsw{\@ylswfalse\@@ylswfalse} -% \end{macrocode} -% \end{macro} -% -% The further fusion of a three- or four-membered ring at a center bond -% of a six-six or six-five ring is permitted, while that of a five- -% or more-membered ring is not permitted. The macro |\@smallringsw| -% is used for such switching (fusering.sty). -% -% \begin{macro}{\if@smallringsw} -% \begin{macrocode} -\newif\if@smallringsw \@smallringswfalse -% \end{macrocode} -% \end{macro} -% -% \subsection{Initialization} -% -% The |\iniflag| command initializes all of the clipping flags. -% The |\iniatom| command initializes all of the strings of temporary use -% such as |\aaa| and |\bbb|, which are associated with respective -% atom positions. -% The |\resetbdsw| command resets all of the strings of temporary use -% such as |\@aaa| and |\@bbb|, which are associated with respective -% bond positions. -% -% \begin{macro}{\iniflag} -% \begin{macro}{\iniatom} -% \begin{macro}{\resetbdsw} -% \changes{v1.02}{1998/10/25}{Delete \sc{global}} -% -% \begin{macrocode} -% %\def\iniflag{% -% %\global\@aclipfalse\global\@bclipfalse% -% %\global\@cclipfalse\global\@clipfalse\global\@eclipfalse% -% %\global\@fclipfalse\global\@gclipfalse\global\@hclipfalse% -% %\global\@iclipfalse\global\@jclipfalse% -% %\global\@clipfusefalse}% -% %\def\iniatom{% -% %\gdef\aaa{}\gdef\bbb{}\gdef\ccc{}\gdef\ddd{}% -% %\gdef\eee{}\gdef\fff{}% -% %\gdef\ggg{}\gdef\hhh{}\gdef\iii{}\gdef\jjj{}% -% %\gdef\@aaa{}\gdef\@bbb{}\gdef\@ccc{}\gdef\@ddd{}% -% %\gdef\@eee{}\gdef\@fff{}% -% %}% -% %\def\resetbdsw{\gdef\@aaa{a}\gdef\@bbb{b}\gdef\@ccc{c}% -% %\gdef\@ddd{d}\gdef\@eee{e}\gdef\@fff{f}}% -% \end{macrocode} -% -% \begin{macrocode} -\def\iniflag{% -\@aclipfalse\@bclipfalse\@cclipfalse\@clipfalse\@eclipfalse% -\@fclipfalse\@gclipfalse\@hclipfalse% -\@iclipfalse\@jclipfalse\@clipfusefalse% -\global\@smallringswfalse% -}% -\def\iniatom{% -\def\aaa{}\def\bbb{}\def\ccc{}\gdef\ddd{}% -\def\eee{}\def\fff{}% -\def\ggg{}\def\hhh{}\def\iii{}\gdef\jjj{}% -\def\@aaa{}\def\@bbb{}\def\@ccc{}\def\@ddd{}% -\def\@eee{}\def\@fff{}% -\def\@ggg{}\def\@hhh{}\def\@iii{}% -\def\@jjj{}\def\@kkk{}% -}% -\def\resetbdsw{\def\@aaa{a}\def\@bbb{b}\def\@ccc{c}% -\def\@ddd{d}\def\@eee{e}\def\@fff{f}% -\def\@ggg{g}\def\@hhh{h}\def\@iii{i}% -\def\@jjj{j}\def\@kkk{k}% -}% -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% -% At the beginning of \XyMTeX\ processing, we initialize atom -% information by the command |\iniatom|. -% -% \begin{macrocode} -\iniatom -% \end{macrocode} -% -% -% \section{Macros for Vertical formulas} -% \subsection{Placing substituents for vertical formulas} -% -% Such a drawing command as |\setsixringv| uses several inner macros -% for placing substituents with bonds. The first set of inner macros -% are shown as follows. -% -% The command |\ylposition| is to obtain the shift values -% |\@ylii| and |\@yli| which are used for shifting the standard -% point of a substituent. -% The locant flags such as |\@ylatrue| have been stoped to use. -% \changes{v1.02}{1998/10/11}{Delete \cs{@ylatrue} etc.} -% \changes{v1.02}{1998/10/31}{Commands for setting substituents} -% -% \begin{macro}{\ylposition} -% \begin{macrocode} -\def\ylposition#1#2#3#4#5{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}\relax% -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifnum#5<0\relax% -\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax% -\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax\fi -\ifnum\@tmpaa>#3\relax% -\ifnum\@tmpaa<#4\relax% -\ifcase\@tmpaa%0 omit -% \end{macrocode} -% -% The flags |\@lyatrue| etc are not used in a revised edition. -% -% \begin{macrocode} - \or\ifx\aaa\empty - \gdef\@ylii{0}\gdef\@yli{-406}\global\@ylswtrue%\@ylatrue% subst. on 1 - \else - \gdef\@ylii{0}\gdef\@yli{-442}\global\@ylswtrue%\@ylatrue% subst. on 1 - \fi - \or\ifx\bbb\empty - \gdef\@ylii{-171}\gdef\@yli{-303}\global\@ylswtrue%\@ylbtrue% subst. on 2 - \else - \gdef\@ylii{-213}\gdef\@yli{-327}\global\@ylswtrue%\@ylbtrue% subst. on 2 - \fi - \or\ifx\ccc\empty - \gdef\@ylii{-171}\gdef\@yli{-103}\global\@ylswtrue%\@ylctrue% subst. on 3 - \else - \gdef\@ylii{-213}\gdef\@yli{-79}\global\@ylswtrue%\@ylctrue% subst. on 3 - \fi - \or\ifx\ddd\empty - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%\@yldtrue% subst. on 4 - \else - \gdef\@ylii{0}\gdef\@yli{36}\global\@ylswtrue%\@yldtrue% subst. on 4 - \fi - \or\ifx\eee\empty - \gdef\@ylii{171}\gdef\@yli{-103}\global\@ylswtrue%\@yletrue% subst. on 5 - \else - \gdef\@ylii{213}\gdef\@yli{-79}\global\@ylswtrue%\@yletrue% subst. on 5 - \fi - \or\ifx\fff\empty - \gdef\@ylii{171}\gdef\@yli{-303}\global\@ylswtrue%\@ylftrue% subst. on 6 - \else - \gdef\@ylii{213}\gdef\@yli{-327}\global\@ylswtrue%\@ylftrue% subst. on 6 - \fi% -\fi%end of ifcase -\fi\fi\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% -% The |\@substa| command is used for placing a substituent (|\@memberb|) at -% the 1-position (top) of a vertical six-membered ring. The bond linking -% between the substituent and the 1-position is drawn in the light of -% the corresponding bond modifier (|\@tmpc| = Sa, Sb, SA, SB etc.). -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/15}{New bond modifiers: FA, FB, GA, GB, Su, and Sd} -% \begin{macro}{\@substa} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 1 % -% %%%%%%%%%%%%%%% -\def\@substa{% -\if@aclip% %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(0,436){\line(0,1){110}}% % single bond at 1 - \putlratom{-31}{563}{\@memberb}% % left or right type - \else\if\@tmpc B%(B) beta - \yl@xdiff=-36\relax - \yl@ydiff=-27\relax - \putlatom{-42}{563}{\@memberb}% % left type - {% - \thicklines% - \put(-18,436){\line(-3,5){60}}% % single bond at 1 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=37\relax - \yl@ydiff=-27\relax - \putratom{41}{563}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(18,436){\line(3,5){60}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(18,436)(72,526)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=36\relax - \yl@ydiff=-27\relax - \putratom{41}{563}{\@memberb}% % right type - {% - \thicklines% - \put(18,436){\line(3,5){60}}% % single bond at 1 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=-37\relax - \yl@ydiff=-27\relax - \putlatom{-42}{563}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-18,436){\line(-3,5){60}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(-18,436)(-72,526)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-36\relax - \yl@ydiff=-27\relax - \putlatom{-42}{563}{\@memberb}% % left type - \put(-18,436){\line(-3,5){60}}% % single bond at 1 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=37\relax - \yl@ydiff=-27\relax - \putratom{41}{563}{\@memberb}% % right type - \put(18,436){\line(3,5){60}}% % single bond at 1 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \put(-12,436){\line(0,1){110}}% % double bond at 1 - \put(12,436){\line(0,1){110}}% % double bond at 1 - \else\if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,436){\line(0,1){110}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,436){\line(0,1){110}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,436)(0,546)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(0,406){\setatombondd}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(0,406){\setatombondf}% - }% - \else% - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \put(0,436){\line(0,1){110}}% % single bond at 1 - \fi\fi\fi\fi% - \fi\fi% -\else% % no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(0,406){\line(0,1){140}}% % single bond at 1 - \putlratom{-31}{563}{\@memberb}% % left or right type - \else\if\@tmpc B%(B) beta - \yl@xdiff=-30\relax - \yl@ydiff=-37\relax - \putlatom{-42}{563}{\@memberb}% % left type - {% - \thicklines% - \put(0,406){\line(-3,5){72}}% % single bond at 1 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=31\relax - \yl@ydiff=-37\relax - \putratom{41}{563}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(0,406){\line(3,5){72}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,406)(72,526)}}% - \else\if\@tmpc u%(u) upper --- (B) beta - \yl@xdiff=30\relax - \yl@ydiff=-37\relax - \putratom{41}{563}{\@memberb}% % right type - {% - \thicklines% - \put(0,406){\line(3,5){72}}% % single bond at 1 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=-31\relax - \yl@ydiff=-37\relax - \putlatom{-42}{563}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(0,406){\line(-3,5){72}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,406)(-72,526)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-30\relax - \yl@ydiff=-37\relax - \putlatom{-42}{563}{\@memberb}% % left type - \put(0,406){\line(-3,5){72}}% % single bond at 1 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=31\relax - \yl@ydiff=-37\relax - \putratom{41}{563}{\@memberb}% % right type - \put(0,406){\line(3,5){72}}% % single bond at 1 - \fi\fi\fi\fi\fi% - \fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \put(-12,406){\line(0,1){140}}% % double bond at 1 - \put(12,406){\line(0,1){140}}% % double bond at 1 - \else\if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,406){\line(0,1){140}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,406){\line(0,1){140}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,406)(0,546)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(0,406){\setatombondd}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(0,406){\setatombondf}% - }% - \else% - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \put(0,406){\line(0,1){140}}% % single bond at 1 - \fi\fi\fi\fi% - \fi\fi - \fi}% end of \@substa -% \end{macrocode} -% \end{macro} -% -% The |\@substb| command is used for placing a substituent (|\@memberb|) at -% the 2-position (upper-right) of a vertical six-membered ring. -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/15}{New bond modifiers: FA, FB, GA, GB, Su, and Sd} -% \begin{macro}{\@substb} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 2 % -% %%%%%%%%%%%%%%% -\def\@substb{% - \if@bclip %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10\relax - \yl@ydiff=24\relax - \putratom{311}{363}{\@memberb}% % right type - \put(201,327){\line(5,3){100}}% % single bond at 2 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-7\relax - \yl@ydiff=38\relax - \putratom{268}{420}{\@memberb}% % right type - {% - \thicklines% - \put(201,358){\line(3,5){60}}% % single bond at 2 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=-17\relax - \yl@ydiff=23\relax - \putratom{318}{280}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(201,303){\line(1,0){100}}% % single bond at 2 - }{{\thicklines% - \dottedline{20}(201,303)(301,303)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=-17\relax - \yl@ydiff=23\relax - \putratom{318}{280}{\@memberb}% % right type - {% - \thicklines% - \put(201,303){\line(1,0){100}}% % single bond at 2 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=-7\relax - \yl@ydiff=38\relax - \putratom{268}{420}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(201,358){\line(3,5){60}}% % single bond at 2 - }{{\thicklines% - \dottedline{20}(201,358)(261,458)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-7\relax - \yl@ydiff=38\relax - \putratom{268}{420}{\@memberb}% % right type - \put(201,358){\line(3,5){60}}% % single bond at 2 - \else\if\@tmpc a%(a) alpha% - \yl@xdiff=-17\relax - \yl@ydiff=23\relax - \putratom{318}{280}{\@memberb}% % right type - \put(201,303){\line(1,0){100}}% % single bond at 2 - \fi\fi\fi\fi\fi% - \fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=-10\relax - \yl@ydiff=18\relax - \putratom{311}{363}{\@memberb}% % right type - \put(194,331){\line(5,3){100}}% % double bond at 2 - \put(200,305){\line(5,3){100}}% % double bond at 2 - \else\if\@tmpb B%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=24\relax - \putratom{311}{363}{\@memberb}% % right type - {% - \thicklines% - \put(201,327){\line(5,3){100}}% % single bond at 2 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=-10\relax - \yl@ydiff=24\relax - \putratom{311}{363}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(201,327){\line(5,3){100}}% % single bond at 2 - }{{\thicklines% - \dottedline{20}(201,327)(301,387)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(171,303){\setatombonda}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(171,303){\setatombonde}% - }% - \else% - \yl@xdiff=-10\relax - \yl@ydiff=24\relax - \putratom{311}{363}{\@memberb}% % right type - \put(201,327){\line(5,3){100}}% % single bond at 2 - \fi\fi\fi\fi% - \fi\fi% - \else% %no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10\relax - \yl@ydiff=12\relax - \putratom{301}{363}{\@memberb}% % right type - \put(171,303){\line(5,3){120}}% % single bond at 2 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-15\relax - \yl@ydiff=13\relax - \putratom{258}{410}{\@memberb}% % right type - {% - \thicklines% - \put(171,303){\line(3,5){72}}% % single bond at 2 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=-7\relax - \yl@ydiff=23\relax - \putratom{318}{280}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(171,303){\line(1,0){140}}% % single bond at 2 - }{{\thicklines% - \dottedline{20}(171,303)(311,303)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=-7\relax - \yl@ydiff=23\relax - \putratom{318}{280}{\@memberb}% % right type - {% - \thicklines% - \put(171,303){\line(1,0){140}}% % single bond at 2 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=-15\relax - \yl@ydiff=13\relax - \putratom{258}{410}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(171,303){\line(3,5){72}}% % single bond at 2 - }{{\thicklines% - \dottedline{20}(171,303)(243,423)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-15\relax - \yl@ydiff=13\relax - \putratom{258}{410}{\@memberb}% % right type - \put(171,303){\line(3,5){72}}% % single bond at 2 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=-7\relax - \yl@ydiff=23\relax - \putratom{318}{280}{\@memberb}% % right type - \put(171,303){\line(1,0){140}}% % single bond at 2 - \fi\fi\fi\fi\fi% - \fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=-10\relax - \yl@ydiff=6\relax - \putratom{301}{363}{\@memberb}% % right type - \put(168,310){\line(5,3){120}}% % double bond at 2 - \put(174,284){\line(5,3){120}}% % double bond at 2 - \else\if\@tmpb B%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=12\relax - \putratom{301}{363}{\@memberb}% % right type - {% - \thicklines% - \put(171,303){\line(5,3){120}}% % single bond at 2 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=-10\relax - \yl@ydiff=12\relax - \putratom{301}{363}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(171,303){\line(5,3){120}}% % single bond at 2 - }{{\thicklines% - \dottedline{20}(171,303)(291,375)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(171,303){\setatombonda}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(171,303){\setatombonde}% - }% - \else% - \yl@xdiff=-10\relax - \yl@ydiff=12\relax - \putratom{301}{363}{\@memberb}% % right type - \put(171,303){\line(5,3){120}}% % single bond at 2 - \fi\fi\fi\fi% - \fi\fi - \fi}% end of \@substb -% \end{macrocode} -% \end{macro} -% -% The |\@substc| command is used for placing a substituent (|\@memberb|) at -% the 3-position (lower-right) of a vertical six-membered ring. -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff|} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/15}{New bond modifiers: FA, FB, GA, GB, Su, and Sd} -% \begin{macro}{\@substc} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 3 % -% %%%%%%%%%%%%%%% -\def\@substc{% - \if@cclip %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10\relax - \yl@ydiff=46\relax - \putratom{311}{-27}{\@memberb}% % right type - \put(201,79){\line(5,-3){110}}% % single bond at 3 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-7\relax - \yl@ydiff=28\relax - \putratom{268}{-80}{\@memberb}% % right type - {% - \thicklines% - \put(201,48){\line(3,-5){60}}% % single bond at 3 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=-17\relax - \yl@ydiff=29\relax - \putratom{318}{74}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(201,103){\line(1,0){100}}% % single bond at 3 - }{{\thicklines% - \dottedline{20}(201,103)(301,103)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=-17\relax - \yl@ydiff=29\relax - \putratom{318}{74}{\@memberb}% % right type - {% - \thicklines% - \put(201,103){\line(1,0){100}}% % single bond at 3 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=-7\relax - \yl@ydiff=28\relax - \putratom{268}{-80}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(201,48){\line(3,-5){60}}% % single bond at 3 - }{{\thicklines% - \dottedline{20}(201,48)(261,-52)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-7\relax - \yl@ydiff=28\relax - \putratom{268}{-80}{\@memberb}% % right type - \put(201,48){\line(3,-5){60}}% % single bond at 3 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=-17\relax - \yl@ydiff=29\relax - \putratom{318}{74}{\@memberb}% % right type - \put(201,103){\line(1,0){100}}% % single bond at 3 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=-10\relax - \yl@ydiff=52\relax - \putratom{311}{-27}{\@memberb}% % right type - \put(194,76){\line(5,-3){100}}% % double bond at 3 - \put(200,101){\line(5,-3){100}}% % double bond at 3 - \else\if\@tmpb B%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=46\relax - \putratom{311}{-27}{\@memberb}% % right type - {% - \thicklines% - \put(201,79){\line(5,-3){100}}% % single bond at 3 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=-10\relax - \yl@ydiff=46\relax - \putratom{311}{-27}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(201,79){\line(5,-3){100}}% % single bond at 3 - }{{\thicklines% - \dottedline{20}(201,79)(301,19)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(171,103){\setatombondf}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(171,103){\setatombondc}% - }% - \else% - \yl@xdiff=-10\relax - \yl@ydiff=46\relax - \putratom{311}{-27}{\@memberb}% % right type - \put(201,79){\line(5,-3){100}}% % single bond at 3 - \fi\fi\fi\fi% - \fi\fi% - \else%no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10\relax - \yl@ydiff=58\relax - \putratom{301}{-27}{\@memberb}% % right type - \put(171,103){\line(5,-3){120}}% % single bond at 3 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-10\relax - \yl@ydiff=48\relax - \putratom{258}{-70}{\@memberb}% % right type - {% - \thicklines% - \put(171,103){\line(3,-5){72}}% % single bond at 3 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=-10\relax - \yl@ydiff=30\relax - \putratom{318}{74}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(171,103){\line(1,0){140}}% % single bond at 3 - }{{\thicklines% - \dottedline{20}(171,103)(311,103)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=-10\relax - \yl@ydiff=30\relax - \putratom{318}{74}{\@memberb}% % right type - {% - \thicklines% - \put(171,103){\line(1,0){140}}% % single bond at 3 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=-10\relax - \yl@ydiff=48\relax - \putratom{258}{-70}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(171,103){\line(3,-5){72}}% % single bond at 3 - }{{\thicklines% - \dottedline{20}(171,103)(243,-17)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-10\relax - \yl@ydiff=48\relax - \putratom{258}{-70}{\@memberb}% % right type - \put(171,103){\line(3,-5){72}}% % single bond at 3 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=-10\relax - \yl@ydiff=30\relax - \putratom{318}{74}{\@memberb}% % right type - \put(171,103){\line(1,0){140}}% % single bond at 3 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=-10\relax - \yl@ydiff=65\relax - \putratom{301}{-27}{\@memberb}% % right type - \put(168,96){\line(5,-3){120}}% % double bond at 3 - \put(174,121){\line(5,-3){120}}% % double bond at 3 - \else\if\@tmpb B%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=58\relax - \putratom{301}{-27}{\@memberb}% % right type - {% - \thicklines% - \put(171,103){\line(5,-3){120}}% % single bond at 3 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=-10\relax - \yl@ydiff=58\relax - \putratom{301}{-27}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(171,103){\line(5,-3){120}}% % single bond at 3 - }{{\thicklines% - \dottedline{20}(171,103)(291,31)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(171,103){\setatombondf}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(171,103){\setatombondc}% - }% - \else% - \yl@xdiff=-10\relax - \yl@ydiff=58\relax - \putratom{301}{-27}{\@memberb}% % right type - \put(171,103){\line(5,-3){120}}% % single bond at 3 - \fi\fi\fi\fi% - \fi\fi - \fi -}% end of \@substc -% \end{macrocode} -% \end{macro} -% -% The |\@substd| command is used for placing a substituent (|\@memberb|) at -% the 4-position (bottom) of a vertical six-membered ring. -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/15}{New bond modifiers: FA, FB, GA, GB, Su, and Sd} -% \begin{macro}{\@substd} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 4 % -% %%%%%%%%%%%%%%% -\def\@substd{% -\if@clip %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(0,-30){\line(0,-1){110}}% % single bond at 4 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-36\relax - \yl@ydiff=100\relax - \putlatom{-42}{-230}{\@memberb}% % left type - {% - \thicklines% - \put(-18,-30){\line(-3,-5){60}}% % single bond at 4 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=37\relax - \yl@ydiff=100\relax - \putratom{41}{-230}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(18,-30){\line(3,-5){60}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(18,-30)(72,-120)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=37\relax - \yl@ydiff=100\relax - \putratom{41}{-230}{\@memberb}% % right type - {% - \thicklines% - \put(18,-30){\line(3,-5){60}}% % single bond at 4 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=-36\relax - \yl@ydiff=100\relax - \putlatom{-42}{-230}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-18,-30){\line(-3,-5){60}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(-18,-30)(-78,-130)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-36\relax - \yl@ydiff=100\relax - \putlatom{-42}{-230}{\@memberb}% % left type - \put(-18,-30){\line(-3,-5){60}}% % single bond at 4 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=37\relax - \yl@ydiff=100\relax - \putratom{41}{-230}{\@memberb}% % right type - \put(18,-30){\line(3,-5){60}}% % single bond at 4 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(-12,-30){\line(0,-1){110}}% % double bond at 4 - \put(12,-30){\line(0,-1){110}}% % double bond at 4 - \else\if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,-30){\line(0,-1){110}}% % single bond at 4 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,-30){\line(0,-1){110}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(0,-30)(0,-140)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(0,0){\setatombonde}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(0,0){\setatombondg}% - }% - \else% - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(0,-30){\line(0,-1){110}}% % single bond at 4 - \fi\fi\fi\fi% - \fi\fi% - \else%no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(0,0){\line(0,-1){140}}% % single bond at 4 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-30\relax - \yl@ydiff=110\relax - \putlatom{-42}{-230}{\@memberb}% % left type - {% - \thicklines% - \put(0,0){\line(-3,-5){72}}% % single bond at 4 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=31\relax - \yl@ydiff=110\relax - \putratom{41}{-230}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(0,0){\line(3,-5){72}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(0,0)(72,-120)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=31\relax - \yl@ydiff=110\relax - \putratom{41}{-230}{\@memberb}% % right type - {% - \thicklines% - \put(0,0){\line(3,-5){72}}% % single bond at 4 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=-30\relax - \yl@ydiff=110\relax - \putlatom{-42}{-230}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(0,0){\line(-3,-5){72}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(0,0)(-72,-120)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-30\relax - \yl@ydiff=110\relax - \putlatom{-42}{-230}{\@memberb}% % left type - \put(0,0){\line(-3,-5){72}}% % single bond at 4 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=31\relax - \yl@ydiff=110\relax - \putratom{41}{-230}{\@memberb}% % right type - \put(0,0){\line(3,-5){72}}% % single bond at 4 - \fi\fi\fi\fi\fi% - \fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(-12,0){\line(0,-1){140}}% % double bond at 4 - \put(12,0){\line(0,-1){140}}% % double bond at 4 - \else\if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,0){\line(0,-1){140}}% % single bond at 4 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,0){\line(0,-1){140}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(0,0)(0,-140)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(0,0){\setatombonde}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(0,0){\setatombondg}% - }% - \else% - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(0,0){\line(0,-1){140}}% % single bond at 4 - \fi\fi\fi\fi% - \fi\fi% - \fi}%end of \@substd -% \end{macrocode} -% \end{macro} -% -% The |\@subste| command is used for placing a substituent (|\@memberb|) at -% the 5-position (lower-left) of a vertical six-membered ring. -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/15}{New bond modifiers: FA, FB, GA, GB, Su, and Sd} -% \begin{macro}{\@subste} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 5 % -% %%%%%%%%%%%%%%% -\def\@subste{% - \if@eclip%clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10\relax - \yl@ydiff=46\relax - \putlatom{-311}{-27}{\@memberb}% % left type - \put(-201,79){\line(-5,-3){110}}% % single bond at 5 - \else\if\@tmpc B%(B) beta - \yl@xdiff=7\relax - \yl@ydiff=38\relax - \putlatom{-268}{-80}{\@memberb}% % left type - {% - \thicklines% - \put(-201,48){\line(-3,-5){60}}% % single bond at 5 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=17\relax - \yl@ydiff=29\relax - \putlatom{-318}{74}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-201,103){\line(-1,0){100}}% % single bond at 5 - }{{\thicklines% - \dottedline{20}(-201,103)(-301,103)}}% - \else\if\@tmpc u% (u) up --- (B) beta - \yl@xdiff=17\relax - \yl@ydiff=29\relax - \putlatom{-318}{74}{\@memberb}% % left type - {% - \thicklines% - \put(-201,103){\line(-1,0){100}}% % single bond at 5 - }% - \else\if\@tmpc d% (d) down --- (A) alpha - \yl@xdiff=7\relax - \yl@ydiff=38\relax - \putlatom{-268}{-80}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-201,48){\line(-3,-5){60}}% % single bond at 5 - }{{\thicklines% - \dottedline{20}(-201,48)(-261,-52)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=7\relax - \yl@ydiff=38\relax - \putlatom{-268}{-80}{\@memberb}% % left type - \put(-201,48){\line(-3,-5){60}}% % single bond at 5 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=17\relax - \yl@ydiff=29\relax - \putlatom{-318}{74}{\@memberb}% % left type - \put(-201,103){\line(-1,0){100}}% % single bond at 5 - \fi\fi\fi\fi\fi% - \fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=10\relax - \yl@ydiff=62\relax - \putlatom{-311}{-27}{\@memberb}% % left type - \put(-194,76){\line(-5,-3){100}}% % double bond at 5 - \put(-200,101){\line(-5,-3){100}}% % double bond at 5 - \else\if\@tmpb B%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=46\relax - \putlatom{-311}{-27}{\@memberb}% % left type - {% - \thicklines% - \put(-201,79){\line(-5,-3){100}}% % single bond at 5 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=10\relax - \yl@ydiff=46\relax - \putlatom{-311}{-27}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-201,79){\line(-5,-3){100}}% % single bond at 5 - }{{\thicklines% - \dottedline{20}(-201,79)(-301,21)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(-171,103){\setatombondc}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(-171,103){\setatombondd}% - }% - \else% - \yl@xdiff=10\relax - \yl@ydiff=46\relax - \putlatom{-311}{-27}{\@memberb}% % left type - \put(-201,79){\line(-5,-3){100}}% % single bond at 5 - \fi\fi\fi\fi% - \fi\fi% -\else%no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10\relax - \yl@ydiff=56\relax - \putlatom{-301}{-27}{\@memberb}% % left type - \put(-171,103){\line(-5,-3){120}}% % single bond at 5 - \else\if\@tmpc B%(B) beta - \yl@xdiff=15\relax - \yl@ydiff=63\relax - \putlatom{-258}{-70}{\@memberb}% % left type - {% - \thicklines% - \put(-171,103){\line(-3,-5){72}}% % single bond at 5 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=15\relax - \yl@ydiff=29\relax - \putlatom{-326}{74}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-171,103){\line(-1,0){140}}% % single bond at 5 - }{{\thicklines% - \dottedline{20}(-171,103)(-311,103)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=15\relax - \yl@ydiff=29\relax - \putlatom{-326}{74}{\@memberb}% % left type - {% - \thicklines% - \put(-171,103){\line(-1,0){140}}% % single bond at 5 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=15\relax - \yl@ydiff=63\relax - \putlatom{-258}{-70}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-171,103){\line(-3,-5){72}}% % single bond at 5 - }{{\thicklines% - \dottedline{20}(-171,103)(-243,-17)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=15\relax - \yl@ydiff=63\relax - \putlatom{-258}{-70}{\@memberb}% % left type - \put(-171,103){\line(-3,-5){72}}% % single bond at 5 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=15\relax - \yl@ydiff=29\relax - \putlatom{-326}{74}{\@memberb}% % left type - \put(-171,103){\line(-1,0){140}}% % single bond at 5 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=10\relax - \yl@ydiff=62\relax - \putlatom{-301}{-27}{\@memberb}% % left type - \put(-168,96){\line(-5,-3){120}}% % double bond at 5 - \put(-174,121){\line(-5,-3){120}}% % double bond at 5 - \else\if\@tmpb B%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=56\relax - \putlatom{-301}{-27}{\@memberb}% % left type - {% - \thicklines% - \put(-171,103){\line(-5,-3){120}}% % single bond at 5 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=-10\relax - \yl@ydiff=56\relax - \putlatom{-301}{-27}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-171,103){\line(-5,-3){120}}% % single bond at 5 - }{{\thicklines% - \dottedline{20}(-171,103)(-311,31)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(-171,103){\setatombondc}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(-171,103){\setatombondd}% - }% - \else% - \yl@xdiff=10\relax - \yl@ydiff=56\relax - \putlatom{-301}{-27}{\@memberb}% % left type - \put(-171,103){\line(-5,-3){120}}%% single bond at 5 - \fi\fi\fi\fi% - \fi\fi% - \fi}% end of \@subste -% \end{macrocode} -% \end{macro} -% -% The |\@substf| command is used for placing a substituent (|\@memberb|) at -% the 6-position (upper-left) of a vertical six-membered ring. -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/15}{New bond modifiers: FA, FB, GA, GB, Su, and Sd} -% \begin{macro}{\@substf} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 6 % -% %%%%%%%%%%%%%%% -\def\@substf{% - \if@fclip %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10\relax - \yl@ydiff=24\relax - \putlatom{-311}{363}{\@memberb}% % left type - \put(-201,327){\line(-5,3){100}}% % single bond at 6 - \else\if\@tmpc B%(B) beta - \yl@xdiff=8\relax - \yl@ydiff=38\relax - \putlatom{-268}{420}{\@memberb}% % left type - {% - \thicklines% - \put(-201,358){\line(-3,5){60}}% % single bond at 6 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=17\relax - \yl@ydiff=23\relax - \putlatom{-318}{280}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-201,303){\line(-1,0){100}}% % single bond at 6 - }{{\thicklines% - \dottedline{20}(-201,303)(-301,303)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=17\relax - \yl@ydiff=23\relax - \putlatom{-318}{280}{\@memberb}% % left type - {% - \thicklines% - \put(-201,303){\line(-1,0){100}}% % single bond at 6 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=8\relax - \yl@ydiff=38\relax - \putlatom{-268}{420}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-201,358){\line(-3,5){60}}% % single bond at 6 - }{{\thicklines% - \dottedline{20}(-201,358)(-261,458)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=8\relax - \yl@ydiff=38\relax - \putlatom{-268}{420}{\@memberb}% % left type - \put(-201,358){\line(-3,5){60}}% % single bond at 6 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=17\relax - \yl@ydiff=23\relax - \putlatom{-318}{280}{\@memberb}% % left type - \put(-201,303){\line(-1,0){100}}% % single bond at 6 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=10\relax - \yl@ydiff=6\relax - \putlatom{-311}{363}{\@memberb}% % left type - \put(-194,331){\line(-5,3){100}}% % double bond at 6 - \put(-200,305){\line(-5,3){100}}% % double bond at 6 - \else\if\@tmpb B%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=24\relax - \putlatom{-311}{363}{\@memberb}% % left type - {% - \thicklines% - \put(-201,327){\line(-5,3){100}}% % single bond at 6 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=10\relax - \yl@ydiff=24\relax - \putlatom{-311}{363}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-201,327){\line(-5,3){100}}% % single bond at 6 - }{{\thicklines% -% \dottedline{20}(-201,327)(-301,375)}}% - \dottedline{20}(-201,327)(-301,387)}}%1998/10/11 by SF - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(-171,303){\setatombondg}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(-171,303){\setatombonda}% - }% - \else% - \yl@xdiff=10\relax - \yl@ydiff=24\relax - \putlatom{-311}{363}{\@memberb}% % left type - \put(-201,327){\line(-5,3){100}}% % single bond at 6 - \fi\fi\fi\fi% - \fi\fi -\else%no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10\relax - \yl@ydiff=12\relax - \putlatom{-301}{363}{\@memberb}% % left type - \put(-171,303){\line(-5,3){120}}% % single bond at 6 - \else\if\@tmpc B%(B) beta - \yl@xdiff=15\relax - \yl@ydiff=13\relax - \putlatom{-258}{410}{\@memberb}% % left type - {% - \thicklines% - \put(-171,303){\line(-3,5){72}}% % single bond at 6 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=15\relax - \yl@ydiff=23\relax - \putlatom{-326}{280}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-171,303){\line(-1,0){140}}% % single bond at 6 - }{{\thicklines% - \dottedline{20}(-171,303)(-311,303)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=15\relax - \yl@ydiff=23\relax - \putlatom{-326}{280}{\@memberb}% % left type - {% - \thicklines% - \put(-171,303){\line(-1,0){140}}% % single bond at 6 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=15\relax - \yl@ydiff=13\relax - \putlatom{-258}{410}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-171,303){\line(-3,5){72}}% % single bond at 6 - }{{\thicklines% - \dottedline{20}(-171,303)(-243,423)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=15\relax - \yl@ydiff=13\relax - \putlatom{-258}{410}{\@memberb}% % left type - \put(-171,303){\line(-3,5){72}}% % single bond at 6 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=15\relax - \yl@ydiff=23\relax - \putlatom{-326}{280}{\@memberb}% % left type - \put(-171,303){\line(-1,0){140}}% % single bond at 6 - \fi\fi\fi\fi\fi% - \fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=10\relax - \yl@ydiff=6\relax - \putlatom{-301}{363}{\@memberb}% % left type - \put(-168,310){\line(-5,3){120}}% % double bond at 6 - \put(-174,284){\line(-5,3){120}}% % double bond at 6 - \else\if\@tmpb B%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=12\relax - \putlatom{-301}{363}{\@memberb}% % left type - {% - \thicklines% - \put(-171,303){\line(-5,3){120}}% % single bond at 6 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=-10\relax - \yl@ydiff=12\relax - \putlatom{-301}{363}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-171,303){\line(-5,3){120}}% % single bond at 6 - }{{\thicklines% - \dottedline{20}(-171,303)(-311,375)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(-171,303){\setatombondg}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(-171,303){\setatombonda}% - }% - \else% - \yl@xdiff=10\relax - \yl@ydiff=12\relax - \putlatom{-301}{363}{\@memberb}% % left type - \put(-171,303){\line(-5,3){120}}% % single bond at 6 - \fi\fi\fi\fi% - \fi\fi -\fi}% end of \@substf -% \end{macrocode} -% \end{macro} -% -% \subsection{Setting-up substituents and bonds on a six-membered ring} -% -% The |\setsixringv| takes 5 arguments. -% -% \begin{verbatim} -% ************************************************************** -% * setting of atoms and bonds on a vertical six-membered ring * -% ************************************************************** -% -% \setsixringv{SUBSLIST}{AD}{LOWER}{UPPER}{ORDER} -% \end{verbatim} -% -% The first argument |SUBSLIST| is a list of substituents, which is -% represented in the standard format of \XyMTeX{}. -% -% \begin{verbatim} -% SUBSLIST: list of substituents (max 6 substitution positions) -% -% for n = 1 to 6 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The second argument |AD| is an adjustment value, which adjusts the original -% set of locant numbers into the standard one between 1 to 6 for drawing -% a six-membered ring. -% The effective range of the standared set of locant numbers is -% restricted by the auguments |LOWER| and |UPPER|. A minus value of -% the last argument shows the anti-clockwise numbering, while zero or -% a plus value represents the clockwise numbering. -% -% \begin{verbatim} -% -% AD : adjustment e.g. 0 for six-membered rings -% LOWER : lower limit LOWER < effective range < UPPER -% UPPER : upper limit -% ORDER : >= 0 clockwise, <0 anti-clockwise -% \end{verbatim} -% -% \changes{v1.02}{1998/10/31}{Adding switches \cs{@yla} etc.} -% -% \begin{macro}{\setsixringv} -% \begin{macrocode} -\def\setsixringv#1#2#3#4#5{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifnum#5 < 0\relax% -\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax% -\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax \fi -\ifnum\@tmpaa >#3\relax% -\ifnum\@tmpaa <#4\relax% -\ifcase\@tmpaa%0 omit -% \end{macrocode} -% -% The following commands are not used in a revised version -% because of the direct use of |\ifx\@memberb\@yl\else...\fi|. -% -% \begin{macrocode} -% %\or \if@yla\else\@substa\fi% subst. on 1 -% %\or \if@ylb\else\@substb\fi% subst. on 2 -% %\or \if@ylc\else\@substc\fi% subst. on 3 -% %\or \if@yld\else\@substd\fi% subst. on 4 -% %\or \if@yle\else\@subste\fi% subst. on 5 -% %\or \if@ylf\else\@substf\fi% subst. on 6 -% \end{macrocode} -% -% \begin{macrocode} - \or\@substa% subst. on 1 - \or\@substb% subst. on 2 - \or\@substc% subst. on 3 - \or\@substd% subst. on 4 - \or\@subste% subst. on 5 - \or\@substf% subst. on 6 -\fi%end of ifcase -\fi% -\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% -% \subsection{Setting-up substituents and bonds on a decaline ring} -% -% The command |\setdecaringv| -% has been stopped to use and replaced by % |\setsixringv| -% (version 1.02). -% -% The |\setdecaringv| takes 5 arguments. -% -% \begin{verbatim} -% *********************************************************** -% * setting of atoms and bonds on a decaline (six-six) ring * -% *********************************************************** -% -% \setdecaringv{SUBSLIST}{AD}{LOWER}{UPPER}{ORDER} -% \end{verbatim} -% -% The first argument |SUBSLIST| is a list of substituents, which is -% represented in the standard format of \XyMTeX{}. -% -% \begin{verbatim} -% -% SUBSLIST: list of substituents (max 8 substitution positions) -% -% for n = 1 to 8 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% Substituents at the fused positions are designated by -% the number 0 and the following bond modifiers. -% -% \begin{verbatim} -% for 0 (fused positions) -% -% 0FA : alpha single bond at 8a -% 0FB : beta single bond at 8a -% 0FU : unspecified single bond at 8a -% 0GA : alpha single bond at 4a -% 0GB : beta single bond at 4a -% 0GU : unspecified single bond at 4a -% -% \end{verbatim} -% -% The second argument |AD| is an adjustment value, which adjusts the original -% set of locant numbers into the standard one between 0 to 8 for drawing -% a decaline (six-six fused) ring. -% The effective range of the standared set of locant numbers is -% restricted by the auguments |LOWER| and |UPPER|. A minus value of -% the last argument shows the anti-clockwise numbering, while zero or -% a plus value represents the clockwise numbering. -% -% \begin{verbatim} -% AD : adjustment e.g. 0 for six-membered rings -% LOWER : lower limit LOWER < effective range < UPPER -% UPPER : upper limit -% ORDER : >= 0 clockwise, <0 anti-clockwise -% -% \end{verbatim} -% -% \begin{verbatim} -% (Deleted) -% % \begin{macro}{\setdecaringv} -% % \begin{macrocode} -% \def\setdecaringv#1#2#3#4#5{% -% \@forsemicol\member:=#1\do{\expandafter\@m@mb@r\member;\relax% -% \expandafter\threech@r\@membera{}{}% -% \ifnum#5 <0\relax% -% \@tmpaa=-\@tmpa\relax\advance\@tmpaa by #2\relax% -% \else\@tmpaa=\@tmpa\relax\advance\@tmpaa by #2\relax\fi% -% \ifnum\@tmpaa >#3\relax% -% \ifnum\@tmpaa <#4\relax% -% % \end{macrocode} -% % -% % \begin{macrocode} -% \ifcase\@tmpaa% -% % %%%%%%%%%%%%%%%%%% -% % 0 fused positions -% % %%%%%%%%%%%%%%%%%% -% \if\@tmpb F%single bond at 8a (fused position) -% \if\@tmpc B%beta single bond at 8a (fused position) -% \putlratom{140}{460}{\@memberb}% % left or right type -% {% -% \thicklines% -% \put(171,303){\line(0,1){140}}% % single bond at 8a -% }% -% \else\if\@tmpc A%alpha single bond at 8a (fused position) -% \putlratom{140}{460}{\@memberb}% % left or right type -% \@ifundefined{dottedline}{% -% \put(171,303){\line(0,1){140}}% % single bond at 8a -% }{{\thicklines% -% \dottedline{20}(171,303)(171,443)}}% -% \else\if\@tmpc U%beta single bond at 8a (fused position) -% \putlratom{140}{460}{\@memberb}% % left or right type -% \put(168,303){$\wr$}% unspecified single bond at 4a -% \put(168,353){$\wr$}% -% \put(168,403){$\wr$}% -% \else\if\@tmpc S%beta single bond at 8a (fused position) -% \putlratom{140}{460}{\@memberb}% % left or right type -% \put(171,303){\line(0,1){140}}% % single bond at 8a -% \else\ifx\@tmpc\empty%beta single bond at 8a (fused position) -% \putlratom{140}{460}{\@memberb}% % left or right type -% \put(171,303){\line(0,1){140}}% % single bond at 8a -% \fi\fi\fi\fi\fi% -% \else\if\@tmpb G%single bond at 4a (fused position) -% \if\@tmpc B%beta single bond at 4a (fused position) -% \putlratom{140}{-127}{\@memberb}% % left or right type -% {% -% \thicklines% -% \put(171,103){\line(0,-1){140}}% % single bond at 4a -% }% -% \else\if\@tmpc A%alpha single bond at 4a (fused position) -% \putlratom{140}{-127}{\@memberb}% % left or right type -% \@ifundefined{dottedline}{% -% \put(171,103){\line(0,-1){140}}% % single bond at 4a -% }{{\thicklines% -% \dottedline{20}(171,103)(171,-37)}}% -% \else\if\@tmpc U%beta single bond at 4a (fused position) -% \putlratom{140}{-127}{\@memberb}% % left or right type -% \put(168,43){$\wr$}% unspecified single bond at 4a -% \put(168,-8){$\wr$}% -% \put(168,-57){$\wr$}% -% \else\if\@tmpc S%alpha single bond at 4a (fused position) -% \putlratom{140}{-127}{\@memberb}% % left or right type -% \put(171,103){\line(0,-1){140}}% % single bond at 4a -% \else\ifx\@tmpc\empty%alpha single bond at 4a (fused position) -% \putlratom{140}{-127}{\@memberb}% % left or right type -% \put(171,103){\line(0,-1){140}}% % single bond at 4a -% \fi\fi\fi\fi\fi% -% \fi\fi% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%% -% \or% subst. on 1 -% % %%%%%%%%%%%%%%%% -% \if\@tmpb S%single bond -% \ifx\@tmpc\empty% -% \put(342,406){\line(0,1){140}}% % single bond at 1 -% \putlratom{311}{563}{\@memberb}% % left or right type -% \else\if\@tmpc B%(B) beta -% \putlatom{300}{563}{\@memberb}% % left type -% {% -% \thicklines% -% \put(342,406){\line(-3,5){72}}% % single bond at 1 -% }% -% \else\if\@tmpc A%(A) alpha -% \putratom{383}{563}{\@memberb}% % right type -% \@ifundefined{dottedline}{% -% \put(342,406){\line(3,5){72}}% % single bond at 1 -% }{{\thicklines% -% \dottedline{20}(342,406)(414,526)}}% -% \else\if\@tmpc b%(b) beta -% \putlatom{300}{563}{\@memberb}% % left type -% \put(342,406){\line(-3,5){72}}% % single bond at 1 -% \else\if\@tmpc a%(a) alpha -% \putratom{383}{563}{\@memberb}% % right type -% \put(342,406){\line(3,5){72}}% % single bond at 1 -% \fi\fi\fi\fi\fi -% \else\if\@tmpb D%double bond -% \putlratom{311}{563}{\@memberb}% % left or right type -% \put(330,406){\line(0,1){140}}% % double bond at 1 -% \put(354,406){\line(0,1){140}}% % double bond at 1 -% \else\if\@tmpb B%beta single bond -% \putlratom{311}{563}{\@memberb}% % left or right type -% {% -% \thicklines% -% \put(342,406){\line(0,1){140}}% % single bond at 1 -% }% -% \else\if\@tmpb A%alpha single bond -% \putlratom{311}{563}{\@memberb}% % left or right type -% \@ifundefined{dottedline}{% -% \put(342,406){\line(0,1){140}}% %single bond at 1 -% }{{\thicklines% -% \dottedline{20}(342,406)(342,546)}}% -% \else% -% \putlratom{311}{563}{\@memberb}% % left or right type -% \put(342,406){\line(0,1){140}}% % single bond at 1 -% \fi\fi\fi\fi% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%% -% \or% subst. on 2 -% % %%%%%%%%%%%%%%% -% \if\@tmpb S%single bond -% \ifx\@tmpc\empty% -% \putratom{643}{363}{\@memberb}% % right type -% \put(513,303){\line(5,3){120}}% % single bond at 2 -% \else\if\@tmpc B%(B) beta -% \putratom{600}{410}{\@memberb}% % right type -% {% -% \thicklines% -% \put(513,303){\line(3,5){72}}% % single bond at 2 -% }% -% \else\if\@tmpc A%(A) alpha -% \putratom{660}{280}{\@memberb}% % right type -% \@ifundefined{dottedline}{% -% \put(513,303){\line(1,0){140}}% % single bond at 2 -% }{{\thicklines% -% \dottedline{20}(513,303)(653,303)}}% -% \else\if\@tmpc b%(b) beta -% \putratom{600}{410}{\@memberb}% % right type -% \put(513,303){\line(3,5){72}}% % single bond at 2 -% \else\if\@tmpc a%(a) alpha -% \putratom{660}{280}{\@memberb}% % right type -% \put(513,303){\line(1,0){140}}% % single bond at 2 -% \fi\fi\fi\fi\fi% -% \else\if\@tmpb D%double bond -% \putratom{643}{363}{\@memberb}% % right type -% \put(510,310){\line(5,3){120}}% % double bond at 2 -% \put(516,284){\line(5,3){120}}% % double bond at 2 -% \else\if\@tmpb B%beta single bond -% \putratom{643}{363}{\@memberb}% % right type -% {% -% \thicklines% -% \put(513,303){\line(5,3){120}}% % single bond at 2 -% }% -% \else\if\@tmpb A%alpha single bond -% \putratom{643}{363}{\@memberb}% % right type -% \@ifundefined{dottedline}{% -% \put(513,303){\line(5,3){120}}% % single bond at 2 -% }{{\thicklines% -% \dottedline{20}(513,303)(633,375)}}% -% \else% -% \putratom{643}{363}{\@memberb}% % right type -% \put(513,303){\line(5,3){120}}% % single bond at 2 -% \fi\fi\fi\fi% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%% -% \or% subst. on 3 -% % %%%%%%%%%%%%%%% -% \if\@tmpb S%single bond -% \ifx\@tmpc\empty% -% \putratom{643}{-27}{\@memberb}% % right type -% \put(513,103){\line(5,-3){120}}% % single bond at 3 -% \else\if\@tmpc B%(B) beta -% \putratom{600}{-70}{\@memberb}% % right type -% {% -% \thicklines% -% \put(513,103){\line(3,-5){72}}% % single bond at 3 -% }% -% \else\if\@tmpc A%(A) alpha -% \putratom{660}{74}{\@memberb}% % right type -% \@ifundefined{dottedline}{% -% \put(513,103){\line(1,0){140}}% % single bond at 3 -% }{{\thicklines% -% \dottedline{20}(513,103)(653,103)}}% -% \else\if\@tmpc b%(b) beta -% \putratom{600}{-70}{\@memberb}% % right type -% \put(513,103){\line(3,-5){72}}% % single bond at 3 -% \else\if\@tmpc a%(a) alpha -% \putratom{660}{74}{\@memberb}% % right type -% \put(513,103){\line(1,0){140}}% % single bond at 3 -% \fi\fi\fi\fi\fi% -% \else\if\@tmpb D%double bond -% \putratom{643}{-27}{\@memberb}% % right type -% \put(510,96){\line(5,-3){120}}% % double bond at 3 -% \put(516,121){\line(5,-3){120}}% % double bond at 3 -% \else\if\@tmpb B%beta single bond -% \putratom{643}{-27}{\@memberb}% % right type -% {% -% \thicklines% -% \put(513,103){\line(5,-3){120}}% % single bond at 3 -% }% -% \else\if\@tmpb A%alpha single bond -% \putratom{643}{-27}{\@memberb}% % right type -% \@ifundefined{dottedline}{% -% \put(513,103){\line(5,-3){120}}% % single bond at 3 -% }{{\thicklines% -% \dottedline{20}(513,103)(633,31)}}% -% \else% -% \putratom{643}{-27}{\@memberb}% % right type -% \put(513,103){\line(5,-3){120}}% % single bond at 3 -% \fi\fi\fi\fi% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%% -% \or% subst. on 4 -% % %%%%%%%%%%%%%%% -% \if\@tmpb S%single bond -% \ifx\@tmpc\empty% -% \putlratom{311}{-230}{\@memberb}% % left or right type -% \put(342,0){\line(0,-1){140}}% % single bond at 4 -% \else\if\@tmpc B%(B) beta -% \putlatom{300}{-230}{\@memberb}% % left type -% {% -% \thicklines% -% \put(342,0){\line(-3,-5){72}}% % single bond at 4 -% }% -% \else\if\@tmpc A%(A) alpha -% \putratom{383}{-230}{\@memberb}% % right type -% \@ifundefined{dottedline}{% -% \put(342,0){\line(3,-5){72}}% % single bond at 4 -% }{{\thicklines% -% \dottedline{20}(342,0)(414,-120)}}% -% \else\if\@tmpc b%(b) beta -% \putlatom{300}{-230}{\@memberb}% % left type -% \put(342,0){\line(-3,-5){72}}% % single bond at 4 -% \else\if\@tmpc a%(a) alpha -% \putratom{383}{-230}{\@memberb}% % right type -% \put(342,0){\line(3,-5){72}}% % single bond at 4 -% \fi\fi\fi\fi\fi% -% \else\if\@tmpb D%double bond -% \putlratom{311}{-230}{\@memberb}% % left or right type -% \put(330,0){\line(0,-1){140}}% % double bond at 4 -% \put(354,0){\line(0,-1){140}}% % double bond at 4 -% \else\if\@tmpb B%beta single bond -% \putlratom{311}{-230}{\@memberb}% % left or right type -% {% -% \thicklines% -% \put(342,0){\line(0,-1){140}}% % single bond at 4 -% }% -% \else\if\@tmpb A%alpha single bond -% \putlratom{311}{-230}{\@memberb}% % left or right type -% \@ifundefined{dottedline}{% -% \put(342,0){\line(0,-1){140}}% % single bond at 4 -% }{{\thicklines% -% \dottedline{20}(342,0)(342,-140)}}% -% \else% -% \putlratom{311}{-230}{\@memberb}% % left or right type -% \put(342,0){\line(0,-1){140}}% % single bond at 4 -% \fi\fi\fi\fi% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%% -% \or% subst. on 5 -% % %%%%%%%%%%%%%%% -% \if\@tmpb S%single bond -% \ifx\@tmpc\empty% -% \putlratom{-31}{-230}{\@memberb}% % left or right type -% \put(0,0){\line(0,-1){140}}% % single bond at 5 -% \else\if\@tmpc B%(B) beta -% \putlatom{-42}{-230}{\@memberb}% % left type -% {% -% \thicklines% -% \put(0,0){\line(-3,-5){72}}% % single bond at 5 -% }% -% \else\if\@tmpc A%(A) alpha -% \putratom{41}{-230}{\@memberb}% % right type -% \@ifundefined{dottedline}{% -% \put(0,0){\line(3,-5){72}}% % single bond at 5 -% }{{\thicklines% -% \dottedline{20}(0,0)(72,-120)}}% -% \else\if\@tmpc b%(b) beta -% \putlatom{-42}{-230}{\@memberb}% % left type -% \put(0,0){\line(-3,-5){72}}% % single bond at 5 -% \else\if\@tmpc a%(a) alpha -% \putratom{41}{-230}{\@memberb}% % right type -% \put(0,0){\line(3,-5){72}}% % single bond at 5 -% \fi\fi\fi\fi\fi -% \else\if\@tmpb D%double bond -% \putlratom{-31}{-230}{\@memberb}% % left or right type -% \put(-12,0){\line(0,-1){140}}% % double bond at 5 -% \put(12,0){\line(0,-1){140}}% % double bond at 5 -% \else\if\@tmpb B%beta single bond -% \putlratom{-31}{-230}{\@memberb}% % left or right type -% {% -% \thicklines% -% \put(0,0){\line(0,-1){140}}% % single bond at 5 -% }% -% \else\if\@tmpb A%alpha single bond -% \putlratom{-31}{-230}{\@memberb}% % left or right type -% \@ifundefined{dottedline}{% -% \put(0,0){\line(0,-1){140}}% % single bond at 5 -% }{{\thicklines% -% \dottedline{20}(0,0)(0,-140)}}% -% \else% -% \putlratom{-31}{-230}{\@memberb}% % left or right type -% \put(0,0){\line(0,-1){140}}% % single bond at 5 -% \fi\fi\fi\fi% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%% -% \or% subst. on 6 -% % %%%%%%%%%%%%%%% -% \if\@tmpb S%single bond -% \ifx\@tmpc\empty% -% \putlatom{-301}{-27}{\@memberb}% % left type -% \put(-171,103){\line(-5,-3){120}}% % single bond at 6 -% \else\if\@tmpc B%(B) beta -% \putlatom{-258}{-70}{\@memberb}% % left type -% {% -% \thicklines% -% \put(-171,103){\line(-3,-5){72}}% % single bond at 6 -% }% -% \else\if\@tmpc A%(A) alpha -% \putlatom{-326}{74}{\@memberb}% % left type -% \@ifundefined{dottedline}{% -% \put(-171,103){\line(-1,0){140}}% % single bond at 6 -% }{{\thicklines% -% \dottedline{20}(-171,103)(-311,103)}}% -% \else\if\@tmpc b%(b) beta -% \putlatom{-258}{-70}{\@memberb}% % left type -% \put(-171,103){\line(-3,-5){72}}% % single bond at 6 -% \else\if\@tmpc a%(a) alpha -% \putlatom{-326}{74}{\@memberb}% % left type -% \put(-171,103){\line(-1,0){140}}% % single bond at 6 -% \fi\fi\fi\fi\fi -% \else\if\@tmpb D%double bond -% \putlatom{-301}{-27}{\@memberb}% % left type -% \put(-168,96){\line(-5,-3){120}}% % double bond at 6 -% \put(-174,121){\line(-5,-3){120}}% % double bond at 6 -% \else\if\@tmpb B%beta single bond -% \putlatom{-301}{-27}{\@memberb}% % left type -% {% -% \thicklines% -% \put(-171,103){\line(-5,-3){120}}% % single bond at 6 -% }% -% \else\if\@tmpb A%alpha single bond -% \putlatom{-301}{-27}{\@memberb}% % left type -% \@ifundefined{dottedline}{% -% \put(-171,103){\line(-5,-3){120}}% % single bond at 6 -% }{{\thicklines% -% \dottedline{20}(-171,103)(-311,31)}}% -% \else% -% \putlatom{-301}{-27}{\@memberb}% % left type -% \put(-171,103){\line(-5,-3){120}}% single bond at 6 -% \fi\fi\fi\fi% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%% -% \or% subst. on 7 -% % %%%%%%%%%%%%%%% -% \if\@tmpb S%single bond -% \ifx\@tmpc\empty% -% \putlatom{-301}{363}{\@memberb}% % left type -% \put(-171,303){\line(-5,3){120}}% % single bond at 7 -% \else\if\@tmpc B%(B) beta -% \putlatom{-258}{410}{\@memberb}% % left type -% {% -% \thicklines% -% \put(-171,303){\line(-3,5){72}}% % single bond at 7 -% }% -% \else\if\@tmpc A%(A) alpha -% \putlatom{-326}{280}{\@memberb}% % left type -% \@ifundefined{dottedline}{% -% \put(-171,303){\line(-1,0){140}}% % single bond at 7 -% }{{\thicklines% -% \dottedline{20}(-171,303)(-311,303)}}% -% \else\if\@tmpc b%(b) beta -% \putlatom{-258}{410}{\@memberb}% % left type -% \put(-171,303){\line(-3,5){72}}% % single bond at 7 -% \else\if\@tmpc a%(a) alpha -% \putlatom{-326}{280}{\@memberb}% % left type -% \put(-171,303){\line(-1,0){140}}% % single bond at 7 -% \fi\fi\fi\fi\fi -% \else\if\@tmpb D%double bond -% \putlatom{-301}{363}{\@memberb}% % left type -% \put(-168,310){\line(-5,3){120}}% % double bond at 7 -% \put(-174,284){\line(-5,3){120}}% % double bond at 7 -% \else\if\@tmpb B%beta single bond -% \putlatom{-301}{363}{\@memberb}% % left type -% {% -% \thicklines% -% \put(-171,303){\line(-5,3){120}}% % single bond at 7 -% }% -% \else\if\@tmpb A%alpha single bond -% \putlatom{-301}{363}{\@memberb}% % left type -% \@ifundefined{dottedline}{% -% \put(-171,303){\line(-5,3){120}}% % single bond at 7 -% }{{\thicklines% -% \dottedline{20}(-171,303)(-311,375)}}% -% \else% -% \putlatom{-301}{363}{\@memberb}% % left type -% \put(-171,303){\line(-5,3){120}}% % single bond at 7 -% \fi\fi\fi\fi% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%% -% \or% subst. on 8 -% % %%%%%%%%%%%%%%% -% \if\@tmpb S%single bond -% \ifx\@tmpc\empty% -% \put(0,406){\line(0,1){140}}% % single bond at 8 -% \putlratom{-31}{563}{\@memberb}% % left or right type -% \else\if\@tmpc B%(B) beta -% \putlatom{-42}{563}{\@memberb}% % left type -% {% -% \thicklines% -% \put(0,406){\line(-3,5){72}}% % single bond at 8 -% }% -% \else\if\@tmpc A%(A) alpha -% \putratom{41}{563}{\@memberb}% % right type -% \@ifundefined{dottedline}{% -% \put(0,406){\line(3,5){72}}% % single bond at 8 -% }{{\thicklines% -% \dottedline{20}(0,406)(72,526)}}% -% \else\if\@tmpc b%(b) beta -% \putlatom{-42}{563}{\@memberb}% % left type -% \put(0,406){\line(-3,5){72}}% % single bond at 8 -% \else\if\@tmpc a%(a) alpha -% \putratom{41}{563}{\@memberb}% % right type -% \put(0,406){\line(3,5){72}}% % single bond at 8 -% \fi\fi\fi\fi\fi% -% \else\if\@tmpb D%double bond -% \putlratom{-31}{563}{\@memberb}% % left or right type -% \put(-12,406){\line(0,1){140}}% % double bond at 8 -% \put(12,406){\line(0,1){140}}% % double bond at 8 -% \else\if\@tmpb B%beta single bond -% \putlratom{-31}{563}{\@memberb}% % left or right type -% {% -% \thicklines% -% \put(0,406){\line(0,1){140}}% % single bond at 8 -% }% -% \else\if\@tmpb A%alpha single bond -% \putlratom{-31}{563}{\@memberb}% % left or right type -% \@ifundefined{dottedline}{% -% \put(0,406){\line(0,1){140}}% % single bond at 8 -% }{{\thicklines% -% \dottedline{20}(0,406)(0,546)}}% -% \else% -% \putlratom{-31}{563}{\@memberb}% % left or right type -% \put(0,406){\line(0,1){140}}% % single bond at 8 -% \fi\fi\fi\fi% -% \fi %end of ifcase -% \fi\fi}}% -% % \end{macrocode} -% % \end{macro} -% \end{verbatim} -% -% \subsection{Setting-up substituents and bonds at fused positions} -% -% The command |\ylfusedposition| is to obtain the shift values -% |\@ylii| and |\@yli| which are used for shifting the standard -% point of a substituent. -% The locant flags such as |\@ylatrue| have been stopped to use. -% \changes{v1.02}{1998/10/11}{Delete \cs{@ylatrue} etc.} -% \changes{v1.02}{1998/10/13}{Adding \cs{@fused@link} condition} -% \changes{v1.02}{1998/10/31}{Commands for setting substituents} -% -% \begin{macro}{\ylfusedposition} -% \begin{macrocode} -\def\ylfusedposition#1#2#3#4#5{% -\@@ylswfalse%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifnum#5<0\relax% -\@tmpaa=-\@tmpa\relax\advance\@tmpaa by #2\relax% -\@fused@linktrue -\else\@tmpaa=\@tmpa\relax\advance\@tmpaa by #2\relax -\@fused@linkfalse\fi% -\ifnum\@tmpaa >#3\relax% -\ifnum\@tmpaa <#4\relax% -\ifcase\@tmpaa% -% %%%%%%%%%%%%%%%%%% -% 0 fused positions % F == (171,303) G == (171,103) -% %%%%%%%%%%%%%%%%%% - \if\@tmpb F%single bond at F (fused position) - \def\@ylii{-171}\def\@yli{-303}\@ylswtrue%\@ylatrue% subst. on 0 - \else\if\@tmpb G%single bond at G (fused position) - \def\@ylii{-171}\def\@yli{-103}\@ylswtrue%\@ylatrue% subst. on 0 - \fi\fi% -% %%%%%%%%%%%%%%%% -\or% subst. on 1 F == (0,406), G == (171,303) for \@fused@linkfalse - % subst. on 1 G == (0,406), F == (171,303) for \@fused@linktrue -% %%%%%%%%%%%%%%%% -\if@fused@link - \if\@tmpb G%single bond at F (5,-3) fusion - \def\@ylii{0}\def\@yli{-406}\@ylswtrue%\@ylatrue% subst. on 1 - \else\if\@tmpb F%single bond at G - \def\@ylii{-171}\def\@yli{-303}\@ylswtrue%\@ylatrue% subst. on 1 - \fi\fi% -\else - \if\@tmpb F%single bond at F (5,-3) fusion - \def\@ylii{0}\def\@yli{-406}\@ylswtrue%\@ylatrue% subst. on 1 - \else\if\@tmpb G%single bond at G - \def\@ylii{-171}\def\@yli{-303}\@ylswtrue%\@ylatrue% subst. on 1 - \fi\fi% -\fi -% %%%%%%%%%%%%%%%% -\or% subst. on 2 F == (0,406), G == (-171,303) for \@fused@linkfalse - % subst. on 2 G == (0,406), F == (-171,303) for \@fused@linktrue -% %%%%%%%%%%%%%%%% -\if@fused@link - \if\@tmpb G%single bond at (-5,-3) fusion - \def\@ylii{0}\def\@yli{-406}\@ylswtrue%\@ylatrue% subst. on 2 - \else\if\@tmpb F%single bond at G - \def\@ylii{171}\def\@yli{-303}\@ylswtrue%\@ylatrue% subst. on 2 - \fi\fi% -\else - \if\@tmpb F%single bond at (-5,-3) fusion - \def\@ylii{0}\def\@yli{-406}\@ylswtrue%\@ylatrue% subst. on 2 - \else\if\@tmpb G%single bond at G - \def\@ylii{171}\def\@yli{-303}\@ylswtrue%\@ylatrue% subst. on 2 - \fi\fi% -\fi -% %%%%%%%%%%%%%%%%%% -\or %3 fused positions % G == (303,171) F == (103,171) -% %%%%%%%%%%%%%%%%%% - \if\@tmpb G%single bond at G (fused position) - \def\@ylii{-303}\def\@yli{-171}\@ylswtrue%\@ylatrue% subst. on 3 - \else\if\@tmpb F%single bond at F (fused position) - \def\@ylii{-103}\def\@yli{-171}\@ylswtrue%\@ylatrue% subst. on 3 - \fi\fi% -\fi%end of ifcase -\fi\fi\fi\fi\fi}}% end of \ylfusedposition -% \end{macrocode} -% \end{macro} -% -% The bond-setting commands |\GFbonda|, |\GFbondb|, |\GFbondc| and -% |\GFbondd|, which are separated from the old |\setfusedbond| command, -% are used to place a bond and a substituent at a fulsed position of -% such a compound as a decaline. -% -% \changes{v1.02}{1998/10/12}{Separate \cs{GFbonda} etc.} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\GFbonda} -% \begin{macro}{\GFbonda@a} -% \begin{macro}{\GFbonda@b} -% \begin{macrocode} -\def\GFbonda{% -% %%%%%%%%%%%%%%%%%% -% 0 fused positions % F == (171,303) G == (171,103) -% %%%%%%%%%%%%%%%%%% - \if\@tmpb F%single bond at F (fused position) - \GFbonda@a - \else\if\@tmpb G%single bond at G (fused position) - \GFbonda@b - \fi\fi% -}%end of GFbonda -% \end{macrocode} -% -% \begin{macrocode} -\def\GFbonda@a{% - \if\@tmpc B%beta single bond - \yl@xdiff=31\relax%171-140 - \yl@ydiff=-17\relax%460-(303+140) - \putlratom{140}{460}{\@memberb}% % left or right type - {% - \thicklines% - \put(171,303){\line(0,1){140}}% % single bond at F - }% - \else\if\@tmpc A%alpha single bond - \yl@xdiff=31\relax%171-140 - \yl@ydiff=-17\relax%460-(303+140) - \putlratom{140}{460}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(171,303){\line(0,1){140}}% % single bond at F - }{{\thicklines% - \dottedline{20}(171,303)(171,443)}}% - \else\if\@tmpc U% unspecified single bond - \yl@xdiff=31\relax%171-140 - \yl@ydiff=-17\relax%460-(303+140) - \putlratom{140}{460}{\@memberb}% % left or right type - \put(168,303){$\wr$}% unspecified single bond at F - \put(168,353){$\wr$}% - \put(168,403){$\wr$}% - \else\if\@tmpc S%beta single bond - \yl@xdiff=31\relax%171-140 - \yl@ydiff=-17\relax%460-(303+140) - \putlratom{140}{460}{\@memberb}% % left or right type - \put(171,303){\line(0,1){140}}% % single bond at F - \else\ifx\@tmpc\empty%beta single bond - \yl@xdiff=31\relax%171-140 - \yl@ydiff=-17\relax%460-(303+140) - \putlratom{140}{460}{\@memberb}% % left or right type - \put(171,303){\line(0,1){140}}% % single bond at F - \fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% -% \begin{macrocode} -\def\GFbonda@b{% - \if\@tmpc B%beta single bond - \yl@xdiff=31\relax%171-140 - \yl@ydiff=90\relax%127-(140-103) - \putlratom{140}{-127}{\@memberb}% % left or right type - {% - \thicklines% - \put(171,103){\line(0,-1){140}}% % single bond at G - }% - \else\if\@tmpc A%alpha single bond - \yl@xdiff=31\relax%171-140 - \yl@ydiff=90\relax%127-(140-103) - \putlratom{140}{-127}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(171,103){\line(0,-1){140}}% % single bond at G - }{{\thicklines% - \dottedline{20}(171,103)(171,-37)}}% - \else\if\@tmpc U%beta single bond - \yl@xdiff=31\relax%171-140 - \yl@ydiff=90\relax%127-(140-103) - \putlratom{140}{-127}{\@memberb}% % left or right type - \put(168,43){$\wr$}% unspecified single bond at G - \put(168,-8){$\wr$}% - \put(168,-57){$\wr$}% - \else\if\@tmpc S%alpha single bond - \yl@xdiff=31\relax%171-140 - \yl@ydiff=90\relax%127-(140-103) - \putlratom{140}{-127}{\@memberb}% % left or right type - \put(171,103){\line(0,-1){140}}% % single bond at G - \else\ifx\@tmpc\empty%alpha single bond - \yl@xdiff=31\relax%171-140 - \yl@ydiff=90\relax%127-(140-103) - \putlratom{140}{-127}{\@memberb}% % left or right type - \put(171,103){\line(0,-1){140}}% % single bond at G - \fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\GFbondb} -% \begin{macro}{\GFbondb@a} -% \begin{macro}{\GFbondb@b} -% \begin{macrocode} -\def\GFbondb{% -% %%%%%%%%%%%%%%%% -% subst. on 1 F == (0,406), G == (171,303) for \@fused@linkfalse -% subst. on 1 G == (0,406), F == (171,303) for \@fused@linktrue -% %%%%%%%%%%%%%%%% - \if@fused@link - \if\@tmpb G%single bond at G (5,-3) fusion - \GFbondb@a - \else\if\@tmpb F%single bond at F - \GFbondb@b - \fi\fi% - \else - \if\@tmpb F%single bond at F (5,-3) fusion - \GFbondb@a - \else\if\@tmpb G%single bond at G - \GFbondb@b - \fi\fi% - \fi -}% end of \GFbondb -% \end{macrocode} -% -% \begin{macrocode} -\def\GFbondb@a{% - \if\@tmpc B%beta single bond - \yl@xdiff=10\relax% - \yl@ydiff=22\relax% - \putlatom{-130}{466}{\@memberb}% % left type - {% - \thicklines% - \put(0,406){\line(-5,3){120}}% % single bond at F - }% - \else\if\@tmpc A%alpha single bond - \yl@xdiff=10\relax% - \yl@ydiff=22\relax% - \putlatom{-130}{466}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(0,406){\line(-5,3){120}}% % single bond at F - }{{\thicklines% -% \dottedline{20}(0,406)(-140,478)}}% - \dottedline{20}(0,406)(-120,478)}}% - \else\if\@tmpc U%unspecified single bond - \yl@xdiff=10\relax% - \yl@ydiff=22\relax% - \putlatom{-130}{466}{\@memberb}% % left type - \put(0,406){\line(-5,3){120}}% % single bond at F - \else\if\@tmpc S%beta single bond - \yl@xdiff=10\relax% - \yl@ydiff=22\relax% - \putlatom{-130}{466}{\@memberb}% % left type - \put(0,406){\line(-5,3){120}}% % single bond at F - \else\ifx\@tmpc\empty%beta single bond - \yl@xdiff=10\relax% - \yl@ydiff=22\relax% - \putlatom{-130}{466}{\@memberb}% % left type - \put(0,406){\line(-5,3){120}}% % single bond at F - \else\if\@tmpc D%beta single bond (downward) - \yl@xdiff=31\relax% - \yl@ydiff=90\relax% - \putlratom{-31}{176}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,406){\line(0,-1){140}}% % single bond at F - }% - \else\if\@tmpc C%alpha single bond (downward) - \yl@xdiff=31\relax% - \yl@ydiff=90\relax% - \putlratom{-31}{176}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,406){\line(0,-1){140}}% % single bond at F - }{{\thicklines% - \dottedline{20}(0,406)(0,266)}}% - \fi\fi\fi\fi\fi\fi\fi% -}% end of \GFbondb@a -% \end{macrocode} -% -% \begin{macrocode} -\def\GFbondb@b{% - \if\@tmpc B%beta single bond - \yl@xdiff=-10\relax% - \yl@ydiff=58\relax% - \putratom{301}{173}{\@memberb}% % right type - {% - \thicklines% - \put(171,303){\line(5,-3){120}}% % single bond at G - }% - \else\if\@tmpc A%alpha single bond - \yl@xdiff=-10\relax% - \yl@ydiff=58\relax% - \putratom{301}{173}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(171,303){\line(5,-3){120}}% % single bond at G - }{{\thicklines% - \dottedline{20}(171,303)(291,231)}}% - \else\if\@tmpc U%unspecified single bond - \yl@xdiff=-10\relax% - \yl@ydiff=58\relax% - \putratom{301}{173}{\@memberb}% % right type - \put(171,303){\line(5,-3){120}}% % single bond at G - \else\if\@tmpc S%alpha single bond - \yl@xdiff=-10\relax% - \yl@ydiff=58\relax% - \putratom{301}{173}{\@memberb}% % right type - \put(171,303){\line(5,-3){120}}% % single bond at G - \else\ifx\@tmpc\empty%alpha single bond - \yl@xdiff=-10\relax% - \yl@ydiff=58\relax% - \putratom{301}{173}{\@memberb}% % right type - \put(171,303){\line(5,-3){120}}% % single bond at G - \else\if\@tmpc D%beta single bond (upward) - \yl@xdiff=31\relax% - \yl@ydiff=-17\relax% - \putlratom{140}{460}{\@memberb}% % left or right type - {% - \thicklines% - \put(171,303){\line(0,1){140}}% % single bond at G - }% - \else\if\@tmpc C%alpha single bond (upward) - \yl@xdiff=31\relax% - \yl@ydiff=-17\relax% - \putlratom{140}{460}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(171,303){\line(0,1){140}}% % single bond at G - }{{\thicklines% - \dottedline{20}(171,303)(171,443)}}% - \fi\fi\fi\fi\fi\fi\fi% -}% end of \GFbondb@b -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\GFbondc} -% \begin{macro}{\GFbondc@a} -% \begin{macro}{\GFbondc@b} -% \begin{macrocode} -\def\GFbondc{% -% %%%%%%%%%%%%%%%% -% subst. on 2 F == (0,406), G == (-171,303) for \@fused@linkfalse -% subst. on 2 G == (0,406), F == (-171,303) for \@fused@linktrue -% %%%%%%%%%%%%%%%% -\if@fused@link - \if\@tmpb G%single bond at (-5,-3) fusion - \GFbondc@a - \else\if\@tmpb F%single bond at F - \GFbondc@b - \fi\fi% -\else - \if\@tmpb F%single bond at (-5,-3) fusion - \GFbondc@a - \else\if\@tmpb G%single bond at G - \GFbondc@b - \fi\fi% -\fi -}% end of \GFbondc -% \end{macrocode} -% -% \begin{macrocode} - \def\GFbondc@a{% - \if\@tmpc B%beta single bond - \yl@xdiff=-10\relax% - \yl@ydiff=12\relax% - \putratom{130}{466}{\@memberb}% % right type - {% - \thicklines% - \put(0,406){\line(5,3){120}}% % single bond at F - }% - \else\if\@tmpc A%alpha single bond - \yl@xdiff=-10\relax% - \yl@ydiff=12\relax% - \putratom{130}{466}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(0,406){\line(5,3){120}}% % single bond at F - }{{\thicklines% - \dottedline{20}(0,406)(120,478)}}% - \else\if\@tmpc U%unspecified single bond - \yl@xdiff=-10\relax% - \yl@ydiff=12\relax% - \putratom{130}{466}{\@memberb}% % right type - \put(0,406){\line(5,3){120}}% % single bond at F - \else\if\@tmpc S%beta single bond - \yl@xdiff=-10\relax% - \yl@ydiff=12\relax% - \putratom{130}{466}{\@memberb}% % right type - \put(0,406){\line(5,3){120}}% % single bond at F - \else\ifx\@tmpc\empty%beta single bond - \yl@xdiff=-10\relax% - \yl@ydiff=12\relax% - \putratom{130}{466}{\@memberb}% % right type - \put(0,406){\line(5,3){120}}% % single bond at F - \else\if\@tmpc D%beta single bond (downward) - \yl@xdiff=31\relax% - \yl@ydiff=90\relax% - \putlratom{-31}{176}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,406){\line(0,-1){140}}% % single bond at F - }% - \else\if\@tmpc C%alpha single bond (downward) - \yl@xdiff=31\relax% - \yl@ydiff=90\relax% - \putlratom{-31}{176}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,406){\line(0,-1){140}}% % single bond at F - }{{\thicklines% - \dottedline{20}(0,406)(0,266)}}% - \fi\fi\fi\fi\fi\fi\fi% -}% end of \GFbondc@a -% \end{macrocode} -% -% \begin{macrocode} -\def\GFbondc@b{% - \if\@tmpc B%beta single bond - \yl@xdiff=10\relax% - \yl@ydiff=59\relax% - \putlatom{-301}{173}{\@memberb}% % left type - {% - \thicklines% - \put(-171,303){\line(-5,-3){120}}% % single bond at G - }% - \else\if\@tmpc A%alpha single bond - \yl@xdiff=10\relax% - \yl@ydiff=59\relax% - \putlatom{-301}{173}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-171,303){\line(-5,-3){120}}% % single bond at G - }{{\thicklines% -% \dottedline{20}(-171,303)(-311,231)}}% - \dottedline{20}(-171,303)(-291,231)}}% - \else\if\@tmpc U%unspecified single bond - \yl@xdiff=10\relax% - \yl@ydiff=59\relax% - \putlatom{-301}{173}{\@memberb}% % left type - \put(-171,303){\line(-5,-3){120}}% single bond at G - \else\if\@tmpc S%alpha single bond - \yl@xdiff=10\relax% - \yl@ydiff=59\relax% - \putlatom{-301}{173}{\@memberb}% % left type - \put(-171,303){\line(-5,-3){120}}% single bond at G - \else\ifx\@tmpc\empty%alpha single bond - \yl@xdiff=10\relax% - \yl@ydiff=59\relax% - \putlatom{-301}{173}{\@memberb}% % left type - \put(-171,303){\line(-5,-3){120}}% single bond at G - \else\if\@tmpc D%beta single bond (upward) - \yl@xdiff=-30\relax% - \yl@ydiff=-17\relax% - \putlratom{201}{460}{\@memberb}% % left or right type - {% - \thicklines% - \put(-171,303){\line(0,1){140}}% % single bond at G - }% - \else\if\@tmpc C%alpha single bond (upward) - \yl@xdiff=-30\relax% - \yl@ydiff=-17\relax% - \putlratom{201}{460}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(-171,303){\line(0,1){140}}% % single bond at G - }{{\thicklines% - \dottedline{20}(-171,303)(-171,443)}}% - \fi\fi\fi\fi\fi\fi\fi% -}% end of \GFbondc@b -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\GFbondd} -% \begin{macrocode} -\def\GFbondd{% -% %%%%%%%%%%%%%%%%%% -% 3 fused positions % G == (303,171) F == (103,171) -% %%%%%%%%%%%%%%%%%% - \if\@tmpb G%single bond at G (fused position) - \if\@tmpc B%beta single bond - \yl@xdiff=-17\relax% - \yl@ydiff=31\relax% - \putlratom{460}{140}{\@memberb}% % left or right type - {% - \thicklines% - \put(303,171){\line(1,0){140}}% % single bond at G - }% - \else\if\@tmpc A%alpha single bond - \yl@xdiff=-17\relax% - \yl@ydiff=31\relax% - \putlratom{460}{140}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(303,171){\line(1,0){140}}% % single bond at G - }{{\thicklines% - \dottedline{20}(303,171)(443,171)}}% - \else\if\@tmpc U% unspecified single bond - \yl@xdiff=-17\relax% - \yl@ydiff=31\relax% - \putlratom{460}{140}{\@memberb}% % left or right type - \put(303,148){$\sim$}% unspecified single bond at G - \put(353,148){$\sim$}% - \put(403,148){$\sim$}% - \else\if\@tmpc S%beta single bond - \yl@xdiff=-17\relax% - \yl@ydiff=31\relax% - \putlratom{460}{140}{\@memberb}% % left or right type - \put(303,171){\line(1,0){140}}% % single bond at G - \else\ifx\@tmpc\empty%beta single bond - \yl@xdiff=-17\relax% - \yl@ydiff=31\relax% - \putlratom{460}{140}{\@memberb}% % left or right type - \put(303,171){\line(1,0){140}}% % single bond at G - \fi\fi\fi\fi\fi% - \else\if\@tmpb F%single bond at F (fused position) - \if\@tmpc B%beta single bond - \yl@xdiff=20\relax% - \yl@ydiff=31\relax% -% \putlratom{-127}{140}{\@memberb}% % left or right type - \putlatom{-57}{140}{\@memberb}% % left type - {% - \thicklines% - \put(103,171){\line(-1,0){140}}% % single bond at F - }% - \else\if\@tmpc A%alpha single bond - \yl@xdiff=20\relax% - \yl@ydiff=31\relax% -% \putlratom{-127}{140}{\@memberb}% % left or right type - \putlatom{-57}{140}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(103,171){\line(-1,0){140}}% % single bond at F - }{{\thicklines% - \dottedline{20}(103,171)(-37,171)}}% - \else\if\@tmpc U%beta single bond - \yl@xdiff=20\relax% - \yl@ydiff=31\relax% - \putlatom{-57}{140}{\@memberb}% % left type -% \putlratom{-127}{140}{\@memberb}% % left or right type - \put(40,148){$\sim$}% unspecified single bond at F - \put(-13,148){$\sim$}% - \put(-62,148){$\sim$}% - \else\if\@tmpc S%alpha single bond - \yl@xdiff=20\relax% - \yl@ydiff=31\relax% - \putlatom{-57}{140}{\@memberb}% % left type -% \putlratom{-127}{140}{\@memberb}% % left or right type - \put(103,171){\line(-1,0){140}}% % single bond at F - \else\ifx\@tmpc\empty%alpha single bond - \yl@xdiff=20\relax% - \yl@ydiff=31\relax% - \putlatom{-57}{140}{\@memberb}% % left type -% \putlratom{-127}{140}{\@memberb}% % left or right type - \put(103,171){\line(-1,0){140}}% % single bond at F - \fi\fi\fi\fi\fi% - \fi\fi% -}% end of \GFbondd -% \end{macrocode} -% \end{macro} -% -% The |\setfusedbond| takes 5 arguments. -% -% \begin{verbatim} -% ****************************************************** -% * setting of atoms and bonds at fused bond positions * -% ****************************************************** -% -% \setfusedbond{SUBSLIST}{AD}{LOWER}{UPPER}{ORDER} -% \end{verbatim} -% -% The first argument |SUBSLIST| is a list of substituents, which is -% represented in the standard format of \XyMTeX{}. -% Substituents at the fused positions (vertical bonds) are designated by -% the number 0 and the following bond modifiers. -% They are placed by means of the |\GFbonda| command. -% -% \begin{verbatim} -% SUBSLIST: list of substituents (max 3 substitution positions) -% -% for 0 (vertical (0,1) fused positions) -% F == (171,303) G == (171,103) -% -% 0FA : alpha single bond at F -% 0FB : beta single bond at F -% 0FU : unspecified single bond at F -% 0GA : alpha single bond at G -% 0GB : beta single bond at G -% 0GU : unspecified single bond at G -% -% \end{verbatim} -% -% Substituents at the fused positions (diagonal bonds) are designated by -% the number 1 and the following bond modifiers. -% They are placed by means of the |\GFbondb| command. -% \begin{verbatim} -% for 1 (diagonal (5,-3) fused positions) -% F == (0,406), G == (171,303) -% -% 1FA : alpha single bond at F -% 1FB : beta single bond at F -% 1FC : alpha single bond (downward) at F -% 1FD : beta single bond (downward) at F -% 1FU : unspecified single bond at F -% 1GA : alpha single bond at G -% 1GB : beta single bond at G -% 1GC : alpha single bond (upward) at G -% 1GD : beta single bond (upward) at G -% 1GU : unspecified single bond at G -% -% \end{verbatim} -% -% Substituents at the fused positions (other diagonal bonds) are designated by -% the number 2 and the following bond modifiers. -% They are placed by means of the |\GFbondc| command. -% \begin{verbatim} -% for 2 (diagonal (-5,-3) fused positions) -% F == (0,406), G == (-171,303) -% -% 2FA : alpha single bond at F -% 2FB : beta single bond at F -% 2FC : alpha single bond (upward) at F -% 2FD : beta single bond (upward) at F -% 2FU : unspecified single bond at F -% 2GA : alpha single bond at G -% 2GB : beta single bond at G -% 2GC : alpha single bond (downward) at G -% 2GD : beta single bond (downward) at G -% 2GU : unspecified single bond at G -% -% \end{verbatim} -% -% Substituents at the fused positions (horizontal bonds) are designated by -% the number 3 and the following bond modifiers. -% They are placed by means of the |\GFbondd| command. -% \begin{verbatim} -% for 3 (horizontal (1,0) fused positions) -% G == (303,171) F == (103,171) -% %%%% F == (303,171) G == (103,171) -% -% 3FA : alpha single bond at F -% 3FB : beta single bond at F -% 3FU : unspecified single bond at F -% 3GA : alpha single bond at G -% 3GB : beta single bond at G -% 3GU : unspecified single bond at G -% \end{verbatim} -% -% The second argument |AD| is an adjustment value, which adjusts the original -% set of locant numbers into the standard one between 0 to 3 for drawing -% substituents on fused positions. -% The effective range of the standared set of locant numbers is -% restricted by the auguments |LOWER| and |UPPER|. A minus value of -% the last argument shows the anti-clockwise numbering, while zero or -% a plus value represents the clockwise numbering. -% -% \begin{verbatim} -% -% AD : adjustment e.g. 0 for six-membered rings -% LOWER : lower limit LOWER < effective range < UPPER -% UPPER : upper limit -% ORDER : >= 0 clockwise, <0 anti-clockwise -% -% \end{verbatim} -% -% \changes{v1.02}{1998/10/31}{Adding the \cs{\@memberb=\@y} condition} -% \changes{v1.02}{1998/10/31}{Separate \cs{GFbonda} etc.} -% -% \begin{macro}{\setfusedbond} -% \begin{macrocode} -\newif\if@fused@link \@fused@linkfalse -\def\setfusedbond#1#2#3#4#5{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifnum#5<0\relax% -\@tmpaa=-\@tmpa\relax\advance\@tmpaa by #2\relax\@fused@linktrue -\else\@tmpaa=\@tmpa\relax\advance\@tmpaa by #2\relax -\@fused@linkfalse\fi% -\ifnum\@tmpaa >#3\relax% -\ifnum\@tmpaa <#4\relax% -% \end{macrocode} -% -% \begin{macrocode} -\ifcase\@tmpaa% -% %%%%%%%%%%%%%%%%%% -% 0 fused positions % F == (171,303) G == (171,103) -% %%%%%%%%%%%%%%%%%% -\GFbonda -% %%%%%%%%%%%%%%%% -\or% subst. on 1 F == (0,406), G == (171,303) -% %%%%%%%%%%%%%%%% -\GFbondb -% %%%%%%%%%%%%%%%% -\or% subst. on 2 F == (0,406), G == (-171,303) for \@fused@linkfalse - % subst. on 2 G == (0,406), F == (-171,303) for \@fused@linktrue -% %%%%%%%%%%%%%%%% -\GFbondc -% %%%%%%%%%%%%%%%%%% -\or %3 fused positions % G == (303,171) F == (103,171) -% %%%%%%%%%%%%%%%%%% -\GFbondd -\fi%end of ifcase -\fi\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% -% \subsection{Setting-up substituents and bonds at a given postion} -% -% The |\setatombond| takes 3 arguments. -% -% \begin{verbatim} -% ******************************************************** -% * setting of atoms and bonds at an appropiate position * -% ******************************************************** -% -% \setatombond{SUBSLIST}{AD}{SLOPE} -% \end{verbatim} -% -% The first argument |SUBSLIST| is a list of substituents, which is -% represented in the standard format of \XyMTeX{}. -% Substituents at the fused positions (vertical bonds) are designated by -% the number 0 and the following bond modifiers. -% -% \begin{verbatim} -% SUBSLIST: list of substituents (max 3 substitution positions) -% \end{verbatim} -% -% The second argument |AD| is an adjustment value, which adjusts the original -% locant number into 1. -% -% \begin{verbatim} -% AD : adjustment, -% Set AD as being 1 = position number - AD -% \end{verbatim} -% -% The argument |SLOPE| has the following meanings. -% \begin{verbatim} -% SLOPE -% -% 1 : (0,1) 7 : (0,-1) -% 2 : (3,5) 8 : (-3,-5) -% 3 : (5,3) 9 : (-5,-3) -% 4 : (1,0) 10 : (-1,0) -% 5 : (5,-3) 11 : (-5,3) -% 6 : (3,-5) 12 : (-3,5) -% \end{verbatim} -% -% \changes{v1.02}{1998/10/14}{The bond-setting commands such as -% \cs{setatombonda} ... \cs{setatombondh} are separated from -% the original \cs{setatombond}.} -% -% \begin{macro}{\setatombond} -% \begin{macrocode} -\newif\if@clipfuse \@clipfusefalse -\def\setatombond#1#2#3{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\@tmpaa=\@tmpa\relax\advance\@tmpaa by #2\relax -\ifx\@memberb\@yl\else -\ifnum\@tmpaa >0\relax% -\ifnum\@tmpaa <2\relax% -\ifcase\@tmpaa% -% %%%%%%%%%%%%%%%% -\or% subst. on 1 -% %%%%%%%%%%%%%%%% -% -% (0,1) -% - \ifnum#3=1\relax%(upward) - \setatombonda -% -% (1,0) -% - \else\ifnum#3=4\relax%(right) - \setatombondb -% -% (0,-1) -% - \else\ifnum#3=7\relax%(downward) - \setatombondc -% -% (-5,3) -% - \else\ifnum#3=11\relax% - \setatombondd -% -% (5,-3) -% - \else\ifnum#3=5\relax% - \setatombonde -% -% (5,3) -% - \else\ifnum#3=3\relax% - \setatombondf -% -% (-5,-3) -% - \else\ifnum#3=9\relax% - \setatombondg -% -% (-1,0) -% - \else\ifnum#3=10\relax%(left) - \setatombondh -\fi\fi\fi\fi\fi\fi\fi\fi% -\fi%end of ifcase -\fi\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% -% The command |\setatombond| uses the following bond-setting -% commands. -% -% \begin{macro}{\setatombonda} -% \begin{macro}{\setatombondb} -% \begin{macro}{\setatombondc} -% \begin{macro}{\setatombondd} -% \begin{macro}{\setatombonde} -% \begin{macro}{\setatombondf} -% \begin{macro}{\setatombondg} -% \begin{macro}{\setatombondh} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -\def\setatombonda{%upward (0,1) - \if@clipfuse% - \if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - {% - \thicklines% -% \put(0,30){\line(0,1){110}}% % single bond at 1 - \put(0,40){\line(0,1){100}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \@ifundefined{dottedline}{% -% \put(0,30){\line(0,1){110}}% % single bond at 1 - \put(0,40){\line(0,1){100}}% % single bond at 1 - }{{\thicklines% -% \dottedline{20}(0,30)(0,140)}}% - \dottedline{20}(0,40)(0,140)}}% - \else\if\@tmpb U% unspecified single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(-3,30){$\wr$}% unspecified single bond at 1 - \put(-3,80){$\wr$}% - \else\if\@tmpb S%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax -% \put(0,30){\line(0,1){110}}% % single bond at 1 - \put(0,40){\line(0,1){100}}% % single bond at 1 - \else\if\@tmpb D%double bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(-10,40){\line(0,1){100}}% % single bond at 1 - \put(10,40){\line(0,1){100}}% % single bond at 1 - \else\if\@tmpb T%double bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(-15,40){\line(0,1){100}}% % single bond at 1 - \put(0,40){\line(0,1){100}}% % single bond at 1 - \put(15,40){\line(0,1){100}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax -% \put(0,30){\line(0,1){110}}% % single bond at 1 - \put(0,40){\line(0,1){100}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlratom{-31}{157}{\@memberb}% % left or right type - \else%no clip - \if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - {% - \thicklines% - \put(0,0){\line(0,1){140}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \@ifundefined{dottedline}{% - \put(0,0){\line(0,1){140}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(0,140)}}% - \else\if\@tmpb U% unspecified single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(-3,0){$\wr$}% unspecified single bond at 1 - \put(-3,50){$\wr$}% - \put(-3,100){$\wr$}% - \else\if\@tmpb S%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(0,0){\line(0,1){140}}% % single bond at 1 - \else\if\@tmpb D%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(-10,0){\line(0,1){140}}% % single bond at 1 - \put(10,0){\line(0,1){140}}% % single bond at 1 - \else\if\@tmpb T%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(-15,0){\line(0,1){140}}% % single bond at 1 - \put(0,0){\line(0,1){140}}% % single bond at 1 - \put(15,0){\line(0,1){140}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(0,0){\line(0,1){140}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlratom{-31}{157}{\@memberb}% % left or right type - \fi% -}% end of \setatombonda -% \end{macrocode} -% -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -\def\setatombondb{%(right) (1,0) - \if@clipfuse% - \if\@tmpb B%beta single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - {% - \thicklines% - \put(30,0){\line(1,0){110}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \@ifundefined{dottedline}{% - \put(30,0){\line(1,0){110}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(30,0)(140,0)}}% - \else\if\@tmpb U%beta single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \put(30,0){\line(1,0){110}}% % single bond at 1 - \else\if\@tmpb S%alpha single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \put(40,0){\line(1,0){100}}% % single bond at 1 - \else\if\@tmpb D%alpha single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \put(40,10){\line(1,0){100}}% % single bond at 1 - \put(40,-10){\line(1,0){100}}% % single bond at 1 - \else\if\@tmpb T%alpha single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \put(40,15){\line(1,0){100}}% % single bond at 1 - \put(40,0){\line(1,0){100}}% % single bond at 1 - \put(40,-15){\line(1,0){100}}% % single bond at 1 - \else\ifx\@tmpb\empty%alpha single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \put(40,0){\line(1,0){100}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{157}{-31}{\@memberb}% % right type only - \else% - \if\@tmpb B%beta single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - {% - \thicklines% - \put(0,0){\line(1,0){140}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \@ifundefined{dottedline}{% - \put(0,0){\line(1,0){140}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(140,0)}}% - \else\if\@tmpb U%beta single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \put(0,0){\line(1,0){140}}% % single bond at 1 - \else\if\@tmpb S%alpha single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \put(0,0){\line(1,0){140}}% % single bond at 1 - \else\if\@tmpb D%alpha single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \put(0,10){\line(1,0){140}}% % single bond at 1 - \put(0,-10){\line(1,0){140}}% % single bond at 1 - \else\if\@tmpb T%alpha single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \put(0,-15){\line(1,0){140}}% % single bond at 1 - \put(0,0){\line(1,0){140}}% % single bond at 1 - \put(0,15){\line(1,0){140}}% % single bond at 1 - \else\ifx\@tmpb\empty%alpha single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \put(0,0){\line(1,0){140}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{157}{-31}{\@memberb}% % right type only - \fi% -}% end of \setatombondb -% \end{macrocode} -% -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -\def\setatombondc{%(downward) (0,-1) - \if@clipfuse% - \if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - {% - \thicklines% -% \put(0,-30){\line(0,-1){110}}% % single bond at 1 - \put(0,-40){\line(0,-1){100}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \@ifundefined{dottedline}{% -% \put(0,-30){\line(0,-1){110}}% % single bond at 1 - \put(0,-40){\line(0,-1){100}}% % single bond at 1 - }{{\thicklines% -% \dottedline{20}(0,-30)(0,-140)}}% - \dottedline{20}(0,-40)(0,-140)}}% - \else\if\@tmpb U%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \put(-3,-90){$\wr$}% unspecified single bond at 1 - \put(-3,-140){$\wr$}% - \else\if\@tmpb S%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax -% \put(0,-30){\line(0,-1){110}}% % single bond at 1 - \put(0,-40){\line(0,-1){100}}% % single bond at 1 - \else\if\@tmpb D%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \put(10,-40){\line(0,-1){100}}% % single bond at 1 - \put(-10,-40){\line(0,-1){100}}% % single bond at 1 - \else\if\@tmpb T%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \put(15,-40){\line(0,-1){100}}% % single bond at 1 - \put(0,-40){\line(0,-1){100}}% % single bond at 1 - \put(-15,-40){\line(0,-1){100}}% % single bond at 1 - \else\ifx\@tmpb\empty%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax -% \put(0,-30){\line(0,-1){110}}% % single bond at 1 - \put(0,-40){\line(0,-1){100}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlratom{-31}{-230}{\@memberb}% % left or right type - \else%no clipping - \if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - {% - \thicklines% - \put(0,0){\line(0,-1){140}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \@ifundefined{dottedline}{% - \put(0,0){\line(0,-1){140}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(0,-140)}}% - \else\if\@tmpb U%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \put(-3,-60){$\wr$}% unspecified single bond at 1 - \put(-3,-110){$\wr$}% - \put(-3,-160){$\wr$}% - \else\if\@tmpb S%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \put(0,0){\line(0,-1){140}}% % single bond at 1 - \else\if\@tmpb D%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \put(10,0){\line(0,-1){140}}% % single bond at 1 - \put(-10,0){\line(0,-1){140}}% % single bond at 1 - \else\if\@tmpb T%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \put(15,0){\line(0,-1){140}}% % single bond at 1 - \put(0,0){\line(0,-1){140}}% % single bond at 1 - \put(-15,0){\line(0,-1){140}}% % single bond at 1 - \else\ifx\@tmpb\empty%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \put(0,0){\line(0,-1){140}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlratom{-31}{-230}{\@memberb}% % left or right type - \fi% -}% end of \setatombondc -% \end{macrocode} -% -% \begin{macrocode} -\def\setatombondd{% (-5,3) - \if@clipfuse% - \yl@xdiff=-10\relax - \yl@ydiff=18\relax - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(-30,18){\line(-5,3){100}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(-30,18){\line(-5,3){100}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(-30,18)(-130,78)}}% - \else\if\@tmpb U%unspecified single bond - \put(-30,18){\line(-5,3){100}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(-30,18){\line(-5,3){100}}% % single bond at 1 - \else\if\@tmpb D%beta single bond - \put(-36,8){\line(-5,3){100}}% % single bond at 1 - \put(-24,24){\line(-5,3){100}}% % single bond at 1 - \else\if\@tmpb T%beta single bond - \put(-39,3){\line(-5,3){100}}% % single bond at 1 - \put(-30,18){\line(-5,3){100}}% % single bond at 1 - \put(-21,33){\line(-5,3){100}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(-30,18){\line(-5,3){100}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-130}{60}{\@memberb}% % left type - \else%no clipping - \yl@xdiff=-10\relax - \yl@ydiff=18\relax - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(0,0){\line(-5,3){130}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(0,0){\line(-5,3){130}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(-130,78)}}% - \else\if\@tmpb U%unspecified single bond - \put(0,0){\line(-5,3){130}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(0,0){\line(-5,3){130}}% % single bond at 1 - \else\if\@tmpb D%beta single bond - \put(6,10){\line(-5,3){130}}% % single bond at 1 - \put(-6,-10){\line(-5,3){130}}% % single bond at 1 - \else\if\@tmpb T%beta single bond - \put(9,15){\line(-5,3){130}}% % single bond at 1 - \put(0,0){\line(-5,3){130}}% % single bond at 1 - \put(-9,-15){\line(-5,3){130}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(0,0){\line(-5,3){130}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-130}{60}{\@memberb}% % left type - \fi% -}% end of \setatombondd -% \end{macrocode} -% -% \begin{macrocode} -\def\setatombonde{%(5,-3) - \if@clipfuse% - \yl@xdiff=-10\relax - \yl@ydiff=52\relax - \if\@tmpb B%beta single bond - {% - \thicklines% -% \put(20,-12){\line(5,-3){100}}% % single bond at 1 - \put(30,-18){\line(5,-3){100}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond -% \putratom{301}{173}{\@memberb}% % right type - \@ifundefined{dottedline}{% -% \put(20,-12){\line(5,-3){100}}% % single bond at 1 - \put(30,-18){\line(5,-3){100}}% % single bond at 1 - }{{\thicklines% -% \dottedline{20}(20,-12)(120,-72)}}% - \dottedline{20}(30,-18)(130,-78)}}% - \else\if\@tmpb U%unspecified single bond - \put(30,-18){\line(5,-3){100}}% % single bond at 1 -% \put(20,-12){\line(5,-3){100}}% % single bond at 1 - \else\if\@tmpb S%alpha single bond - \put(30,-18){\line(5,-3){100}}% % single bond at 1 -% \put(20,-12){\line(5,-3){100}}% % single bond at 1 - \else\if\@tmpb D%alpha single bond - \put(36,-12){\line(5,-3){100}}% % single bond at 1 - \put(24,-28){\line(5,-3){100}}% % single bond at 1 - \else\if\@tmpb T%alpha single bond - \put(39,-3){\line(5,-3){100}}% % single bond at 1 - \put(30,-18){\line(5,-3){100}}% % single bond at 1 - \put(21,-33){\line(5,-3){100}}% % single bond at 1 - \else\ifx\@tmpb\empty%alpha single bond - \put(30,-18){\line(5,-3){100}}% % single bond at 1 -% \put(20,-12){\line(5,-3){100}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{140}{-130}{\@memberb}% % right type -% \putratom{130}{-130}{\@memberb}% % right type - \else%no clipping - \yl@xdiff=-10\relax - \yl@ydiff=52\relax - \if\@tmpb B%beta single bond - {% - \thicklines% -% \put(0,0){\line(5,-3){120}}% % single bond at 1 - \put(0,0){\line(5,-3){130}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond -% \putratom{301}{173}{\@memberb}% % right type - \@ifundefined{dottedline}{% -% \put(0,0){\line(5,-3){120}}% % single bond at 1 - \put(0,0){\line(5,-3){130}}% % single bond at 1 - }{{\thicklines% -% \dottedline{20}(0,0)(120,-72)}}% - \dottedline{20}(0,0)(130,-78)}}% - \else\if\@tmpb U%unspecified single bond -% \put(0,0){\line(5,-3){120}}% % single bond at 1 - \put(0,0){\line(5,-3){130}}% % single bond at 1 - \else\if\@tmpb S%alpha single bond -% \put(0,0){\line(5,-3){120}}% % single bond at 1 - \put(0,0){\line(5,-3){130}}% % single bond at 1 - \else\if\@tmpb D%alpha single bond - \put(6,10){\line(5,-3){130}}% % single bond at 1 - \put(-6,-10){\line(5,-3){130}}% % single bond at 1 - \else\if\@tmpb T%alpha single bond - \put(9,15){\line(5,-3){130}}% % single bond at 1 - \put(0,0){\line(5,-3){130}}% % single bond at 1 - \put(-9,-15){\line(5,-3){130}}% % single bond at 1 - \else\ifx\@tmpb\empty%alpha single bond -% \put(0,0){\line(5,-3){120}}% % single bond at 1 - \put(0,0){\line(5,-3){130}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{140}{-130}{\@memberb}% % right type - \fi% -}% end of \setatombonde -% \end{macrocode} -% -% \begin{macrocode} -\def\setatombondf{%% (5,3) - \if@clipfuse% - \yl@xdiff=-10\relax - \yl@ydiff=18\relax - \if\@tmpb B%beta single bond - {% - \thicklines% -% \put(20,12){\line(5,3){100}}% % single bond at 1 - \put(30,18){\line(5,3){100}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(30,18){\line(5,3){100}}% % single bond at 1 -% \put(20,12){\line(5,3){100}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(30,18)(130,78)}}% -% \dottedline{20}(0,406)(120,72)}}% - \else\if\@tmpb U%unspecified single bond - \put(30,18){\line(5,3){100}}% % single bond at 1 -% \put(20,12){\line(5,3){100}}% % single bond at 1 - \else\if\@tmpb S%beta single bond -% \put(20,12){\line(5,3){100}}% % single bond at 1 - \put(30,18){\line(5,3){100}}% % single bond at 1 - \else\if\@tmpb D%beta single bond - \put(36,8){\line(5,3){100}}% % single bond at 1 - \put(24,24){\line(5,3){100}}% % single bond at 1 - \else\if\@tmpb T%beta single bond - \put(39,3){\line(5,3){100}}% % single bond at 1 - \put(30,18){\line(5,3){100}}% % single bond at 1 - \put(21,33){\line(5,3){100}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(30,18){\line(5,3){100}}% % single bond at 1 -% \put(20,12){\line(5,3){100}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{140}{60}{\@memberb}% % right type -% \putratom{130}{60}{\@memberb}% % right type - \else%no clipping - \yl@xdiff=-10\relax - \yl@ydiff=18\relax - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(0,0){\line(5,3){130}}% % single bond at 1 -% \put(0,0){\line(5,3){120}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond -% \putratom{130}{466}{\@memberb}% % right type - \@ifundefined{dottedline}{% -% \put(0,0){\line(5,3){120}}% % single bond at 1 - \put(0,0){\line(5,3){130}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(130,78)}}% -% \dottedline{20}(0,406)(120,72)}}% - \else\if\@tmpb U%unspecified single bond -% \put(0,0){\line(5,3){120}}% % single bond at 1 - \put(0,0){\line(5,3){130}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(0,0){\line(5,3){130}}% % single bond at 1 -% \put(0,0){\line(5,3){120}}% % single bond at 1 - \else\if\@tmpb D%beta single bond - \put(6,-10){\line(5,3){130}}% % single bond at 1 - \put(-6,10){\line(5,3){130}}% % single bond at 1 - \else\if\@tmpb T%beta single bond - \put(9,-15){\line(5,3){130}}% % single bond at 1 - \put(0,0){\line(5,3){130}}% % single bond at 1 - \put(-9,15){\line(5,3){130}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond -% \put(0,0){\line(5,3){120}}% % single bond at 1 - \put(0,0){\line(5,3){130}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{140}{60}{\@memberb}% % right type -% \putratom{130}{60}{\@memberb}% % right type - \fi% -}% end of \setatombondf -% \end{macrocode} -% -% \begin{macrocode} -\def\setatombondg{%% (-5,-3) - \if@clipfuse% - \yl@xdiff=0\relax -% \yl@ydiff=62\relax - \yl@ydiff=52\relax%1999/1/6 by Shinsaku Fujita - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(-30,-18){\line(-5,-3){100}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(-30,-18){\line(-5,-3){100}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(-20,-12)(-120,-72)}}% - \else\if\@tmpc U%unspecified single bond - \put(-30,-18){\line(-5,-3){100}}% % single bond at 1 - \else\if\@tmpc S%alpha single bond - \put(-30,-18){\line(-5,-3){100}}% % single bond at 1 - \else\if\@tmpb D%double bond - \put(-36,-12){\line(-5,-3){100}}% % single bond at 1 - \put(-24,-28){\line(-5,-3){100}}% % single bond at 1 - \else\if\@tmpb T%triple bond - \put(-39,-3){\line(-5,-3){100}}% % single bond at 1 - \put(-30,-18){\line(-5,-3){100}}% % single bond at 1 - \put(-21,-33){\line(-5,-3){100}}% % single bond at 1 - \else\ifx\@tmpc\empty%alpha single bond - \put(-30,-18){\line(-5,-3){100}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-130}{-130}{\@memberb}% % left type - \else% - \yl@xdiff=0\relax -% \yl@ydiff=62\relax - \yl@ydiff=52\relax%1999/1/6 by Shinsaku Fujita - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(0,0){\line(-5,-3){130}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(0,0){\line(-5,-3){130}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(-130,-78)}}% - \else\if\@tmpc U%unspecified single bond - \put(0,0){\line(-5,-3){130}}% % single bond at 1 - \else\if\@tmpc S%alpha single bond - \put(0,0){\line(-5,-3){130}}% % single bond at 1 - \else\if\@tmpb D%alpha single bond - \put(-6,10){\line(-5,-3){130}}% % single bond at 1 - \put(6,-10){\line(-5,-3){130}}% % single bond at 1 - \else\if\@tmpb T%alpha single bond - \put(-9,15){\line(-5,-3){130}}% % single bond at 1 - \put(0,0){\line(-5,-3){130}}% % single bond at 1 - \put(9,-15){\line(-5,-3){130}}% % single bond at 1 - \else\ifx\@tmpc\empty%alpha single bond - \put(0,0){\line(-5,-3){130}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-130}{-130}{\@memberb}% % left type - \fi% -}% end of \setatombondg -% \end{macrocode} -% -% \begin{macrocode} -\def\setatombondh{% (-1,0) - \yl@xdiff=17\relax - \yl@ydiff=31\relax - \if@clipfuse% - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(-30,0){\line(-1,0){110}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(-30,0){\line(-1,0){110}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(-30,0)(-140,0)}}% - \else\if\@tmpb U%beta single bond - \put(-30,0){\line(-1,0){110}}% % single bond at 1 - \else\if\@tmpb S%alpha single bond - \put(-40,0){\line(-1,0){100}}% % single bond at 1 - \else\if\@tmpb D%alpha single bond - \put(-40,10){\line(-1,0){100}}% % single bond at 1 - \put(-40,-10){\line(-1,0){100}}% % single bond at 1 - \else\if\@tmpb T%alpha single bond - \put(-40,15){\line(-1,0){100}}% % single bond at 1 - \put(-40,0){\line(-1,0){100}}% % single bond at 1 - \put(-40,-15){\line(-1,0){100}}% % single bond at 1 - \else\ifx\@tmpb\empty%alpha single bond - \put(-40,0){\line(-1,0){100}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-157}{-31}{\@memberb}% % left type only - \else% - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(0,0){\line(-1,0){140}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(0,0){\line(-1,0){140}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(-140,0)}}% - \else\if\@tmpb U%beta single bond - \put(0,0){\line(-1,0){140}}% % single bond at 1 - \else\if\@tmpb S%alpha single bond - \put(0,0){\line(-1,0){140}}% % single bond at 1 - \else\if\@tmpb D%alpha single bond - \put(0,10){\line(-1,0){140}}% % single bond at 1 - \put(0,-10){\line(-1,0){140}}% % single bond at 1 - \else\if\@tmpb T%alpha single bond - \put(0,-15){\line(-1,0){140}}% % single bond at 1 - \put(0,0){\line(-1,0){140}}% % single bond at 1 - \put(0,15){\line(-1,0){140}}% % single bond at 1 - \else\ifx\@tmpb\empty%alpha single bond - \put(0,0){\line(-1,0){140}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-157}{-31}{\@memberb}% % left type only - \fi% -}% end of \setatombondh -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The macro |\ylatombondposition| is used to calculate the shift values -% (|\@ylii| and |\@yli|) for applying the |\setatombond| command. -% \changes{v1.02}{1998/10/15}{New command: \cs{ylatombondposition} -% for setting substituents} -% -% \begin{macro}{\ylatombondposition} -% \begin{macrocode} -\def\ylatombondposition#1#2#3{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\@tmpaa=\@tmpa\relax\advance\@tmpaa by #2\relax -\ifnum\@tmpaa >0\relax% -\ifnum\@tmpaa <2\relax% -\ifcase\@tmpaa% -% %%%%%%%%%%%%%%%% -\or% subst. on 1 -% %%%%%%%%%%%%%%%% -% -% (0,1) -% - \ifnum#3=1\relax%upward - \if@clipfuse% - \gdef\@ylii{0}\gdef\@yli{-48}\global\@ylswtrue% - \else - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% - \fi -% \setatombonda -% -% (1,0) -% - \else\ifnum#3=4\relax%(right) - \if@clipfuse% - \gdef\@ylii{-40}\gdef\@yli{0}\global\@ylswtrue% - \else - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% - \fi -% \setatombondb -% -% (0,-1) -% - \else\ifnum#3=7\relax%(downward) - \if@clipfuse% - \gdef\@ylii{0}\gdef\@yli{48}\global\@ylswtrue% - \else - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% - \fi -% \setatombondc -% -% (-5,3) -% - \else\ifnum#3=11\relax% - \if@clipfuse% - \gdef\@ylii{50}\gdef\@yli{-30}\global\@ylswtrue% - \else - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% - \fi -% \setatombondd -% -% (5,-3) -% - \else\ifnum#3=5\relax% - \if@clipfuse% - \gdef\@ylii{-50}\gdef\@yli{30}\global\@ylswtrue% - \else - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% - \fi -% \setatombonde -% -% (5,3) -% - \else\ifnum#3=3\relax% - \if@clipfuse% - \gdef\@ylii{-50}\gdef\@yli{-30}\global\@ylswtrue% - \else - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% - \fi -% \setatombondf -% -% (-5,-3) -% - \else\ifnum#3=9\relax% - \if@clipfuse% - \gdef\@ylii{50}\gdef\@yli{30}\global\@ylswtrue% - \else - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% - \fi -% \setatombondg -% -% (-1,0) -% - \else\ifnum#3=10\relax%(left) - \if@clipfuse% - \gdef\@ylii{40}\gdef\@yli{0}\global\@ylswtrue% - \else - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% - \fi -% \setatombondh -\fi\fi\fi\fi\fi\fi\fi\fi% -\fi%end of ifcase -\fi\fi\fi\fi% -\fi}}% end of \ylatombondposition -% \end{macrocode} -% \end{macro} -% -% \section{Macros for horizontal formulas} -% \subsection{Placing substituents for horizontal formulas} -% -% Such a drawing command as |\setsixringh| uses several inner macros -% for placing substituents with bonds. The first set of inner macros -% are shown as follows. -% -% The command |\ylpositionh| is to obtain the shift values -% |\@ylii| and |\@yli| which are used for shifting the standard point -% of a substituent. -% The locant flags such as |\@ylatrue| have been stopped to use. -% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}. -% Commands for setting substituents} -% -% \begin{macro}{\ylpositionh} -% \begin{macrocode} -\def\ylpositionh#1#2#3#4#5{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}\relax% -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifnum#5<0\relax% -\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax% -\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax\fi -\ifnum\@tmpaa>#3\relax% -\ifnum\@tmpaa<#4\relax% -\ifcase\@tmpaa%0 omit - \or\ifx\aaa\empty - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%\@ylatrue% subst. on 1 - \else - \gdef\@ylii{30}\gdef\@yli{0}\global\@ylswtrue%\@ylatrue% subst. on 1 - \fi - \or\ifx\bbb\empty - \gdef\@ylii{-103}\gdef\@yli{-171}\global\@ylswtrue%\@ylbtrue% subst. on 2 - \else - \gdef\@ylii{-73}\gdef\@yli{-223}\global\@ylswtrue%\@ylbtrue% subst. on 2 - \fi - \or \ifx\ccc\empty - \gdef\@ylii{-303}\gdef\@yli{-171}\global\@ylswtrue%\@ylctrue% subst. on 3 - \else - \gdef\@ylii{-333}\gdef\@yli{-223}\global\@ylswtrue%\@ylctrue% subst. on 3 - \fi - \or\ifx\ddd\empty - \gdef\@ylii{-406}\gdef\@yli{0}\global\@ylswtrue%\@yldtrue% subst. on 4 - \else - \gdef\@ylii{-436}\gdef\@yli{0}\global\@ylswtrue%\@yldtrue% subst. on 4 - \fi - \or\ifx\eee\empty - \gdef\@ylii{-303}\gdef\@yli{171}\global\@ylswtrue%\@yletrue% subst. on 5 - \else - \gdef\@ylii{-333}\gdef\@yli{223}\global\@ylswtrue%\@yletrue% subst. on 5 - \fi - \or \ifx\fff\empty - \gdef\@ylii{-103}\gdef\@yli{171}\global\@ylswtrue%\@ylftrue% subst. on 6 - \else - \gdef\@ylii{-73}\gdef\@yli{223}\global\@ylswtrue%\@ylftrue% subst. on 6 - \fi -\fi%end of ifcase -\fi\fi\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% The |\@hsubsta| command is used for placing a substituent (|\@memberb|) at -% the 1-position (top) of a vertical six-membered ring. The bond linking -% between the substituent and the 1-position is drawn in the light of -% the corresponding bond modifier (|\@tmpc| = Sa, Sb, SA, SB etc.). -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/15}{Added bond modifiers: FA, FB, GA, GB, Su, Sd} -% \begin{macro}{\@hsubsta} -% ************************************************************* -% * treatment of substitution positions for a horizontal type * -% ************************************************************* -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 1 % -% %%%%%%%%%%%%%%% -\def\@hsubsta{% -\if@aclip %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=17\relax - \yl@ydiff=31\relax - \putlatom{-157}{-31}{\@memberb}% % left type only - \put(-30,0){\line(-1,0){110}}% % single bond at 1 - \else\if\@tmpc B%(B) beta - \yl@xdiff=27\relax - \yl@ydiff=36\relax - \putlatom{-157}{42}{\@memberb}% % left type - {% - \thicklines% - \put(-30,18){\line(-5,3){100}}% % single bond at 1 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=37\relax - \yl@ydiff=28\relax - \putlatom{-157}{-100}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-30,-18){\line(-5,-3){100}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(-30,-18)(-120,-72)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=37\relax - \yl@ydiff=28\relax - \putlatom{-157}{-100}{\@memberb}% % left type - {% - \thicklines% - \put(-30,-18){\line(-5,-3){100}}% % single bond at 1 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=27\relax - \yl@ydiff=36\relax - \putlatom{-157}{42}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-30,18){\line(-5,3){100}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(-30,18)(-130,78)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=27\relax - \yl@ydiff=36\relax - \putlatom{-157}{42}{\@memberb}% % left type - \put(-30,18){\line(-5,3){100}}% % single bond at 1 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=27\relax - \yl@ydiff=28\relax - \putlatom{-157}{-100}{\@memberb}% % left type - \put(-30,-18){\line(-5,-3){100}}% % single bond at 1 - \fi\fi\fi\fi\fi - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=17\relax - \yl@ydiff=31\relax - \putlatom{-157}{-31}{\@memberb}% % left type only - \put(-30,-12){\line(-1,0){110}}% % double bond at 1 - \put(-30,12){\line(-1,0){110}}% % double bond at 1 - \else\if\@tmpb B%beta single bond - \yl@xdiff=17\relax - \yl@ydiff=31\relax - \putlatom{-157}{-31}{\@memberb}% % left type only - {% - \thicklines% - \put(-30,0){\line(-1,0){110}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=17\relax - \yl@ydiff=31\relax - \putlatom{-157}{-31}{\@memberb}% % left type only - \@ifundefined{dottedline}{% - \put(-30,0){\line(-1,0){110}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(-30,0)(-140,0)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(0,0){\setatombondG}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(0,0){\setatombondD}% - }% - \else% - \yl@xdiff=17\relax - \yl@ydiff=31\relax - \putlatom{-157}{-31}{\@memberb}% % left type only - \put(-40,0){\line(-1,0){100}}% % single bond at 1 - \fi\fi\fi\fi - \fi\fi% -\else%% no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=17\relax - \yl@ydiff=31\relax - \putlatom{-157}{-31}{\@memberb}% % left type only - \put(0,0){\line(-1,0){140}}% % single bond at 1 - \else\if\@tmpc B%(B) beta - \yl@xdiff=37\relax - \yl@ydiff=30\relax - \putlatom{-157}{42}{\@memberb}% % left type - {% - \thicklines% - \put(0,0){\line(-5,3){120}}% % single bond at 1 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=37\relax - \yl@ydiff=28\relax - \putlatom{-157}{-100}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(0,0){\line(-5,-3){120}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(-120,-72)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=37\relax - \yl@ydiff=28\relax - \putlatom{-157}{-100}{\@memberb}% % left type - {% - \thicklines% - \put(0,0){\line(-5,-3){120}}% % single bond at 1 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=37\relax - \yl@ydiff=30\relax - \putlatom{-157}{42}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(0,0){\line(-5,3){120}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(-120,72)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=37\relax - \yl@ydiff=30\relax - \putlatom{-157}{42}{\@memberb}% % left type - \put(0,0){\line(-5,3){120}}% % single bond at 1 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=37\relax - \yl@ydiff=28\relax - \putlatom{-157}{-100}{\@memberb}% % left type - \put(0,0){\line(-5,-3){120}}% % single bond at 1 - \fi\fi\fi\fi\fi - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=17\relax - \yl@ydiff=31\relax - \putlatom{-157}{-31}{\@memberb}% % left type only - \put(0,-12){\line(-1,0){140}}% % double bond at 1 - \put(0,12){\line(-1,0){140}}% % double bond at 1 - \else\if\@tmpb B%beta single bond - \yl@xdiff=17\relax - \yl@ydiff=31\relax - \putlatom{-157}{-31}{\@memberb}% % left type only - {% - \thicklines% - \put(0,0){\line(-1,0){140}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=17\relax - \yl@ydiff=31\relax - \putlatom{-157}{-31}{\@memberb}% % left type only - \@ifundefined{dottedline}{% - \put(0,0){\line(-1,0){140}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(-140,0)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(0,0){\setatombondG}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(0,0){\setatombondD}% - }% - \else% - \yl@xdiff=17\relax - \yl@ydiff=31\relax - \putlatom{-157}{-31}{\@memberb}% % left type only - \put(0,0){\line(-1,0){140}}% % single bond at 1 - \fi\fi\fi\fi% - \fi\fi - \fi}%end of \@hsubsta -% \end{macrocode} -% \end{macro} -% -% The |\@hsubstb| command is used for placing a substituent (|\@memberb|) at -% the 2-position (upper-left) of a vertical six-membered ring. -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/15}{Added bond modifiers: FA, FB, GA, GB, Su, Sd} -% \begin{macro}{\@hsubstb} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 2 % -% %%%%%%%%%%%%%%% -\def\@hsubstb{% - \if@bclip %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=43\relax - \yl@ydiff=5\relax - \putlratom{-27}{331}{\@memberb}% - \put(79,221){\line(-3,5){63}}% % single bond at 2 (62=>63) - \else\if\@tmpc B%(B) beta - \yl@xdiff=0\relax - \yl@ydiff=21\relax - \putlatom{-41}{240}{\@memberb}% % left type - {% - \thicklines% - \put(59,201){\line(-5,3){100}}% % single bond at 2 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=20\relax - \yl@ydiff=-10\relax - \putratom{83}{331}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(103,221){\line(0,1){100}}% % single bond at 2 - }{{\thicklines% - \dottedline{20}(103,221)(103,321)}}%1998/10/11 by SF - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=20\relax - \yl@ydiff=-10\relax - \putratom{83}{331}{\@memberb}% % right type - {% - \thicklines% - \put(103,221){\line(0,1){100}}% % single bond at 2 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=0\relax - \yl@ydiff=21\relax - \putlatom{-41}{240}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(59,201){\line(-5,3){100}}% % single bond at 2 - }{{\thicklines% - \dottedline{20}(59,201)(-41,261)}}%1998/10/11 by SF - \else\if\@tmpc b%(b) beta - \yl@xdiff=0\relax - \yl@ydiff=21\relax - \putlatom{-41}{240}{\@memberb}% % left type - \put(59,201){\line(-5,3){100}}% % single bond at 2 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=20\relax - \yl@ydiff=-10\relax - \putratom{83}{331}{\@memberb}% % right type - \put(103,221){\line(0,1){100}}% % single bond at 2 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=49\relax - \yl@ydiff=-13\relax - \putlratom{-27}{331}{\@memberb}% - \put(78,208){\line(-3,5){63}}% % double bond at 2(62->63) - \put(100,219){\line(-3,5){63}}% % double bond at 2(62->63) - \else\if\@tmpb B%beta single bond - \yl@xdiff=43\relax - \yl@ydiff=5\relax - \putlratom{-27}{331}{\@memberb}% - {% - \thicklines% - \put(79,221){\line(-3,5){63}}% % single bond at 2 (62->63) - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=43\relax - \yl@ydiff=5\relax - \putlratom{-27}{331}{\@memberb}% - \@ifundefined{dottedline}{% - \put(79,221){\line(-3,5){63}}% % single bond at 2(62->63) - }{{\thicklines% - \dottedline{20}(79,221)(16,326)}}%1998/10/11 by SF - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(103,171){\setatombondh}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(103,171){\setatombondF}% - }% - \else% - \yl@xdiff=43\relax - \yl@ydiff=5\relax - \putlratom{-27}{331}{\@memberb}% - \put(79,221){\line(-3,5){63}}% % single bond at 2 (62->63) - \fi\fi\fi\fi% - \fi\fi - \else%%no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=58\relax - \yl@ydiff=-41\relax - \putlratom{-27}{331}{\@memberb}% - \put(103,171){\line(-3,5){72}}% % single bond at 2 - \else\if\@tmpc B%(B) beta - \yl@xdiff=14\relax - \yl@ydiff=-3\relax - \putlatom{-31}{240}{\@memberb}% % left type - {% - \thicklines% - \put(103,171){\line(-5,3){120}}% % single bond at 2 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=20\relax - \yl@ydiff=-20\relax - \putratom{83}{331}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(103,171){\line(0,1){140}}% % single bond at 2 - }{{\thicklines% - \dottedline{20}(103,171)(103,311)}}%1998/10/11 by SF - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=20\relax - \yl@ydiff=-20\relax - \putratom{83}{331}{\@memberb}% % right type - {% - \thicklines% - \put(103,171){\line(0,1){140}}% % single bond at 2 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=14\relax - \yl@ydiff=-3\relax - \putlatom{-31}{240}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(103,171){\line(-5,3){120}}% % single bond at 2 - }{{\thicklines% - \dottedline{20}(103,171)(-7,243)}}%1998/10/11 by SF - \else\if\@tmpc b%(b) beta - \yl@xdiff=14\relax - \yl@ydiff=-3\relax - \putlatom{-31}{240}{\@memberb}% % left type - \put(103,171){\line(-5,3){120}}% % single bond at 2 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=20\relax - \yl@ydiff=-20\relax - \putratom{83}{331}{\@memberb}% % right type - \put(103,171){\line(0,1){140}}% % single bond at 2 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=64\relax - \yl@ydiff=-41\relax - \putlratom{-27}{331}{\@memberb}% - \put(96,168){\line(-3,5){72}}% % double bond at 2 - \put(121,174){\line(-3,5){72}}% % double bond at 2 - \else\if\@tmpb B%beta single bond - \yl@xdiff=58\relax - \yl@ydiff=-41\relax - \putlratom{-27}{331}{\@memberb}% - {% - \thicklines% - \put(103,171){\line(-3,5){72}}% % single bond at 2 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=58\relax - \yl@ydiff=-41\relax - \putlratom{-27}{331}{\@memberb}% - \@ifundefined{dottedline}{% - \put(103,171){\line(-3,5){72}}% % single bond at 2 - }{{\thicklines% - \dottedline{20}(103,171)(31,291)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(103,171){\setatombondh}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(103,171){\setatombondF}% - }% - \else% - \yl@xdiff=58\relax - \yl@ydiff=-41\relax - \putlratom{-27}{331}{\@memberb}% - \put(103,171){\line(-3,5){72}}% % single bond at 2 - \fi\fi\fi\fi% - \fi\fi - \fi}% end of \@hsubstb -% \end{macrocode} -% \end{macro} -% -% The |\@hsubstc| command is used for placing a substituent (|\@memberb|) at -% the 3-position (upper-right) of a vertical six-membered ring. -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/15}{Added bond modifiers: FA, FB, GA, GB, Su, Sd} -% \begin{macro}{\@hsubstc} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 3 % -% %%%%%%%%%%%%%%% -\def\@hsubstc{% - \if@cclip %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=43\relax - \yl@ydiff=5\relax - \putratom{363}{331}{\@memberb}% - \put(343,221){\line(3,5){63}}% % single bond at 3 (62->63) - \else\if\@tmpc B%(B) beta - \yl@xdiff=0\relax - \yl@ydiff=21\relax - \putratom{443}{240}{\@memberb}% % right type - {% - \thicklines% - \put(343,201){\line(5,3){100}}% % single bond at 3 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=20\relax - \yl@ydiff=0\relax - \putratom{283}{331}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(303,221){\line(0,1){110}}% % single bond at 3 - }{{\thicklines% - \dottedline{20}(303,221)(303,331)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=20\relax - \yl@ydiff=0\relax - \putratom{283}{331}{\@memberb}% % right type - {% - \thicklines% - \put(303,221){\line(0,1){110}}% % single bond at 3 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=0\relax - \yl@ydiff=21\relax - \putratom{443}{240}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(343,201){\line(5,3){100}}% % single bond at 3 - }{{\thicklines% - \dottedline{20}(343,201)(443,261)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=0\relax - \yl@ydiff=21\relax - \putratom{443}{240}{\@memberb}% % right type - \put(343,201){\line(5,3){100}}% % single bond at 3 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=20\relax - \yl@ydiff=0\relax - \putratom{283}{331}{\@memberb}% % right type - \put(303,221){\line(0,1){110}}% % single bond at 3 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=22\relax - \yl@ydiff=-18\relax - \putratom{363}{331}{\@memberb}% - \put(328,208){\line(3,5){63}}% % double bond at 3 - \put(303,214){\line(3,5){63}}% % double bond at 3 - \else\if\@tmpb B%beta single bond - \yl@xdiff=43\relax - \yl@ydiff=5\relax - \putratom{363}{331}{\@memberb}% - {% - \thicklines% - \put(343,221){\line(3,5){63}}% % single bond at 3 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=43\relax - \yl@ydiff=5\relax - \putratom{363}{331}{\@memberb}% - \@ifundefined{dottedline}{% - \put(343,221){\line(3,5){63}}% % single bond at 3 (62->63) - }{{\thicklines% - \dottedline{20}(343,221)(406,326)}}% 1998/10/11 by SF - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(303,171){\setatombondD}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(303,171){\setatombondb}% - }% - \else% - \yl@xdiff=43\relax - \yl@ydiff=5\relax - \putratom{363}{331}{\@memberb}% - \put(343,221){\line(3,5){63}}% % single bond at 3 (62->63) - \fi\fi\fi\fi% - \fi\fi - \else%no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=12\relax - \yl@ydiff=-40\relax - \putratom{363}{331}{\@memberb}% - \put(303,171){\line(3,5){72}}% % single bond at 3 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-20\relax - \yl@ydiff=3\relax - \putratom{443}{240}{\@memberb}% % right type - {% - \thicklines% - \put(303,171){\line(5,3){120}}% % single bond at 3 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=20\relax - \yl@ydiff=-20\relax - \putratom{283}{331}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(303,171){\line(0,1){140}}% % single bond at 3 - }{{\thicklines% - \dottedline{20}(303,171)(303,311)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=20\relax - \yl@ydiff=-20\relax - \putratom{283}{331}{\@memberb}% % right type - {% - \thicklines% - \put(303,171){\line(0,1){140}}% % single bond at 3 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=-20\relax - \yl@ydiff=3\relax - \putratom{443}{240}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(303,171){\line(5,3){120}}% % single bond at 3 - }{{\thicklines% - \dottedline{20}(303,171)(423,243)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-20\relax - \yl@ydiff=3\relax - \putratom{443}{240}{\@memberb}% % right type - \put(303,171){\line(5,3){120}}% % single bond at 3 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=20\relax - \yl@ydiff=-20\relax - \putratom{283}{331}{\@memberb}% % right type - \put(303,171){\line(0,1){140}}% % single bond at 3 - \fi\fi\fi\fi\fi% - \fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=6\relax - \yl@ydiff=-40\relax - \putratom{363}{331}{\@memberb}% - \put(310,168){\line(3,5){72}}% % double bond at 3 - \put(284,174){\line(3,5){72}}% % double bond at 3 - \else\if\@tmpb B%beta single bond - \yl@xdiff=12\relax - \yl@ydiff=-40\relax - \putratom{363}{331}{\@memberb}% - {% - \thicklines% - \put(303,171){\line(3,5){72}}% % single bond at 3 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=12\relax - \yl@ydiff=-40\relax - \putratom{363}{331}{\@memberb}% - \@ifundefined{dottedline}{% - \put(303,171){\line(3,5){72}}% % single bond at 3 - }{{\thicklines% - \dottedline{20}(303,171)(375,291)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(303,171){\setatombondD}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(303,171){\setatombondb}% - }% - \else% - \yl@xdiff=12\relax - \yl@ydiff=-40\relax - \putratom{363}{331}{\@memberb}% - \put(303,171){\line(3,5){72}}% % single bond at 3 - \fi\fi\fi\fi% - \fi\fi - \fi}% end of \@hsubstc -% \end{macrocode} -% \end{macro} -% -% The |\@hsubstd| command is used for placing a substituent (|\@memberb|) at -% the 4-position (right-hand) of a vertical six-membered ring. -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/15}{Added bond modifiers: FA, FB, GA, GB, Su, Sd} -% \begin{macro}{\@substd} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 4 % -% %%%%%%%%%%%%%%% -\def\@hsubstd{% -\if@clip %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \putratom{563}{-31}{\@memberb}% % right type only - \put(436,0){\line(1,0){110}}% % single bond at 4 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-27\relax - \yl@ydiff=36\relax - \putratom{563}{42}{\@memberb}% % right type only - {% - \thicklines% - \put(436,18){\line(5,3){100}}% % single bond at 4 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=-27\relax - \yl@ydiff=22\relax - \putratom{563}{-100}{\@memberb}% % right type only - \@ifundefined{dottedline}{% - \put(436,-18){\line(5,-3){100}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(436,-18)(526,-72)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=-27\relax - \yl@ydiff=22\relax - \putratom{563}{-100}{\@memberb}% % right type only - {% - \thicklines% - \put(436,-18){\line(5,-3){100}}% % single bond at 4 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=-27\relax - \yl@ydiff=36\relax - \putratom{563}{42}{\@memberb}% % right type only - \@ifundefined{dottedline}{% - \put(436,18){\line(5,3){100}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(436,18)(536,78)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-27\relax - \yl@ydiff=36\relax - \putratom{563}{42}{\@memberb}% % right type only - \put(436,18){\line(5,3){100}}% % single bond at 4 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=-27\relax - \yl@ydiff=22\relax - \putratom{563}{-100}{\@memberb}% % right type only - \put(436,-18){\line(5,-3){100}}% % single bond at 4 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \putratom{563}{-31}{\@memberb}% % right type only - \put(436,-12){\line(1,0){110}}% % double bond at 4 - \put(436,12){\line(1,0){110}}% % double bond at 4 - \else\if\@tmpb B%beta single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \putratom{563}{-31}{\@memberb}% % right type only - {% - \thicklines% - \put(436,0){\line(1,0){110}}% % single bond at 4 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \putratom{563}{-31}{\@memberb}% % right type only - \@ifundefined{dottedline}{% - \put(436,0){\line(1,0){110}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(436,0)(546,0)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(406,0){\setatombondF}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(406,0){\setatombondE}% - }% - \else% - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \putratom{563}{-31}{\@memberb}% % right type only - \put(436,0){\line(1,0){110}}% % single bond at 4 - \fi\fi\fi\fi% - \fi\fi -\else%% no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \putratom{563}{-31}{\@memberb}% % right type only - \put(406,0){\line(1,0){140}}% % single bond at 4 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-37\relax - \yl@ydiff=30\relax - \putratom{563}{42}{\@memberb}% % right type only - {% - \thicklines% - \put(406,0){\line(5,3){120}}% % single bond at 4 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=-37\relax - \yl@ydiff=28\relax - \putratom{563}{-100}{\@memberb}% % right type only - \@ifundefined{dottedline}{% - \put(406,0){\line(5,-3){120}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(406,0)(526,-72)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=-37\relax - \yl@ydiff=28\relax - \putratom{563}{-100}{\@memberb}% % right type only - {% - \thicklines% - \put(406,0){\line(5,-3){120}}% % single bond at 4 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=-37\relax - \yl@ydiff=30\relax - \putratom{563}{42}{\@memberb}% % right type only - \@ifundefined{dottedline}{% - \put(406,0){\line(5,3){120}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(406,0)(526,72)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-37\relax - \yl@ydiff=30\relax - \putratom{563}{42}{\@memberb}% % right type only - \put(406,0){\line(5,3){120}}% % single bond at 4 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=-37\relax - \yl@ydiff=28\relax - \putratom{563}{-100}{\@memberb}% % right type only - \put(406,0){\line(5,-3){120}}% % single bond at 4 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \putratom{563}{-31}{\@memberb}% % right type only - \put(406,-12){\line(1,0){140}}% % double bond at 4 - \put(406,12){\line(1,0){140}}% % double bond at 4 - \else\if\@tmpb B%beta single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \putratom{563}{-31}{\@memberb}% % right type only - {% - \thicklines% - \put(406,0){\line(1,0){140}}% % single bond at 4 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \putratom{563}{-31}{\@memberb}% % right type only - \@ifundefined{dottedline}{% - \put(406,0){\line(1,0){140}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(406,0)(546,0)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(406,0){\setatombondF}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(406,0){\setatombondE}% - }% - \else% - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \putratom{563}{-31}{\@memberb}% % right type only - \put(406,0){\line(1,0){140}}% % single bond at 4 - \fi\fi\fi\fi% - \fi\fi - \fi}% end of \@hsubstd -% \end{macrocode} -% \end{macro} -% -% The |\@hsubste| command is used for placing a substituent (|\@memberb|) at -% the 5-position (lower-right) of a vertical six-membered ring. -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/15}{Added bond modifiers: FA, FB, GA, GB, Su, Sd} -% \begin{macro}{\@hsubste} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 5 % -% %%%%%%%%%%%%%%% -\def\@hsubste{% - \if@eclip %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=43\relax - \yl@ydiff=76\relax - \putratom{363}{-402}{\@memberb}% - \put(343,-221){\line(3,-5){63}}%% single bond at 5 (62=>63) - \else\if\@tmpc B%(B) beta - \yl@xdiff=0\relax - \yl@ydiff=41\relax - \putratom{443}{-301}{\@memberb}% % right type - {% - \thicklines% - \put(343,-201){\line(5,-3){100}}% % single bond at 5 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=20\relax - \yl@ydiff=71\relax - \putratom{283}{-402}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(303,-221){\line(0,-1){110}}% % single bond at 5 - }{{\thicklines% - \dottedline{20}(303,-221)(303,-321)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=20\relax - \yl@ydiff=71\relax - \putratom{283}{-402}{\@memberb}% % right type - {% - \thicklines% - \put(303,-221){\line(0,-1){110}}% % single bond at 5 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=0\relax - \yl@ydiff=41\relax - \putratom{443}{-301}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(343,-201){\line(5,-3){100}}% % single bond at 5 - }{{\thicklines% - \dottedline{20}(343,-201)(443,-260)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=0\relax - \yl@ydiff=41\relax - \putratom{443}{-301}{\@memberb}% % right type - \put(343,-201){\line(5,-3){100}}% % single bond at 5 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=20\relax - \yl@ydiff=71\relax - \putratom{283}{-402}{\@memberb}% % right type - \put(303,-221){\line(0,-1){110}}% % single bond at 5 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=22\relax - \yl@ydiff=82\relax - \putratom{363}{-402}{\@memberb} - \put(328,-208){\line(3,-5){63}}% % double bond at 5 (62->63) - \put(306,-224){\line(3,-5){63}}% % double bond at 5 (62->63) - \else\if\@tmpb B%beta single bond - \yl@xdiff=43\relax - \yl@ydiff=76\relax - \putratom{363}{-402}{\@memberb}% - {% - \thicklines% - \put(343,-221){\line(3,-5){63}}%% single bond at 5(62->63) - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=43\relax - \yl@ydiff=76\relax - \putratom{363}{-402}{\@memberb}% - \@ifundefined{dottedline}{% - \put(343,-221){\line(3,-5){63}}% % single bond at 5 (62->63) - }{{\thicklines% - \dottedline{20}(343,-221)(406,-326)}}%1998/10/11 by SF - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(303,-171){\setatombondb}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(303,-171){\setatombondG}% - }% - \else% - \yl@xdiff=43\relax - \yl@ydiff=76\relax - \putratom{363}{-402}{\@memberb}% - \put(343,-221){\line(3,-5){63}}% % single bond at 5(62->63) - \fi\fi\fi\fi% - \fi\fi - \else%no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=9\relax - \yl@ydiff=111\relax - \putratom{363}{-402}{\@memberb}% - \put(303,-171){\line(3,-5){72}}% % single bond at 5 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-20\relax - \yl@ydiff=58\relax - \putratom{443}{-301}{\@memberb}% % right type - {% - \thicklines% - \put(303,-171){\line(5,-3){120}}% % single bond at 5 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=20\relax - \yl@ydiff=81\relax - \putratom{283}{-402}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(303,-171){\line(0,-1){140}}% % single bond at 5 - }{{\thicklines% - \dottedline{20}(303,-171)(303,-321)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=20\relax - \yl@ydiff=81\relax - \putratom{283}{-402}{\@memberb}% % right type - {% - \thicklines% - \put(303,-171){\line(0,-1){140}}% % single bond at 5 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=-20\relax - \yl@ydiff=58\relax - \putratom{443}{-301}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(303,-171){\line(5,-3){120}}% % single bond at 5 - }{{\thicklines% - \dottedline{20}(303,-171)(423,-243)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-20\relax - \yl@ydiff=58\relax - \putratom{443}{-301}{\@memberb}% % right type - \put(303,-171){\line(5,-3){120}}% % single bond at 5 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=20\relax - \yl@ydiff=81\relax - \putratom{283}{-402}{\@memberb}% % right type - \put(303,-171){\line(0,-1){140}}% % single bond at 5 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=3\relax - \yl@ydiff=111\relax - \putratom{363}{-402}{\@memberb}% - \put(310,-168){\line(3,-5){72}}% % double bond at 5 - \put(284,-174){\line(3,-5){72}}% % double bond at 5 - \else\if\@tmpb B%beta single bond - \yl@xdiff=9\relax - \yl@ydiff=111\relax - \putratom{363}{-402}{\@memberb}% - {% - \thicklines% - \put(303,-171){\line(3,-5){72}}% % single bond at 5 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=9\relax - \yl@ydiff=111\relax - \putratom{363}{-402}{\@memberb}% - \@ifundefined{dottedline}{% - \put(303,-171){\line(3,-5){72}}% % single bond at 5 - }{{\thicklines% - \dottedline{20}(303,-171)(375,-291)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(303,-171){\setatombondb}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(303,-171){\setatombondG}% - }% - \else% - \yl@xdiff=9\relax - \yl@ydiff=111\relax - \putratom{363}{-402}{\@memberb}% - \put(303,-171){\line(3,-5){72}}% % single bond at 5 - \fi\fi\fi\fi% - \fi\fi - \fi}% end of \@hsubste -% \end{macrocode} -% \end{macro} -% -% The |\@hsubstf| command is used for placing a substituent (|\@memberb|) at -% the 6-position (lower-left) of a vertical six-membered ring. -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/15}{Added bond modifiers: FA, FB, GA, GB, Su, Sd} -% \begin{macro}{\@hsubstf} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 6 % -% %%%%%%%%%%%%%%% -\def\@hsubstf{% - \if@fclip %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=43\relax - \yl@ydiff=76\relax - \putlratom{-27}{-402}{\@memberb}% - \put(79,-221){\line(-3,-5){63}}% % single bond at 6 (62=>63) - \else\if\@tmpc B%(B) beta - \yl@xdiff=-10\relax - \yl@ydiff=40\relax - \putlatom{-31}{-301}{\@memberb}% % right type - {% - \thicklines% - \put(59,-201){\line(-5,-3){100}}% % single bond at 6 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=20\relax - \yl@ydiff=81\relax - \putratom{83}{-402}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(103,-221){\line(0,-1){100}}% % single bond at 6 - }{{\thicklines% - \dottedline{20}(103,-221)(103,-321)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=20\relax - \yl@ydiff=81\relax - \putratom{83}{-402}{\@memberb}% % right type - {% - \thicklines% - \put(103,-221){\line(0,-1){100}}% % single bond at 6 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=-10\relax - \yl@ydiff=40\relax - \putlatom{-31}{-301}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(59,-201){\line(-5,-3){100}}% % single bond at 6 - }{{\thicklines% - \dottedline{20}(59,-201)(-41,-261)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-10\relax - \yl@ydiff=40\relax - \putlatom{-31}{-301}{\@memberb}% % right type - \put(59,-201){\line(-5,-3){100}}% % single bond at 6 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=20\relax - \yl@ydiff=81\relax - \putratom{83}{-402}{\@memberb}% % right type - \put(103,-221){\line(0,-1){100}}% % single bond at 6 - \fi\fi\fi\fi\fi - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=49\relax - \yl@ydiff=82\relax - \putlratom{-27}{-402}{\@memberb}% - \put(78,-208){\line(-3,-5){63}}% % double bond at 6 (62->63) - \put(106,-219){\line(-3,-5){63}}% % double bond at 6 (62->63) - \else\if\@tmpb B%beta single bond - \yl@xdiff=43\relax - \yl@ydiff=76\relax - \putlratom{-27}{-402}{\@memberb}% - {% - \thicklines% - \put(79,-221){\line(-3,-5){63}}% % single bond at 6 (62=>63) - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=43\relax - \yl@ydiff=76\relax - \putlratom{-27}{-402}{\@memberb}% - \@ifundefined{dottedline}{% - \put(79,-221){\line(-3,-5){63}}% single bond at 6 (62=>63) - }{{\thicklines% - \dottedline{20}(79,-221)(16,-326)}}%1998/10/11 by SF - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(103,-171){\setatombondE}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(103,-171){\setatombondh}% - }% - \else% - \yl@xdiff=43\relax - \yl@ydiff=76\relax - \putlratom{-27}{-402}{\@memberb}% - \put(79,-221){\line(-3,-5){63}}% % single bond at 6(62->63) - \fi\fi\fi\fi% - \fi\fi - \else%%no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=59\relax - \yl@ydiff=111\relax - \putlratom{-27}{-402}{\@memberb}% - \put(108,-171){\line(-3,-5){72}}% % single bond at 6 -% \else\if\@tmpb B%beta single bond - \else\if\@tmpc B%beta single bond%1998/10/11 by S. Fujita - \yl@xdiff=8\relax - \yl@ydiff=58\relax - \putlatom{-31}{-301}{\@memberb}% % right type - {% - \thicklines% - \put(103,-171){\line(-5,-3){120}}% % single bond at 6 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=20\relax - \yl@ydiff=91\relax - \putratom{83}{-402}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(103,-171){\line(0,-1){140}}% % single bond at 6 - }{{\thicklines% - \dottedline{20}(103,-171)(103,-311)}}%1998/10/17 by SF - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=20\relax - \yl@ydiff=91\relax - \putratom{83}{-402}{\@memberb}% % right type - {% - \thicklines% - \put(103,-171){\line(0,-1){140}}% % single bond at 6 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=8\relax - \yl@ydiff=58\relax - \putlatom{-31}{-301}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(103,-171){\line(-5,-3){120}}% % single bond at 6 - }{{\thicklines% - \dottedline{20}(103,-171)(-17,-243)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=8\relax - \yl@ydiff=58\relax - \putlatom{-31}{-301}{\@memberb}% % right type - \put(103,-171){\line(-5,-3){120}}% % single bond at 6 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=20\relax - \yl@ydiff=91\relax - \putratom{83}{-402}{\@memberb}% % right type - \put(103,-171){\line(0,-1){140}}% % single bond at 6 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=65\relax - \yl@ydiff=111\relax - \putlratom{-27}{-402}{\@memberb}% - \put(96,-168){\line(-3,-5){72}}% % double bond at 6 - \put(121,-174){\line(-3,-5){72}}% % double bond at 6 - \else\if\@tmpb B%beta single bond - \yl@xdiff=59\relax - \yl@ydiff=111\relax - \putlratom{-27}{-402}{\@memberb}% - \put(108,-171){\line(-3,-5){72}}% % single bond at 6 - {% - \thicklines% - \put(108,-171){\line(-3,-5){72}}% % single bond at 6 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=59\relax - \yl@ydiff=111\relax - \putlratom{-27}{-402}{\@memberb}% - \@ifundefined{dottedline}{% - \put(108,-171){\line(-3,-5){72}}% % single bond at 6 - }{{\thicklines% - \dottedline{20}(103,-171)(31,-291)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(103,-171){\setatombondE}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(103,-171){\setatombondh}% - }% - \else% - \yl@xdiff=59\relax - \yl@ydiff=111\relax - \putlratom{-27}{-402}{\@memberb}% - \put(108,-171){\line(-3,-5){72}}% % single bond at 6 - \fi\fi\fi\fi% - \fi\fi - \fi}% end of \@hsubstf -% \end{macrocode} -% \end{macro} -% -% \subsection{Setting-up substituents and bonds on a six-membered ring} -% -% The |\setsixringh| macro takes 5 arguments, which have the same meanings -% as described in the definition of the |\setsixringv| macro. -% -% \begin{verbatim} -% **************************************************************** -% * setting of atoms and bonds on a horizontal six-membered ring * -% **************************************************************** -% -% \setsixringh{SUBSLIST}{AD}{LOWER}{UPPER}{ORDER} -% -% \end{verbatim} -% -% The first argument |SUBSLIST| is a list of substituents, which is -% represented in the standard format of \XyMTeX{}. -% -% \begin{verbatim} -% SUBSLIST: list of substituents (max 6 substitution positions) -% -% for n = 1 to 6 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% \end{verbatim} -% -% The second argument |AD| is an adjustment value, which adjusts the original -% set of locant numbers into the standard one between 1 to 6 for drawing -% a six-membered ring. -% The effective range of the standared set of locant numbers is -% restricted by the auguments |LOWER| and |UPPER|. A minus value of -% the last argument shows the anti-clockwise numbering, while zero or -% a plus value represents the clockwise numbering. -% -% \begin{verbatim} -% AD : adjustment e.g. 0 for six-membered rings -% LOWER : lower limit LOWER < effective range < UPPER -% UPPER : upper limit -% ORDER : >= 0 clockwise, <0 anti-clockwise -% -% \end{verbatim} -% -% \changes{v1.02}{1998/10/11}{Adding switches \cs{@yla} etc.} -% \changes{v1.02}{1998/10/31}{Deleting switches \cs{@yla} etc.} -% -% \begin{macro}{\setsixringh} -% \begin{macrocode} -\def\setsixringh#1#2#3#4#5{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifnum#5 < 0\relax% -\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax% -\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax \fi -\ifnum\@tmpaa >#3\relax% -\ifnum\@tmpaa <#4\relax% -\ifcase\@tmpaa%0 omit -% \end{macrocode} -% -% The following commands are not used in a revised version -% because of the direct use of |\ifx\@memberb\@yl\else...\fi|. -% -% \begin{macrocode} -% %\or \if@yla\else\@hsubsta\fi% subst. on 1 -% %\or \if@ylb\else\@hsubstb\fi% subst. on 2 -% %\or \if@ylc\else\@hsubstc\fi% subst. on 3 -% %\or \if@yld\else\@hsubstd\fi% subst. on 4 -% %\or \if@yle\else\@hsubste\fi% subst. on 5 -% %\or \if@ylf\else\@hsubstf\fi% subst. on 6 -% \end{macrocode} -% -% \begin{macrocode} - \or\@hsubsta% subst. on 1 - \or\@hsubstb% subst. on 2 - \or\@hsubstc% subst. on 3 - \or\@hsubstd% subst. on 4 - \or\@hsubste% subst. on 5 - \or\@hsubstf% subst. on 6 -\fi%end of ifcase -\fi\fi\fi\fi}}% %end of setsixringh -% \end{macrocode} -% \end{macro} -% -% \section{Mocros linking Substituents} -% \subsection{Right-handed linking unit} -% -% A structure-drawing command can be used to typeset a substituent -% by using a (yl)-argument. Moreover, the macro |\ryl| permits us -% to draw an intermediate linking unit. -% \changes{v1.02}{1998/10/25}{New command: \cs{ryl} etc.} -% -% \begin{macro}{\ryl} -% \begin{macro}{\@ryl} -% \begin{macrocode} -\newcount\x@ryl -\newcount\y@ryl -\def\ryl{\@ifnextchar({\@ryl}{\@ryl()}} -\def\@ryl(#1)#2{% -\iniatom\iniflag%initialize -\@reset@ylsw% -\def\centeraaa{}% -\x@ryl=0\y@ryl=0 -\@forsemicol\member:=#1\do{% -\if@ylsw% -\XyMTeXWarning{Duplicated items in the first augument of \string\ryl}% -\else% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\settowidth{\dimen0}{\@memberb}% -\x@ryl=\dimen0%%%dimension => counter -\divide\x@ryl\unitlength -\advance\x@ryl by-70 -\y@ryl=0 -\ifcase\@tmpa% -\def\centeraaa{\@memberb}\@ylswtrue -\advance\y@ryl by50 -\or%1 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by30 -\advance\y@ryl by50 -\or%2 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by40 -\advance\y@ryl by40 -\or%3 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by50 -\advance\y@ryl by30 -\or%4 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by50 -\advance\y@ryl by0 -\or%5 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by50 -\advance\y@ryl by-30 -\or%6 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by50 -\advance\y@ryl by-50 -\or%7 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by30 -\advance\y@ryl by-50 -\or%8 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\y@ryl by-50 -\fi -\fi\fi}% - \yl@shiftii=\x@ryl - \yl@shifti=-\y@ryl - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\ifx\centeraaa\empty\else% - \@clipfusetrue - \putlatom{40}{-30}{\centeraaa}% % left type -\fi% -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifcase\@tmpa% -\setatombonda% 0 (upward) (0,1) -\or\setatombondF%1 (3,5) -\or\setatombondA%2 (1,1) -\or\setatombondf%3 (5,3) -\or\setatombondb%4 (1,0) -\or\setatombonde%5 (5,-3) -\or\setatombondB%6 (1,-1) -\or\setatombondE%7 (3,-5) -\or\setatombondc%8 (0,-1) -\fi%end of ifcase -\fi -}\end{picture}}% %end of \ryl macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The substituent-setting commands |\setatombondF| etc. are used -% in the macro |\ryl|. -% -% \begin{macro}{\setatombondF} -% \changes{v1.02}{1998/10/25}{New command: \cs{setatombondF}} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -\def\setatombondF{%% (3,5) - \if@clipfuse% - \if\@tmpb B%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - {% - \thicklines% - \put(30,50){\line(3,5){60}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - \@ifundefined{dottedline}{% - \put(30,50){\line(3,5){60}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(30,50)(90,150)}}% - \else\if\@tmpb U%unspecified single bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - \put(30,50){\line(3,5){60}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - \put(30,50){\line(3,5){60}}% % single bond at 1 - \else\if\@tmpb D%double bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - \put(40,44){\line(3,5){60}}% % single bond at 1 - \put(20,56){\line(3,5){60}}% % single bond at 1 - \else\if\@tmpb T%triple bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - \put(45,41){\line(3,5){60}}% % single bond at 1 - \put(30,50){\line(3,5){60}}% % single bond at 1 - \put(15,59){\line(3,5){60}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - \put(30,50){\line(3,5){60}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{80}{160}{\@memberb}% % right type - \else%no clipping - \if\@tmpb B%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - {% - \thicklines% - \put(0,0){\line(3,5){90}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - \@ifundefined{dottedline}{% - \put(0,0){\line(3,5){90}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(90,150)}}% - \else\if\@tmpb U%unspecified single bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - \put(0,0){\line(3,5){90}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - \put(0,0){\line(3,5){90}}% % single bond at 1 - \else\if\@tmpb D%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - \put(10,-6){\line(3,5){90}}% % single bond at 1 - \put(-10,6){\line(3,5){90}}% % single bond at 1 - \else\if\@tmpb T%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - \put(15,-9){\line(3,5){90}}% % single bond at 1 - \put(0,0){\line(3,5){90}}% % single bond at 1 - \put(-15,9){\line(3,5){90}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - \put(0,0){\line(3,5){90}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{80}{160}{\@memberb}% % right type - \fi% -}% end of \setatombondF -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\setatombondE} -% \changes{v1.02}{1998/10/25}{New command: \cs{setatombondE}} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -\def\setatombondE{%% (3,-5) - \if@clipfuse% - \yl@xdiff=10\relax - \yl@ydiff=70\relax - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(30,-50){\line(3,-5){60}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(30,-50){\line(3,-5){60}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(30,-50)(90,-150)}}% - \else\if\@tmpb U%unspecified single bond - \put(30,-50){\line(3,-5){60}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(30,-50){\line(3,-5){60}}% % single bond at 1 - \else\if\@tmpb D%double bond - \put(40,-44){\line(3,-5){60}}% % single bond at 1 - \put(20,-56){\line(3,-5){60}}% % single bond at 1 - \else\if\@tmpb T%triple bond - \put(45,-41){\line(3,-5){60}}% % single bond at 1 - \put(30,-50){\line(3,-5){60}}% % single bond at 1 - \put(15,-59){\line(3,-5){60}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(30,-50){\line(3,-5){60}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{80}{-220}{\@memberb}% % right type - \else%no clipping - \yl@xdiff=10\relax - \yl@ydiff=70\relax - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(0,0){\line(3,-5){90}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(0,0){\line(3,-5){90}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(90,-150)}}% - \else\if\@tmpb U%unspecified single bond - \put(0,0){\line(3,-5){90}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(0,0){\line(3,-5){90}}% % single bond at 1 - \else\if\@tmpb D%beta single bond - \put(10,6){\line(3,-5){90}}% % single bond at 1 - \put(-10,-6){\line(3,-5){90}}% % single bond at 1 - \else\if\@tmpb T%beta single bond - \put(15,9){\line(3,-5){90}}% % single bond at 1 - \put(0,0){\line(3,-5){90}}% % single bond at 1 - \put(-15,-9){\line(3,-5){90}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(0,0){\line(3,-5){90}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{80}{-220}{\@memberb}% % right type - \fi% -}% end of \setatombondE -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\setatombondA} -% \changes{v1.02}{1998/10/25}{New command: \cs{setatombondA}} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -\def\setatombondA{%% (1,1) - \yl@xdiff=0\relax - \yl@ydiff=0\relax - \if@clipfuse% - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(40,40){\line(1,1){100}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(40,40){\line(1,1){100}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(40,40)(140,140)}}% - \else\if\@tmpb U%unspecified single bond - \put(40,40){\line(1,1){100}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(40,40){\line(1,1){100}}% % single bond at 1 - \else\if\@tmpb D%double bond - \put(46,36){\line(1,1){100}}% % single bond at 1 - \put(36,46){\line(1,1){100}}% % single bond at 1 - \else\if\@tmpb T%triple bond - \put(50,30){\line(1,1){100}}% % single bond at 1 - \put(40,40){\line(1,1){100}}% % single bond at 1 - \put(30,50){\line(1,1){100}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(40,40){\line(1,1){100}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{140}{140}{\@memberb}% % right type - \else%no clipping - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(0,0){\line(1,1){120}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(0,0){\line(1,1){120}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(120,120)}}% - \else\if\@tmpb U%unspecified single bond - \put(0,0){\line(1,1){120}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(0,0){\line(1,1){120}}% % single bond at 1 - \else\if\@tmpb D%beta single bond - \put(6,-6){\line(1,1){120}}% % single bond at 1 - \put(-6,6){\line(1,1){120}}% % single bond at 1 - \else\if\@tmpb T%beta single bond - \put(10,-10){\line(1,1){120}}% % single bond at 1 - \put(0,0){\line(1,1){120}}% % single bond at 1 - \put(-10,10){\line(1,1){120}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(0,0){\line(1,1){120}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{120}{120}{\@memberb}% % right type - \fi% -}% end of \setatombondA -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\setatombondB} -% \changes{v1.02}{1998/10/25}{New command: \cs{setatombondB}} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -\def\setatombondB{%% (1,-1) - \if@clipfuse% - \yl@xdiff=0\relax - \yl@ydiff=60\relax - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(40,-40){\line(1,-1){100}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(40,-40){\line(1,-1){100}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(40,-40)(140,-140)}}% - \else\if\@tmpb U%unspecified single bond - \put(40,-40){\line(1,-1){100}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(40,-40){\line(1,-1){100}}% % single bond at 1 - \else\if\@tmpb D%double bond - \put(46,-36){\line(1,-1){100}}% % single bond at 1 - \put(36,-46){\line(1,-1){100}}% % single bond at 1 - \else\if\@tmpb T%triple bond - \put(50,-30){\line(1,-1){100}}% % single bond at 1 - \put(40,-40){\line(1,-1){100}}% % single bond at 1 - \put(30,-50){\line(1,-1){100}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(40,-40){\line(1,-1){100}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{140}{-200}{\@memberb}% % right type - \else%no clipping - \yl@xdiff=0\relax - \yl@ydiff=60\relax - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(0,0){\line(1,-1){120}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(0,0){\line(1,-1){120}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(120,-120)}}% - \else\if\@tmpb U%unspecified single bond - \put(0,0){\line(1,-1){120}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(0,0){\line(1,-1){120}}% % single bond at 1 - \else\if\@tmpb D%beta single bond - \put(6,6){\line(1,-1){120}}% % single bond at 1 - \put(-6,-6){\line(1,-1){120}}% % single bond at 1 - \else\if\@tmpb T%beta single bond - \put(10,10){\line(1,-1){120}}% % single bond at 1 - \put(0,0){\line(1,-1){120}}% % single bond at 1 - \put(-10,-10){\line(1,-1){120}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(0,0){\line(1,-1){120}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{120}{-180}{\@memberb}% % right type - \fi% -}% end of \setatombondB -% \end{macrocode} -% \end{macro} -% -% \subsection{Left-handed linking unit} -% -% A structure-drawing command can be used to typeset a substituent -% by using a (yl)-argument. Moreover, the macro |\lyl| permits us -% to draw an intermediate linking unit. -% \changes{v1.02}{1998/10/25}{New command: \cs{lyl} etc.} -% \begin{macro}{\lyl} -% \begin{macrocode} -\def\lyl{\@ifnextchar({\@lyl}{\@lyl()}} -\def\@lyl(#1)#2{% -\iniatom\iniflag%initialize -\@reset@ylsw% -\def\centeraaa{}% -\x@ryl=0\y@ryl=0 -\@forsemicol\member:=#1\do{% -\if@ylsw% -\XyMTeXWarning{Duplicated items in the first augument of \string\ryl}% -\else% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\settowidth{\dimen0}{\@memberb}% -\x@ryl=\dimen0%%%dimension => counter -\divide\x@ryl\unitlength -\advance\x@ryl by-80 -\y@ryl=0 -\ifcase\@tmpa% -\def\centeraaa{\@memberb}\@ylswtrue -%\advance\x@ryl by0 -\advance\y@ryl by50 -\or%1 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by30 -\advance\y@ryl by50 -\or%2 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by40 -\advance\y@ryl by40 -\or%3 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by50 -\advance\y@ryl by30 -\or%4 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by50 -\advance\y@ryl by0 -\or%5 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by50 -\advance\y@ryl by-30 -\or%6 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by50 -\advance\y@ryl by-50 -\or%7 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by30 -\advance\y@ryl by-50 -\or%8 -\def\centeraaa{\@memberb}\@ylswtrue -%\advance\x@ryl by0 -\advance\y@ryl by-50 -\fi -\fi\fi}% - \yl@shiftii=-\x@ryl - \yl@shifti=-\y@ryl - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\ifx\centeraaa\empty\else% - \@clipfusetrue - \putratom{-40}{-30}{\centeraaa}% % right type -\fi% -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifcase\@tmpa% -\setatombonda% 0 (upward) (0,1) -\or\setatombondD%1 (-3,5) -\or\setatombondH%2 (-1,1) -\or\setatombondd%3 (-5,3) -\or\setatombondh%4 (-1,0) -\or\setatombondg%5 (-5,-3) -\or\setatombondC%6 (-1,-1) -\or\setatombondG%7 (-3,-5) -\or\setatombondc%8 (0,-1) -\fi%end of ifcase -\fi -}\end{picture}}% %end of \lyl macro -% \end{macrocode} -% \end{macro} -% -% The substituent-setting commands |\setatombondD| etc. are used -% in the macro |\ryl|. -% -% \begin{macro}{\setatombondD} -% \changes{v1.02}{1998/10/25}{New command: \cs{setatombondD}} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -\def\setatombondD{%% (-3,5) - \if@clipfuse% - \if\@tmpb B%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - {% - \thicklines% - \put(-30,50){\line(-3,5){60}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - \@ifundefined{dottedline}{% - \put(-30,50){\line(-3,5){60}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(-30,50)(-90,150)}}% - \else\if\@tmpb U%unspecified single bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - \put(-30,50){\line(-3,5){60}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - \put(-30,50){\line(-3,5){60}}% % single bond at 1 - \else\if\@tmpb D%double bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - \put(-40,44){\line(-3,5){60}}% % single bond at 1 - \put(-20,56){\line(-3,5){60}}% % single bond at 1 - \else\if\@tmpb T%triple bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - \put(-45,41){\line(-3,5){60}}% % single bond at 1 - \put(-30,50){\line(-3,5){60}}% % single bond at 1 - \put(-15,59){\line(-3,5){60}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - \put(-30,50){\line(-3,5){60}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-80}{160}{\@memberb}% % left type - \else%no clipping - \if\@tmpb B%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - {% - \thicklines% - \put(0,0){\line(-3,5){90}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - \@ifundefined{dottedline}{% - \put(0,0){\line(-3,5){90}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(-90,150)}}% - \else\if\@tmpb U%unspecified single bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - \put(0,0){\line(-3,5){90}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - \put(0,0){\line(-3,5){90}}% % single bond at 1 - \else\if\@tmpb D%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - \put(-10,-6){\line(-3,5){90}}% % single bond at 1 - \put(10,6){\line(-3,5){90}}% % single bond at 1 - \else\if\@tmpb T%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - \put(-15,-9){\line(-3,5){90}}% % single bond at 1 - \put(0,0){\line(-3,5){90}}% % single bond at 1 - \put(15,9){\line(-3,5){90}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - \put(0,0){\line(-3,5){90}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-80}{160}{\@memberb}% % left type - \fi% -}% end of \setatombondD -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\setatombondG} -% \changes{v1.02}{1998/10/25}{New command: \cs{setatombondG}} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -\def\setatombondG{%% (-3,-5) - \if@clipfuse% - \yl@xdiff=-10\relax - \yl@ydiff=70\relax - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(-30,-50){\line(-3,-5){60}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(-30,-50){\line(-3,-5){60}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(-30,-50)(-90,-150)}}% - \else\if\@tmpb U%unspecified single bond - \put(-30,-50){\line(-3,-5){60}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(-30,-50){\line(-3,-5){60}}% % single bond at 1 - \else\if\@tmpb D%double bond - \put(-40,-44){\line(-3,-5){60}}% % single bond at 1 - \put(-20,-56){\line(-3,-5){60}}% % single bond at 1 - \else\if\@tmpb T%triple bond - \put(-45,-41){\line(-3,-5){60}}% % single bond at 1 - \put(-30,-50){\line(-3,-5){60}}% % single bond at 1 - \put(-15,-59){\line(-3,-5){60}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(-30,-50){\line(-3,-5){60}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-80}{-220}{\@memberb}% % left type - \else%no clipping - \yl@xdiff=-10\relax - \yl@ydiff=70\relax - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(0,0){\line(-3,-5){90}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(0,0){\line(-3,-5){90}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(-90,-150)}}% - \else\if\@tmpb U%unspecified single bond - \put(0,0){\line(-3,-5){90}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(0,0){\line(-3,-5){90}}% % single bond at 1 - \else\if\@tmpb D%beta single bond - \put(-10,6){\line(-3,-5){90}}% % single bond at 1 - \put(10,-6){\line(-3,-5){90}}% % single bond at 1 - \else\if\@tmpb T%beta single bond - \put(-15,9){\line(-3,-5){90}}% % single bond at 1 - \put(0,0){\line(-3,-5){90}}% % single bond at 1 - \put(15,-9){\line(-3,-5){90}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(0,0){\line(-3,-5){90}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-80}{-220}{\@memberb}% % left type - \fi% -}% end of \setatombondG -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\setatombondH} -% \changes{v1.02}{1998/10/25}{New command: \cs{setatombondH}} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -\def\setatombondH{%% (-1,1) - \yl@xdiff=0\relax - \yl@ydiff=0\relax - \if@clipfuse% - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(-40,40){\line(-1,1){100}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(-40,40){\line(-1,1){100}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(-40,40)(-140,140)}}% - \else\if\@tmpb U%unspecified single bond - \put(-40,40){\line(-1,1){100}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(-40,40){\line(-1,1){100}}% % single bond at 1 - \else\if\@tmpb D%double bond - \put(-46,36){\line(-1,1){100}}% % single bond at 1 - \put(-36,46){\line(-1,1){100}}% % single bond at 1 - \else\if\@tmpb T%triple bond - \put(-50,30){\line(-1,1){100}}% % single bond at 1 - \put(-40,40){\line(-1,1){100}}% % single bond at 1 - \put(-30,50){\line(-1,1){100}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(-40,40){\line(-1,1){100}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-140}{140}{\@memberb}% % left type - \else%no clipping - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(0,0){\line(-1,1){120}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(0,0){\line(-1,1){120}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(-120,120)}}% - \else\if\@tmpb U%unspecified single bond - \put(0,0){\line(-1,1){120}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(0,0){\line(-1,1){120}}% % single bond at 1 - \else\if\@tmpb D%beta single bond - \put(-6,-6){\line(-1,1){120}}% % single bond at 1 - \put(6,6){\line(-1,1){120}}% % single bond at 1 - \else\if\@tmpb T%beta single bond - \put(-10,-10){\line(-1,1){120}}% % single bond at 1 - \put(0,0){\line(-1,1){120}}% % single bond at 1 - \put(10,10){\line(-1,1){120}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(0,0){\line(-1,1){120}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-120}{120}{\@memberb}% % left type - \fi% -}% end of \setatombondH -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\setatombondC} -% \changes{v1.02}{1998/10/25}{New command: \cs{setatombondC}} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -\def\setatombondC{%% (-1,-1) - \if@clipfuse% - \yl@xdiff=0\relax - \yl@ydiff=60\relax - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(-40,-40){\line(-1,-1){100}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(-40,-40){\line(-1,-1){100}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(-40,-40)(-140,-140)}}% - \else\if\@tmpb U%unspecified single bond - \put(-40,-40){\line(-1,-1){100}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(-40,-40){\line(-1,-1){100}}% % single bond at 1 - \else\if\@tmpb D%double bond - \put(-46,-36){\line(-1,-1){100}}% % single bond at 1 - \put(-36,-46){\line(-1,-1){100}}% % single bond at 1 - \else\if\@tmpb T%triple bond - \put(-50,-30){\line(-1,-1){100}}% % single bond at 1 - \put(-40,-40){\line(-1,-1){100}}% % single bond at 1 - \put(-30,-50){\line(-1,-1){100}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(-40,-40){\line(-1,-1){100}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-140}{-200}{\@memberb}% % left type - \else%no clipping - \yl@xdiff=0\relax - \yl@ydiff=60\relax - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(0,0){\line(-1,-1){120}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(0,0){\line(-1,-1){120}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(-120,-120)}}% - \else\if\@tmpb U%unspecified single bond - \put(0,0){\line(-1,-1){120}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(0,0){\line(-1,-1){120}}% % single bond at 1 - \else\if\@tmpb D%beta single bond - \put(-6,6){\line(-1,-1){120}}% % single bond at 1 - \put(6,-6){\line(-1,-1){120}}% % single bond at 1 - \else\if\@tmpb T%beta single bond - \put(-10,10){\line(-1,-1){120}}% % single bond at 1 - \put(0,0){\line(-1,-1){120}}% % single bond at 1 - \put(10,-10){\line(-1,-1){120}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(0,0){\line(-1,-1){120}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-120}{-180}{\@memberb}% % left type - \fi% -}% end of \setatombondC -% \end{macrocode} -% \end{macro} -% -% \section{Minor Linking Units} -% -% \begin{macro}{\ayl} -% \begin{macrocode} -\def\ayl{\@ifnextchar({\@ayl@}{\@ayl@(10,40)}} -\def\@ayl@(#1,#2)#3{\begingroup\yl@xdiff=0 \yl@ydiff=0% -\kern#1\unitlength\raise#2\unitlength\hbox to0pt{#3\hss}% -\endgroup} -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\upnobond} -% \begin{macro}{\downnobond} -% \begin{macrocode} -\def\upnobond#1#2{% -\hbox{\hbox to0.72em{\hss#1\hss}\kern-0.72em\raise2.2ex\hbox{#2}}} -\def\downnobond#1#2{% -\hbox{\hbox to0.72em{\hss#1\hss}\kern-0.72em\lower2.2ex\hbox{#2}}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \section{Spriro-Ring Commands} -% \subsection{Basic Commands for Six-Membered Rings} -% -% For treating spiro-ring fusion, the following basic commands -% (|\test@vertix| and |\test@vertix@sixv|) are added at the -% time of releasing Version 2.00. These commands are generally -% used for detecting hetero atoms at respective vertices of a -% heterocyclic ring. -% -% The command |\test@vertix| is used in |\test@vertix@sixv|. -% which is designed to test the existence of a hetero atom -% (or an equivalent) at each vertix of a six-membered ring. -% -% \begin{macro}{\test@vertix} -% \begin{macro}{\test@vertix@sixv} -% \changes{v2.00}{1998/11/15}{New command: \cs{test@vertix} and -% \cs{test@vertix@sixv}} -% \begin{macrocode} -\def\test@vertix#1{% - \expandafter\def\csname #1#1#1\endcsname{@}% - \if\@tmpb h\relax - \expandafter\def\csname #1#1#1\endcsname{@}% - \else\if\@tmpb s\relax - \expandafter\def\csname #1#1#1\endcsname{}% - \fi\fi} -% \end{macrocode} -% -% The command |\test@vertix@sixv| is designed to test -% the existence of a hetero atom (or an equivalent) -% at each vertix of a six-membered ring. -% -% \begin{macrocode} -\def\test@vertix@sixv#1#2#3#4#5#6#7{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoCH@R\@membera//% -\ifcase\@tmpa% -% \changes{v2.00}{1996/11/14}{@ in place of a net value} - \or \test@vertix{#2}% - \or \test@vertix{#3}% - \or \test@vertix{#4}% - \or - \if\@tmpb a% - \def\iii{@}% - \else - \test@vertix{#5}% - \fi - \or \test@vertix{#6}% - \or \test@vertix{#7}% -\fi\fi}}% end of \test@vertix@sixv -%\def\test@vertix@sixv#1#2#3#4#5#6#7{% -%\@forsemicol\member:=#1\do{% -%\expandafter\@m@mb@r\member;\relax% -%\expandafter\twoch@r\@membera{}% -%\ifcase\@tmpa% -%% \changes{v2.00}{1996/11/14}{@ in place of a net value} -% \or \test@vertix{#2}% -% \or \test@vertix{#3}% -% \or \test@vertix{#4}% -% \or \test@vertix{#5}% -% \or \test@vertix{#6}% -% \or \test@vertix{#7}% -%\fi}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The command |\set@hetatom@sixv| is to set a spiro group -% (stored as |\@memberb|) -% at a vertix designated by |\@tmpaa| (or originally by |\@tmpa|). -% The atom modifier `s' designates that the spiro group contains -% a carbon atom (a vertix) at a spiro position, while `h' -% represents the presence of a hetero atom at a spiro position. -% The absence of such atom modifiers shows the substitution -% of a usual hetero atom. The command |\set@hetatom@sixv| is -% used in such commands as |\sixheterov| and |\sixheterovi| -% for treating thier ATOMLISTs, -% e.g. |1==N;1s==\sixheterov{}{1==(yl)}|. -% -% \begin{macro}{\set@hetatom@sixv} -% \changes{v2.00}{1998/11/15}{New command: \cs{set@hetatom@sixv}} -% \begin{macrocode} -\def\set@hetatom@sixv#1#2#3#4#5{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifnum#5 < 0\relax% -\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax% -\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax \fi -\ifnum\@tmpaa >#3\relax% -\ifnum\@tmpaa <#4\relax% -\ifcase\@tmpaa% -\or%position 1 - \if\@tmpb h\relax - \@acliptrue% - \putratom{0}{356}{\@memberb}% % right type - \else\if\@tmpb s\relax - \@aclipfalse% - \putratom{0}{406}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@acliptrue% - \putratom{-31}{356}{\@memberb}% % right type - \fi\fi\fi -\or%position 2 - \if\@tmpb h\relax - \@bcliptrue% - \putratom{135}{280}{\@memberb}% % right type - \else\if\@tmpb s\relax - \@bclipfalse% - \putratom{175}{303}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@bcliptrue% - \putratom{135}{280}{\@memberb}% % right type - \fi\fi\fi -\or%position 3 - \if\@tmpb h\relax - \@ccliptrue% - \putratom{135}{95}{\@memberb}% % right type - \else\if\@tmpb s\relax - \@cclipfalse% - \putratom{175}{103}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@ccliptrue% - \putratom{135}{65}{\@memberb}% % right type - \fi\fi\fi -\or%position 4 - \if\@tmpb h\relax - \@cliptrue% - \putratom{0}{50}{\@memberb}% % right type - \else\if\@tmpb s\relax - \@clipfalse% - \putratom{0}{0}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@cliptrue% - \putratom{-31}{-10}{\@memberb}% % right type - \fi\fi\fi -\or%position 5 - \if\@tmpb h\relax - \@ecliptrue% - \putlatom{-135}{95}{\@memberb}% % right type - \else\if\@tmpb s\relax - \@eclipfalse% - \putlatom{-175}{103}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@ecliptrue% - \putlatom{-135}{65}{\@memberb}% % left type - \fi\fi\fi -\or%position 6 - \if\@tmpb h\relax - \@fcliptrue% - \putlatom{-135}{280}{\@memberb}% % right type - \else\if\@tmpb s\relax - \@fclipfalse% - \putlatom{-175}{303}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@fcliptrue% - \putlatom{-135}{280}{\@memberb}% % left type - \fi\fi\fi -\fi% end of ifcase -\fi\fi\fi}}% end of the macro \set@hetatom@sixv -% \end{macrocode} -% \end{macro} -% -% The command |\set@hetatom@sixh| is to set a spiro group -% (stored as |\@memberb|) -% at a vertix designated by |\@tmpaa| (or originally by |\@tmpa|). -% The atom modifier `s' designates that the spiro group contains -% a carbon atom (a vertix) at a spiro position, while `h' -% represents the presence of a hetero atom at a spiro position. -% The absence of such atom modifiers shows the substitution -% of a usual hetero atom. The command |\set@hetatom@sixh| is -% used in such commands as |\sixheteroh| and |\sixheterohi| -% for treating thier ATOMLISTs, -% e.g. |1==N;1s==\sixheteroh{}{1==(yl)}|. -% -% \begin{macro}{\set@hetatom@sixh} -% \changes{v2.00}{1998/11/23}{New command: \cs{set@hetatom@sixh}} -% \begin{macrocode} -\def\set@hetatom@sixh#1#2#3#4#5{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -%\expandafter\twoch@r\@membera{}% -\expandafter\twoCH@R\@membera//% -\ifnum#5 < 0\relax% -\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax% -\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax \fi -\ifnum\@tmpaa >#3\relax% -\ifnum\@tmpaa <#4\relax% -\ifcase\@tmpaa% -\or%position 1 - \if\@tmpb h\relax - \@acliptrue% - \putlatom{60}{0}{\@memberb}% % left type - \else\if\@tmpb s\relax - \@aclipfalse% - \putlatom{0}{0}{\@memberb}% % left type - \else\if\@tmpb a\relax%omit fused position - \else - \@acliptrue% - \putlatom{60}{-36}{\@memberb}% % left type - \fi\fi\fi -\or%position 2 - \if\@tmpb h\relax - \@bcliptrue% - \putlatom{135}{141}{\@memberb}% % left type - \else\if\@tmpb s\relax - \@bclipfalse% - \putlatom{103}{171}{\@memberb}% % left type - \else\if\@tmpb a\relax%omit fused position - \else - \@bcliptrue% - \putlatom{135}{141}{\@memberb}% % left type - \fi\fi\fi -\or%position 3 - \if\@tmpb h\relax - \@ccliptrue% - \putratom{273}{141}{\@memberb}% % right type - \else\if\@tmpb s\relax - \@cclipfalse% - \putratom{303}{171}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@ccliptrue% - \putratom{273}{141}{\@memberb}% % right type - \fi\fi\fi -\or%position 4 - \if\@tmpb h\relax - \@cliptrue% - \putratom{346}{0}{\@memberb}% % right type - \else\if\@tmpb s\relax - \@clipfalse% - \putratom{406}{0}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@cliptrue% - \putratom{346}{-36}{\@memberb}% % right type - \fi\fi\fi -\or%position 5 - \if\@tmpb h\relax - \@ecliptrue% - \putratom{283}{-131}{\@memberb}% % right type - \else\if\@tmpb s\relax - \@eclipfalse% - \putratom{303}{-171}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@ecliptrue% - \putratom{273}{-211}{\@memberb}% % right type - \fi\fi\fi -\or%position 6 - \if\@tmpb h\relax - \@fcliptrue% - \putlatom{125}{-131}{\@memberb}% % left type - \else\if\@tmpb s\relax - \@fclipfalse% - \putlatom{103}{-171}{\@memberb}% % left type - \else\if\@tmpb a\relax%omit fused position - \else - \@fcliptrue% - \putlatom{135}{-211}{\@memberb}% % left type - \fi\fi\fi -\fi% end of ifcase -\fi\fi\fi}}% end of the macro \set@hetatom@sixh -% \end{macrocode} -% \end{macro} -% -% \subsection{Basic Commands for Six-Six Rings} -% -% The command |\test@vertix@decav| is designed to test -% the existence of a hetero atom (or an equivalent) -% at each vertix of a six-six fused ring. -% -% \begin{macro}{\test@vertix@decav} -% \begin{macrocode} -\def\test@vertix@decav#1#2#3#4#5#6#7{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa% - \or\or\or\or\or\or - \or \test@vertix{#2}% - \or - \if\@tmpb a% - \def\jjj{@}% - \else - \test@vertix{#3}% - \fi - \or \test@vertix{#4}% - \or \test@vertix{#5}% -% \or \test@vertix{#6}% -% \or \test@vertix{#7}% -\fi\fi}} -% \end{macrocode} -% \end{macro} -% -% The command |\set@vrtx@fuse| is to set an atom (stored as -% |\@memberb|) at one (stored as |\@tmpa|) of the fused vertices -% of a six-six ring. -% These vertices are incapable of accomodating a spiro group. -% On the other hand, the other positions can take spiro groups -% (stored as |\@memberb|), which are treated by means of -% the command |\set@hetatom@sixv|. -% The command |\set@vrtx@fuse| is used in such commands -% as |\decaheterov| for treating thier ATOMLISTs, -% -% \begin{macro}{\set@vrtx@fuse} -% \changes{v2.00}{1998/11/15}{New command: \cs{set@vrtx@fuse}} -% \begin{macrocode} -\def\set@vrtx@fuse#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa% - \or - \or - \or - \or%%%%4 - \if\@tmpb a% - \global\@icliptrue% - \putlatom{207}{65}{\@memberb}% % left type - \else\relax - \fi - \or%5 - \or%6 - \or%7 - \or% - \if\@tmpb a% - \global\@jcliptrue% - \putlatom{207}{280}{\@memberb}% % left type - \else\relax - \fi -\or%9 (= 4a) - \global\@icliptrue% - \putlatom{207}{65}{\@memberb}% % left type -\or%10 (= 8a) - \global\@jcliptrue% - \putlatom{207}{280}{\@memberb}% % left type -\fi\fi}% -}% end of the macro \set@vrtx@fuse -% \end{macrocode} -% \end{macro} -% -% The command |\set@vrtx@fuseh| is to set an atom (stored as -% |\@memberb|) at one (stored as |\@tmpa|) of the fused vertices -% of a six-six ring. -% These vertices are incapable of accomodating a spiro group. -% On the other hand, the other positions can take spiro groups -% (stored as |\@memberb|), which are treated by means of -% the command |\set@hetatom@sixh|. -% The command |\set@vrtx@fuseh| is used in such commands -% as |\decaheteroh| for treating thier ATOMLISTs, -% -% \begin{macro}{\set@vrtx@fuseh} -% \changes{v2.00}{1998/11/15}{New command: \cs{set@vrtx@fuseh}} -% \begin{macrocode} -\def\set@vrtx@fuseh#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoCH@R\@membera//% -\ifcase\@tmpa% - \or - \or - \or - \or%%%%4 - \if\@tmpb a% - \global\@icliptrue% - \putratom{273}{-211}{\@memberb}% % right type - \else\relax - \fi - \or%5 - \or%6 - \or%7 - \or% - \if\@tmpb a% - \global\@jcliptrue% - \putlatom{135}{-211}{\@memberb}% % left type - \else\relax - \fi -\or%9 (= 4a) - \ifx\@tmpb\empty - \global\@icliptrue% - \putratom{273}{-211}{\@memberb}% % right type - \else - \XyMTeXWarning{Forbidden spiro ring for the 4a position}% - \fi -\or%10 (= 8a) - \ifx\@tmpb\empty - \global\@jcliptrue% - \putlatom{135}{-211}{\@memberb}% % left type - \else - \XyMTeXWarning{Forbidden spiro ring for the 8a position}% - \fi -\fi\fi}% -}% end of the macro \set@vrtx@fuseh -% \end{macrocode} -% \end{macro} -% -% \section{Ring-fusion Commands for Six-Membered Rings} -% \subsection{Normal Vertical Type} -% -% The macro |\set@fusionadd@sixv| is an inner command contained -% in the definition of |\sixheterov| etc., where -% the macro is used for setting an additive -% or a fused ring at each bond (designated by |\@@tmpa|). The -% fused ring is typeset by the inner command |\set@fusion@sixv|. -% -% \begin{macro}{\set@fusionadd@sixv} -% \changes{v2.00}{1998/11/15}{New command: \cs{set@fusionadd@sixv}} -% \begin{macrocode} -\def\set@fusionadd@sixv{% - \if\@@tmpa 1\relax% - \putratom{-38}{282}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{60}{253}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{-38}{88}{\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putratom{-90}{253}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{-90}{120}{\@@tmpb}% % right type - \else -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% - \set@fusion@sixv - \fi\fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% \end{macro} -% -% The inner command |\set@fusion@sixv| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@sixv} -% \changes{v2.00}{1998/11/15}{New command: \cs{set@fusion@sixv}} -% \begin{macrocode} -\def\set@fusion@sixv{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% -\if\@@tmpa d\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{d, h, or other}% - \else\if\@@tmpa D\relax% - \putlratom{-171}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{D, H, or other}% - \else\if\@@tmpa e\relax% - \putlratom{-171}{103}{\@@tmpb}% % bond fused - \FuseWarning{0}{-200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e, k, or other}% - \else\if\@@tmpa E\relax% - \putlratom{-171}{303}{\@@tmpb}% % bond fused - \FuseWarning{0}{200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E, K, or other}% - \else\if\@@tmpa f\relax% - \putlratom{-171}{303}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{f, j, or other}% - \else\if\@@tmpa F\relax% - \putlratom{0}{406}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{F, J, or other}% - \else\if\@@tmpa a\relax% - \putlratom{0}{406}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a, i, or other}% - \else\if\@@tmpa A\relax% - \putlratom{171}{303}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A, I, or other}% - \else\if\@@tmpa b\relax% - \putlratom{171}{303}{\@@tmpb}% % bond fused - \FuseWarning{0}{200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b, k, or other}% - \else\if\@@tmpa B\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{0}{-200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B, K, or other}% - \else\if\@@tmpa c\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c, e, or other}% - \else\if\@@tmpa C\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C, E, or other}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@sixv -% \end{macrocode} -% \end{macro} -% -% \subsection{Inverse Vertical Type} -% -% The macro |\set@fusionadd@sixvi| is an inner command contained -% in the definition of |\sixheterovi| etc., where -% the macro is used for setting an additive -% or a fused ring at each bond (designated by |\@@tmpa|). The -% fused ring is typeset by the inner command |\set@fusion@sixvi|. -% -% \begin{macro}{\set@fusionadd@sixvi} -% \changes{v2.00}{1998/11/15}{New command: \cs{set@fusionadd@sixvi}} -% \begin{macrocode} -\def\set@fusionadd@sixvi{% - \if\@@tmpa 4\relax% - \putratom{-38}{282}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{60}{253}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 1\relax% - \putratom{-38}{88}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{-90}{253}{\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putratom{-90}{120}{\@@tmpb}% % right type - \else -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% - \set@fusion@sixvi - \fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusionadd@sixvi -% \end{macrocode} -% \end{macro} -% -% The inner command |\set@fusion@sixvi| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@sixvi} -% \changes{v2.00}{1998/11/15}{New command: \cs{set@fusion@sixvi}} -% \begin{macrocode} -\def\set@fusion@sixvi{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% - \if\@@tmpa a\relax% - \putlratom{0}{0}{\@@tmpb}% % right type - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a or other}% - \else\if\@@tmpa A\relax% - \putlratom{171}{103}{\@@tmpb}% % right type - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A or other}% - \else\if\@@tmpa b\relax% - \putlratom{171}{103}{\@@tmpb}% % right type - \FuseWarning{0}{-200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b or other}% - \else\if\@@tmpa B\relax% - \putlratom{171}{303}{\@@tmpb}% % right type - \FuseWarning{0}{200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B or other}% - \else\if\@@tmpa c\relax% - \putlratom{171}{303}{\@@tmpb}% % right type - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c or other}% - \else\if\@@tmpa C\relax% - \putlratom{0}{406}{\@@tmpb}% % right type - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C or other}% - \else\if\@@tmpa d\relax% - \putlratom{0}{406}{\@@tmpb}% % right type - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{d or other}% - \else\if\@@tmpa D\relax% - \putlratom{-171}{303}{\@@tmpb}% % right type - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{D or other}% - \else\if\@@tmpa e\relax% - \putlratom{-171}{303}{\@@tmpb}% % right type - \FuseWarning{0}{200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e or other}% - \else\if\@@tmpa E\relax% - \putlratom{-171}{103}{\@@tmpb}% % right type - \FuseWarning{0}{-200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E or other}% - \else\if\@@tmpa f\relax% - \putlratom{-171}{103}{\@@tmpb}% % right type - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{f or other}% - \else\if\@@tmpa F\relax% - \putlratom{0}{0}{\@@tmpb}% % right type - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{F or other}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the marcro \set@fusion@sixvi -% \end{macrocode} -% \end{macro} -% -% \subsection{Normal Horizontal Type} -% -% The macro |\set@fusionadd@sixh| is an inner command contained -% in the definition of |\sixheteroh| etc., where -% the macro is used for setting an additive -% or a fused ring at each bond (designated by |\@@tmpa|). The -% fused ring is typeset by the inner command |\set@fusion@sixh|. -% -% \begin{macro}{\set@fusionadd@sixh} -% \changes{v2.00}{1998/11/23}{New command: \cs{set@fusionadd@sixh}} -% \begin{macrocode} -\def\set@fusionadd@sixh{% - \if\@@tmpa 4\relax% - \putratom{272}{-18}{\@@tmpb}% % right type - \else\if\@@tmpa 1\relax% - \putratom{68}{-18}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{233}{60}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{120}{60}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{233}{-110}{\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putratom{120}{-110}{\@@tmpb}% % right type - \else -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% - \set@fusion@sixh - \fi\fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% \end{macro} -% -% The inner command |\set@fusion@sixh| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@sixh} -% \changes{v2.00}{1998/11/23}{New command: \cs{set@fusion@sixh}} -% \begin{macrocode} -\def\set@fusion@sixh{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% -\if\@@tmpa d\relax% - \putlratom{406}{0}{\@@tmpb}% % bond fused - \FuseWarning{103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{d, h, or other}% - \else\if\@@tmpa D\relax% - \putlratom{303}{-171}{\@@tmpb}% % bond fused - \FuseWarning{-103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{D, H, or other}% - \else\if\@@tmpa e\relax% - \putlratom{303}{-171}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e, k, or other}% - \else\if\@@tmpa E\relax% - \putlratom{103}{-171}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E, K, or other}% - \else\if\@@tmpa f\relax% - \putlratom{103}{-171}{\@@tmpb}% % bond fused - \FuseWarning{103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{f, j, or other}% - \else\if\@@tmpa F\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{-103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{F, J, or other}% - \else\if\@@tmpa a\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{-103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a, i, or other}% - \else\if\@@tmpa A\relax% - \putlratom{103}{171}{\@@tmpb}% % bond fused - \FuseWarning{103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A, I, or other}% - \else\if\@@tmpa b\relax% - \putlratom{103}{171}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b, k, or other}% - \else\if\@@tmpa B\relax% - \putlratom{303}{171}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B, K, or other}% - \else\if\@@tmpa c\relax% - \putlratom{303}{171}{\@@tmpb}% % bond fused - \FuseWarning{-103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c, e, or other}% - \else\if\@@tmpa C\relax% - \putlratom{406}{0}{\@@tmpb}% % bond fused -% \FuseWarning{103}{171}% - \FuseWarning{103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C, E, or other}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@sixh -% \end{macrocode} -% \end{macro} -% -% \subsection{Inverse Horizontal Type} -% -% The macro |\set@fusionadd@sixhi| is an inner command contained -% in the definition of |\sixheterohi| etc., where -% the macro is used for setting an additive -% or a fused ring at each bond (designated by |\@@tmpa|). The -% fused ring is typeset by the inner command |\set@fusion@sixhi|. -% -% \begin{macro}{\set@fusionadd@sixhi} -% \changes{v2.00}{1998/11/29}{New command: \cs{set@fusionadd@sixhi}} -% \begin{macrocode} -\def\set@fusionadd@sixhi{% - \if\@@tmpa 1\relax% - \putratom{272}{-18}{\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{68}{-18}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{233}{60}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{120}{60}{\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putratom{233}{-110}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{120}{-110}{\@@tmpb}% % right type - \else -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% - \set@fusion@sixhi - \fi\fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% \end{macro} -% -% The inner command |\set@fusion@sixhi| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@sixhi} -% \changes{v2.00}{1998/11/23}{New command: \cs{set@fusion@sixhi}} -% \begin{macrocode} -\def\set@fusion@sixhi{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% -\if\@@tmpa F\relax% - \putlratom{406}{0}{\@@tmpb}% % bond fused - \FuseWarning{103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{F, J, or other}% - \else\if\@@tmpa f\relax% - \putlratom{303}{-171}{\@@tmpb}% % bond fused - \FuseWarning{-103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{f, j, or other}% - \else\if\@@tmpa E\relax% - \putlratom{303}{-171}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E, K, or other}% - \else\if\@@tmpa e\relax% - \putlratom{103}{-171}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e, k, or other}% - \else\if\@@tmpa D\relax% - \putlratom{103}{-171}{\@@tmpb}% % bond fused - \FuseWarning{103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{D, H, or other}% - \else\if\@@tmpa d\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{-103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{d, h, or other}% - \else\if\@@tmpa C\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{-103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C, E, or other}% - \else\if\@@tmpa c\relax% - \putlratom{103}{171}{\@@tmpb}% % bond fused - \FuseWarning{103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c, e, or other}% - \else\if\@@tmpa B\relax% - \putlratom{103}{171}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B, K, or other}% - \else\if\@@tmpa b\relax% - \putlratom{303}{171}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b, k, or other}% - \else\if\@@tmpa A\relax% - \putlratom{303}{171}{\@@tmpb}% % bond fused - \FuseWarning{-103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A, I, or other}% - \else\if\@@tmpa a\relax% - \putlratom{406}{0}{\@@tmpb}% % bond fused - \FuseWarning{103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a, i, or other}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@sixhi -% \end{macrocode} -% \end{macro} -% -% \section{Ring-fusion Commands for Six-Six Fused Rings} -% \subsection{Conventions for Warning} -% -% \begin{macro}{\UnfavorableFusion} -% \changes{v2.00}{1998/12/23}{New command: \cs{UnfavorableFusion}} -% \begin{macrocode} -\def\UnfavorableFusion#1{\if@smallringsw\else -\XyMTeXWarning{Unfavorable Fusion for bond `#1'}\fi} -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\ForbiddenFusion} -% \changes{v2.00}{1998/12/23}{New command: \cs{ForbiddenFusion}} -% \begin{macrocode} -\def\ForbiddenFusion#1{\if@smallringsw\else -\XyMTeXWarning{Forbidden Fusion for bond `#1'}\fi} -% \end{macrocode} -% \end{macro} -% -% \subsection{Normal Vertical Type} -% -% The macro |\set@fusion@decav| is an inner command contained -% in the definition of |\decalinev| and |\decaheterov|, where -% the macro is used for setting an additive -% or a fused ring at each bond (designated by |\@@tmpa|). The -% fused ring is typeset by the inner command |\set@fusionadd@sixv|. -% -% \begin{macro}{\set@fusion@decav} -% \changes{v2.00}{1998/11/15}{New command: \cs{set@fusion@decav}} -% \begin{macrocode} -\def\set@fusion@decav{% - \let\@@tmpa=\@tmpa - \let\@@tmpb=\@tmpb - \if\@tmpa a% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixv}% - \else\if\@tmpa A% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixv}% - \else\if\@tmpa b% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixv}% - \else\if\@tmpa B% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixv}% - \else\if\@tmpa c% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixv}% - \else\if\@tmpa C% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixv}% - \else\if\@tmpa d% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{d}% - \else\if\@tmpa D% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{D}% - \else\if\@tmpa e% - \edef\@@tmpa{c}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{e}% - \else\if\@tmpa E% - \edef\@@tmpa{C}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{E}% - \else\if\@tmpa f% - \edef\@@tmpa{d}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa F% - \edef\@@tmpa{D}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa g% - \edef\@@tmpa{e}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa G% - \edef\@@tmpa{E}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa h% - \edef\@@tmpa{f}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa H% - \edef\@@tmpa{F}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa i% - \edef\@@tmpa{a}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{i}% - \else\if\@tmpa I% - \edef\@@tmpa{A}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{I}% - \else\if\@tmpa j% - \edef\@@tmpa{f}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{j}% - \else\if\@tmpa J% - \edef\@@tmpa{F}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{J}% - \else\if\@tmpa k% - \edef\@@tmpa{e}% - \put(342,0){\set@fusionadd@sixv}% - \ForbiddenFusion{k}% - \else\if\@tmpa K% - \edef\@@tmpa{E}% - \put(342,0){\set@fusionadd@sixv}% - \ForbiddenFusion{K}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@decav -% \end{macrocode} -% \end{macro} -% -% \subsection{Vertical-Bottom Type} -% -% The macro |\set@fusion@decavb| is an inner command contained -% in the definition of |\decalinevb| and |\decaheterovb| etc., -% where the macro is used for setting an additive -% or a fused ring at each bond (designated by |\@@tmpa|). The -% fused ring is typeset by the inner command |\set@fusionadd@sixv|. -% -% \begin{macro}{\set@fusion@decavb} -% \changes{v2.00}{1998/12/25}{New command: \cs{set@fusion@decavb}} -% \begin{macrocode} -\def\set@fusion@decavb{% - \let\@@tmpa=\@tmpa - \let\@@tmpb=\@tmpb - \if\@tmpa a% - \edef\@@tmpa{b}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa A% - \edef\@@tmpa{B}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa b% - \edef\@@tmpa{c}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa B% - \edef\@@tmpa{C}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa c% - \edef\@@tmpa{d}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa C% - \edef\@@tmpa{D}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa d% - \edef\@@tmpa{e}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{d}% - \else\if\@tmpa D% - \edef\@@tmpa{E}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{D}% - \else\if\@tmpa e% - \edef\@@tmpa{d}% - \put(-171,303){\set@fusionadd@sixv}% - \UnfavorableFusion{e}% - \else\if\@tmpa E% - \edef\@@tmpa{D}% - \put(-171,303){\set@fusionadd@sixv}% - \UnfavorableFusion{E}% - \else\if\@tmpa f% - \edef\@@tmpa{e}% - \put(-171,303){\set@fusionadd@sixv}% - \else\if\@tmpa F% - \edef\@@tmpa{E}% - \put(-171,303){\set@fusionadd@sixv}% - \else\if\@tmpa g% - \edef\@@tmpa{f}% - \put(-171,303){\set@fusionadd@sixv}% - \else\if\@tmpa G% - \edef\@@tmpa{F}% - \put(-171,303){\set@fusionadd@sixv}% - \else\if\@tmpa h% - \edef\@@tmpa{a}% - \put(-171,303){\set@fusionadd@sixv}% - \else\if\@tmpa H% - \edef\@@tmpa{A}% - \put(-171,303){\set@fusionadd@sixv}% - \else\if\@tmpa i% - \edef\@@tmpa{b}% - \put(-171,303){\set@fusionadd@sixv}% - \UnfavorableFusion{i}% - \else\if\@tmpa I% - \edef\@@tmpa{B}% - \put(-171,303){\set@fusionadd@sixv}% - \UnfavorableFusion{I}% - \else\if\@tmpa j% - \edef\@@tmpa{a}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{j}% - \else\if\@tmpa J% - \edef\@@tmpa{A}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{J}% - \else\if\@tmpa k% - \edef\@@tmpa{c}% - \put(-171,303){\set@fusionadd@sixv}% - \ForbiddenFusion{k}% - \else\if\@tmpa K% - \edef\@@tmpa{C}% - \put(-171,303){\set@fusionadd@sixv}% - \ForbiddenFusion{K}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@decavb -% \end{macrocode} -% \end{macro} -% -% \subsection{Vertical-Top Type} -% -% The macro |\set@fusion@decavt| is an inner command contained -% in the definition of |\decalinevt| and |\decaheterovt| etc., -% where the macro is used for setting an additive -% or a fused ring at each bond (designated by |\@@tmpa|). The -% fused ring is typeset by the inner command |\set@fusionadd@sixv|. -% -% \begin{macro}{\set@fusion@decavt} -% \changes{v2.00}{1998/12/25}{New command: \cs{set@fusion@decavt}} -% \begin{macrocode} -\def\set@fusion@decavt{% - \let\@@tmpa=\@tmpa - \let\@@tmpb=\@tmpb - \if\@tmpa a% - \edef\@@tmpa{f}% - \put(171,303){\set@fusionadd@sixv}% - \else\if\@tmpa A% - \edef\@@tmpa{F}% - \put(171,303){\set@fusionadd@sixv}% - \else\if\@tmpa b% - \edef\@@tmpa{a}% - \put(171,303){\set@fusionadd@sixv}% - \else\if\@tmpa B% - \edef\@@tmpa{A}% - \put(171,303){\set@fusionadd@sixv}% - \else\if\@tmpa c% - \edef\@@tmpa{b}% - \put(171,303){\set@fusionadd@sixv}% - \else\if\@tmpa C% - \edef\@@tmpa{B}% - \put(171,303){\set@fusionadd@sixv}% - \else\if\@tmpa d% - \edef\@@tmpa{c}% - \put(171,303){\set@fusionadd@sixv}% - \UnfavorableFusion{d}% - \else\if\@tmpa D% - \edef\@@tmpa{C}% - \put(171,303){\set@fusionadd@sixv}% - \UnfavorableFusion{D}% - \else\if\@tmpa e% - \edef\@@tmpa{b}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{e}% - \else\if\@tmpa E% - \edef\@@tmpa{B}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{E}% - \else\if\@tmpa f% - \edef\@@tmpa{c}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa F% - \edef\@@tmpa{C}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa g% - \edef\@@tmpa{d}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa G% - \edef\@@tmpa{D}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa h% - \edef\@@tmpa{e}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa H% - \edef\@@tmpa{E}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa i% - \edef\@@tmpa{f}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{i}% - \else\if\@tmpa I% - \edef\@@tmpa{F}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{I}% - \else\if\@tmpa j% - \edef\@@tmpa{e}% - \put(171,303){\set@fusionadd@sixv}% - \UnfavorableFusion{j}% - \else\if\@tmpa J% - \edef\@@tmpa{E}% - \put(171,303){\set@fusionadd@sixv}% - \UnfavorableFusion{J}% - \else\if\@tmpa k% - \edef\@@tmpa{d}% - \put(171,303){\set@fusionadd@sixv}% - \ForbiddenFusion{k}% - \else\if\@tmpa K% - \edef\@@tmpa{D}% - \put(171,303){\set@fusionadd@sixv}% - \ForbiddenFusion{K}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of \set@fusion@decavt -% \end{macrocode} -% \end{macro} -% -% \subsection{Normal Horizontal Type} -% -% The macro |\set@fusion@decah| is an inner command contained -% in the definition of |\decalineh| and |\decaheteroh|, where -% the macro is used for setting an additive -% or a fused ring at each bond (designated by |\@@tmpa|). The -% fused ring is typeset by the inner command |\set@fusionadd@sixh|. -% -% \begin{macro}{\set@fusion@decah} -% \changes{v2.00}{1998/11/15}{New command: \cs{set@fusion@decah}} -% \begin{macrocode} -\def\set@fusion@decah{% - \let\@@tmpa=\@tmpa - \let\@@tmpb=\@tmpb - \if\@tmpa a% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixh}% - \else\if\@tmpa A% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixh}% - \else\if\@tmpa b% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixh}% - \else\if\@tmpa B% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixh}% - \else\if\@tmpa c% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixh}% - \else\if\@tmpa C% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixh}% - \else\if\@tmpa d% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixh}% - \UnfavorableFusion{d}% - \else\if\@tmpa D% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixh}% - \UnfavorableFusion{D}% - \else\if\@tmpa e% - \edef\@@tmpa{c}% - \put(0,-342){\set@fusionadd@sixh}% - \UnfavorableFusion{e}% - \else\if\@tmpa E% - \edef\@@tmpa{C}% - \put(0,-342){\set@fusionadd@sixh}% - \UnfavorableFusion{E}% - \else\if\@tmpa f% - \edef\@@tmpa{d}% - \put(0,-342){\set@fusionadd@sixh}% - \else\if\@tmpa F% - \edef\@@tmpa{D}% - \put(0,-342){\set@fusionadd@sixh}% - \else\if\@tmpa g% - \edef\@@tmpa{e}% - \put(0,-342){\set@fusionadd@sixh}% - \else\if\@tmpa G% - \edef\@@tmpa{E}% - \put(0,-342){\set@fusionadd@sixh}% - \else\if\@tmpa h% - \edef\@@tmpa{f}% - \put(0,-342){\set@fusionadd@sixh}% - \else\if\@tmpa H% - \edef\@@tmpa{F}% - \put(0,-342){\set@fusionadd@sixh}% - \else\if\@tmpa i% - \edef\@@tmpa{a}% - \put(0,-342){\set@fusionadd@sixh}% - \UnfavorableFusion{i}% - \else\if\@tmpa I% - \edef\@@tmpa{A}% - \put(0,-342){\set@fusionadd@sixh}% - \UnfavorableFusion{I}% - \else\if\@tmpa j% - \edef\@@tmpa{f}% - \put(0,0){\set@fusionadd@sixh}% - \UnfavorableFusion{j}% - \else\if\@tmpa J% - \edef\@@tmpa{F}% - \put(0,0){\set@fusionadd@sixh}% - \UnfavorableFusion{J}% - \else\if\@tmpa k% - \edef\@@tmpa{e}% - \put(0,0){\set@fusionadd@sixh}% - \ForbiddenFusion{k}% - \else\if\@tmpa K% - \edef\@@tmpa{E}% - \put(0,0){\set@fusionadd@sixh}% - \ForbiddenFusion{K}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@decah -% \end{macrocode} -% \end{macro} -% -% \section{Ring-fusion Commands for Six-Six-Six Fused Rings} -% \subsection{Normal Vertical Type of Anthracenes} -% -% The macro |\set@fusion@hanthrav| is an inner command contained -% in the definition of |\hanthracenev|, where -% the macro is used for setting an additive -% or a fused ring at each bond (designated by |\@@tmpa|). The -% fused ring is typeset by the inner command |\set@fusionadd@sixv|. -% -% \begin{macro}{\set@fusion@hanthrav} -% \changes{v2.00}{1998/11/23}{New command: \cs{set@fusion@hanthrav}} -% \begin{macrocode} -\def\set@fusion@hanthrav{% - \let\@@tmpa=\@tmpa - \let\@@tmpb=\@tmpb - \if\@tmpa a% - \let\@@tmpa=\@tmpa - \put(684,0){\set@fusionadd@sixv}% - \else\if\@tmpa A% - \let\@@tmpa=\@tmpa - \put(684,0){\set@fusionadd@sixv}% - \else\if\@tmpa b% - \let\@@tmpa=\@tmpa - \put(684,0){\set@fusionadd@sixv}% - \else\if\@tmpa B% - \let\@@tmpa=\@tmpa - \put(684,0){\set@fusionadd@sixv}% - \else\if\@tmpa c% - \let\@@tmpa=\@tmpa - \put(684,0){\set@fusionadd@sixv}% - \else\if\@tmpa C% - \let\@@tmpa=\@tmpa - \put(684,0){\set@fusionadd@sixv}% - \else\if\@tmpa d% - \let\@@tmpa=\@tmpa - \put(684,0){\set@fusionadd@sixv}% - \UnfavorableFusion{d}% - \else\if\@tmpa D% - \let\@@tmpa=\@tmpa - \put(684,0){\set@fusionadd@sixv}% - \UnfavorableFusion{D}% - \else\if\@tmpa e% - \edef\@@tmpa{c}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{e}% - \else\if\@tmpa E% - \edef\@@tmpa{C}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{E}% - \else\if\@tmpa f% - \edef\@@tmpa{d}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{f}% - \else\if\@tmpa F% - \edef\@@tmpa{D}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{F}% - \else\if\@tmpa g% - \edef\@@tmpa{c}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{g}% - \else\if\@tmpa G% - \edef\@@tmpa{C}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{G}% - \else\if\@tmpa h% - \edef\@@tmpa{d}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa H% - \edef\@@tmpa{D}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa i% - \edef\@@tmpa{e}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa I% - \edef\@@tmpa{E}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa j% - \edef\@@tmpa{f}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa J% - \edef\@@tmpa{F}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa k% - \edef\@@tmpa{a}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{k}% - \else\if\@tmpa K% - \edef\@@tmpa{A}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{K}% - \else\if\@tmpa l% - \edef\@@tmpa{f}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{l}% - \else\if\@tmpa L% - \edef\@@tmpa{F}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{L}% - \else\if\@tmpa m% - \edef\@@tmpa{a}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{m}% - \else\if\@tmpa M% - \edef\@@tmpa{A}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{M}% - \else\if\@tmpa n% - \edef\@@tmpa{f}% - \put(684,0){\set@fusionadd@sixv}% - \UnfavorableFusion{n}% - \else\if\@tmpa N% - \edef\@@tmpa{F}% - \put(684,0){\set@fusionadd@sixv}% - \UnfavorableFusion{N}% - \else\if\@tmpa o% - \edef\@@tmpa{e}% - \put(684,0){\set@fusionadd@sixv}% - \ForbiddenFusion{o}% - \else\if\@tmpa O% - \edef\@@tmpa{E}% - \put(684,0){\set@fusionadd@sixv}% - \ForbiddenFusion{O}% - \else\if\@tmpa p% - \edef\@@tmpa{e}% - \put(342,0){\set@fusionadd@sixv}% - \ForbiddenFusion{p}% - \else\if\@tmpa P% - \edef\@@tmpa{E}% - \put(342,0){\set@fusionadd@sixv}% - \ForbiddenFusion{P}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@hanthrav -% \end{macrocode} -% \end{macro} -% -% \subsection{Normal Vertical Type of Phenanthrenes} -% -% The macro |\set@fusion@hphenanv| is an inner command contained -% in the definition of |\hphenanthrenev|, where -% the macro is used for setting an additive -% or a fused ring at each bond (designated by |\@@tmpa|). The -% fused ring is typeset by the inner command |\set@fusionadd@sixv|. -% -% \begin{macro}{\set@fusion@hphenanv} -% \changes{v2.00}{1998/11/23}{New command: \cs{set@fusion@phenanv}} -% \begin{macrocode} -\def\set@fusion@hphenanv{% - \let\@@tmpa=\@tmpa - \let\@@tmpb=\@tmpb - \if\@tmpa a% - \edef\@@tmpa{b}% - \put(513,303){\set@fusionadd@sixv}% - \else\if\@tmpa A% - \edef\@@tmpa{B}% - \put(513,303){\set@fusionadd@sixv}% - \else\if\@tmpa b% - \edef\@@tmpa{a}% - \put(513,303){\set@fusionadd@sixv}% - \else\if\@tmpa B% - \edef\@@tmpa{A}% - \put(513,303){\set@fusionadd@sixv}% - \else\if\@tmpa c% - \edef\@@tmpa{f}% - \put(513,303){\set@fusionadd@sixv}% - \else\if\@tmpa C% - \edef\@@tmpa{F}% - \put(513,303){\set@fusionadd@sixv}% - \else\if\@tmpa d% - \edef\@@tmpa{e}% - \put(513,303){\set@fusionadd@sixv}% - \UnfavorableFusion{d}% - \else\if\@tmpa D% - \edef\@@tmpa{E}% - \put(513,303){\set@fusionadd@sixv}% - \UnfavorableFusion{D}% - \else\if\@tmpa e% - \edef\@@tmpa{f}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{e}% - \else\if\@tmpa E% - \edef\@@tmpa{F}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{E}% - \else\if\@tmpa f% - \edef\@@tmpa{a}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{f}% - \else\if\@tmpa F% - \edef\@@tmpa{A}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{F}% - \else\if\@tmpa g% - \edef\@@tmpa{f}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa G% - \edef\@@tmpa{F}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa h% - \edef\@@tmpa{e}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa H% - \edef\@@tmpa{E}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa i% - \edef\@@tmpa{d}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa I% - \edef\@@tmpa{D}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa j% - \edef\@@tmpa{c}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{j}% - \else\if\@tmpa J% - \edef\@@tmpa{C}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{J}% - \else\if\@tmpa k% - \edef\@@tmpa{d}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{k}% - \else\if\@tmpa K% - \edef\@@tmpa{D}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{K}% - \else\if\@tmpa l% - \edef\@@tmpa{c}% - \put(342,0){\set@fusionadd@sixv}% - \else\if\@tmpa L% - \edef\@@tmpa{C}% - \put(342,0){\set@fusionadd@sixv}% - \else\if\@tmpa m% - \edef\@@tmpa{b}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{m}% - \else\if\@tmpa M% - \edef\@@tmpa{B}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{M}% - \else\if\@tmpa n% - \edef\@@tmpa{c}% - \put(513,303){\set@fusionadd@sixv}% - \UnfavorableFusion{n}% - \else\if\@tmpa N% - \edef\@@tmpa{C}% - \put(513,303){\set@fusionadd@sixv}% - \UnfavorableFusion{N}% - \else\if\@tmpa o% - \edef\@@tmpa{d}% - \put(513,303){\set@fusionadd@sixv}% - \ForbiddenFusion{o}% - \else\if\@tmpa O% - \edef\@@tmpa{D}% - \put(513,303){\set@fusionadd@sixv}% - \ForbiddenFusion{O}% - \else\if\@tmpa p% - \edef\@@tmpa{e}% - \put(342,0){\set@fusionadd@sixv}% - \ForbiddenFusion{p}% - \else\if\@tmpa P% - \edef\@@tmpa{E}% - \put(342,0){\set@fusionadd@sixv}% - \ForbiddenFusion{P}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@hphananv -% \end{macrocode} -% \end{macro} -% -% \section{Ring-fusion Commands for Five-Membered Rings} -% \subsection{Normal vertical type} -% -% The macro |\set@fusionadd@fivev| is an inner command contained -% in the definition of |\fiveheterov| etc., where -% the macro is used for setting an additive -% or a fused ring at each bond (designated by |\@@tmpa|). The -% fused ring is typeset by the inner command |\set@fusion@fivev|. -% -% \begin{macro}{\set@fusionadd@fivev} -% \changes{v2.00}{1998/12/4}{New command: \cs{set@fusionadd@fivev}} -% \begin{macrocode} -\def\set@fusionadd@fivev{% - \if\@@tmpa 1\relax% - \putratom{-38}{88}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{60}{233}{\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{-60}{233}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{-60}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 0\relax% - \putratom{-38}{150}{\@@tmpb}% % right type - \else -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% - \set@fusion@fivev - \fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusionadd@fivev -% \end{macrocode} -% \end{macro} -% -% The inner command |\set@fusion@fivev| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@fivev} -% \changes{v2.00}{1998/12/4}{New command: \cs{set@fusion@fivev}} -% \begin{macrocode} -\def\set@fusion@fivev{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% - \if\@@tmpa a\relax% - \putlratom{0}{0}{\@@tmpb}% % right type - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{171}{103}{\@@tmpb}% % right type - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa b\relax% - \putlratom{171}{103}{\@@tmpb}% % right type - \FuseWarning{0}{-200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{171}{303}{\@@tmpb}% % right type - \FuseWarning{0}{200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \else\if\@@tmpa c\relax - \XyMTeXWarning{Not-used fusion at bond `c'}% - \else\if\@@tmpa C\relax% - \XyMTeXWarning{Not-used fusion at bond `C'}% - \else\if\@@tmpa d\relax% - \putlratom{-171}{303}{\@@tmpb}% % right type - \FuseWarning{0}{200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{d}% - \else\if\@@tmpa D\relax% - \putlratom{-171}{103}{\@@tmpb}% % right type - \FuseWarning{0}{-200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{D}% - \else\if\@@tmpa e\relax% - \putlratom{-171}{103}{\@@tmpb}% % right type - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e}% - \else\if\@@tmpa E\relax% - \putlratom{0}{0}{\@@tmpb}% % right type - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the marcro \set@fusion@fivev -% \end{macrocode} -% \end{macro} -% -% \subsection{Inverse vertical type} -% -% The macro |\set@fusionadd@fivevi| is an inner command contained -% in the definition of |\fiveheterov| etc., where -% the macro is used for setting an additive -% or a fused ring at each bond (designated by |\@@tmpa|). The -% fused ring is typeset by the inner command |\set@fusion@fivevi|. -% -% \begin{macro}{\set@fusionadd@fivevi} -% \changes{v2.00}{1998/12/4}{New command: \cs{set@fusionadd@fivevi}} -% \begin{macrocode} -\def\set@fusionadd@fivevi{% - \if\@@tmpa 1\relax% - \putratom{-38}{282}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{60}{233}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{-60}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{-60}{233}{\@@tmpb}% % right type - \else\if\@@tmpa 0\relax% - \putratom{-38}{213}{\@@tmpb}% % right type - \else -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% - \set@fusion@fivevi - \fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusionadd@fivevi -% \end{macrocode} -% \end{macro} -% -% The inner command |\set@fusion@fivevi| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@fivevi} -% \changes{v2.00}{1998/12/4}{New command: \cs{set@fusion@fivevi}} -% \begin{macrocode} -\def\set@fusion@fivevi{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% -\if\@@tmpa d\relax% - \putlratom{-171}{103}{\@@tmpb}% % bond fused - \FuseWarning{0}{-200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{d, k, or other}% - \else\if\@@tmpa D\relax% - \putlratom{-171}{303}{\@@tmpb}% % bond fused - \FuseWarning{0}{200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{D, K, or other}% - \else\if\@@tmpa e\relax% - \putlratom{-171}{303}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e, j, or other}% - \else\if\@@tmpa E\relax% - \putlratom{0}{406}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E, J, or other}% - \else\if\@@tmpa a\relax% - \putlratom{0}{406}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a, i, or other}% - \else\if\@@tmpa A\relax% - \putlratom{171}{303}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A, I, or other}% - \else\if\@@tmpa b\relax% - \putlratom{171}{303}{\@@tmpb}% % bond fused - \FuseWarning{0}{200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b, k, or other}% - \else\if\@@tmpa B\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{0}{-200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B, K, or other}% - \else\if\@@tmpa c\relax - \XyMTeXWarning{Not-used fusion at bond `c'}% - \else\if\@@tmpa C\relax% - \XyMTeXWarning{Not-used fusion at bond `C'}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@fivevi -% \end{macrocode} -% \end{macro} -% -% \subsection{Normal horizontal type} -% -% The macro |\set@fusionadd@fiveh| is an inner command contained -% in the definition of |\fiveheteroh| etc., where -% the macro is used for setting an additive -% or a fused ring at each bond (designated by |\@@tmpa|). The -% fused ring is typeset by the inner command |\set@fusion@fiveh|. -% -% \begin{macro}{\set@fusionadd@fiveh} -% \changes{v2.00}{1998/11/29}{New command: \cs{set@fusionadd@fiveh}} -% \begin{macrocode} -\def\set@fusionadd@fiveh{% - \if\@@tmpa 1\relax% - \putratom{272}{-18}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{233}{60}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{120}{60}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{233}{-110}{\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{120}{-110}{\@@tmpb}% % right type - \else\if\@@tmpa 0\relax% - \putratom{196}{-30}{\@@tmpb}% % right type - \else -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% - \set@fusion@fiveh - \fi\fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% \end{macro} -% -% The inner command |\set@fusion@fiveh| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@fiveh} -% \changes{v2.00}{1998/11/23}{New command: \cs{set@fusion@fiveh}} -% \begin{macrocode} -\def\set@fusion@fiveh{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% -\if\@@tmpa E\relax% - \putlratom{406}{0}{\@@tmpb}% % bond fused - \FuseWarning{103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E, J, or other}% - \else\if\@@tmpa e\relax% - \putlratom{303}{-171}{\@@tmpb}% % bond fused - \FuseWarning{-103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e, j, or other}% - \else\if\@@tmpa D\relax% - \putlratom{303}{-171}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{D, K, or other}% - \else\if\@@tmpa d\relax% - \putlratom{103}{-171}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{d, k, or other}% - \else\if\@@tmpa c\relax - \XyMTeXWarning{Not-used fusion at bond `c'}% - \else\if\@@tmpa C\relax% - \XyMTeXWarning{Not-used fusion at bond `C'}% - \else\if\@@tmpa B\relax% - \putlratom{103}{171}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B, K, or other}% - \else\if\@@tmpa b\relax% - \putlratom{303}{171}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b, k, or other}% - \else\if\@@tmpa A\relax% - \putlratom{303}{171}{\@@tmpb}% % bond fused - \FuseWarning{-103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A, I, or other}% - \else\if\@@tmpa a\relax% - \putlratom{406}{0}{\@@tmpb}% % bond fused - \FuseWarning{103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a, i, or other}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@fiveh -% \end{macrocode} -% \end{macro} -% -% \subsection{Inverse horizontal type} -% -% The macro |\set@fusionadd@fivehi| is an inner command contained -% in the definition of |\fiveheterohi| etc., where -% the macro is used for setting an additive -% or a fused ring at each bond (designated by |\@@tmpa|). The -% fused ring is typeset by the inner command |\set@fusion@fivehi|. -% -% \begin{macro}{\set@fusionadd@fivehi} -% \changes{v2.00}{1998/11/23}{New command: \cs{set@fusionadd@fivehi}} -% \begin{macrocode} -\def\set@fusionadd@fivehi{% - \if\@@tmpa 1\relax% - \putratom{-38}{282}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{60}{233}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{-60}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{-60}{233}{\@@tmpb}% % right type - \else\if\@@tmpa 0\relax% - \putratom{140}{-30}{\@@tmpb}% % right type - \else -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% - \set@fusion@fivehi - \fi\fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% \end{macro} -% -% The inner command |\set@fusion@fivehi| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@fivehi} -% \changes{v2.00}{1998/11/23}{New command: \cs{set@fusion@fivehi}} -% \begin{macrocode} -\def\set@fusion@fivehi{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% -\if\@@tmpa d\relax% - \putlratom{303}{-171}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{d, k, or other}% - \else\if\@@tmpa D\relax% - \putlratom{103}{-171}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{D, K, or other}% - \else\if\@@tmpa e\relax% - \putlratom{103}{-171}{\@@tmpb}% % bond fused - \FuseWarning{103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e, j, or other}% - \else\if\@@tmpa E\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{-103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E, J, or other}% - \else\if\@@tmpa a\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{-103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a, i, or other}% - \else\if\@@tmpa A\relax% - \putlratom{103}{171}{\@@tmpb}% % bond fused - \FuseWarning{103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A, I, or other}% - \else\if\@@tmpa b\relax% - \putlratom{103}{171}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b, k, or other}% - \else\if\@@tmpa B\relax% - \putlratom{303}{171}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B, K, or other}% - \else\if\@@tmpa c\relax - \XyMTeXWarning{Not-used fusion at bond `c'}% - \else\if\@@tmpa C\relax% - \XyMTeXWarning{Not-used fusion at bond `C'}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@sixh -% \end{macrocode} -% \end{macro} -% -% \section{Ring-fusion Commands for Six-Five-fused Rings} -% \subsection{Normal vertical type} -% -% The macro |\set@fusion@nonav| is an inner command contained -% in the definition of |\indanev| and |\nonaheterov|, where -% the macro is used for setting an additive -% or a fused ring at each bond (designated by |\@@tmpa|). The -% fused ring is typeset by the inner command |\set@fusionadd@sixvi|. -% -% \begin{macro}{\set@fusion@nonav} -% \begin{macrocode} -\def\set@fusion@nonav{% - \let\@@tmpa=\@tmpa - \let\@@tmpb=\@tmpb - \if\@tmpa a% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixvi}% - \else\if\@tmpa A% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixvi}% - \else\if\@tmpa b% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixvi}% - \else\if\@tmpa B% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixvi}% - \else\if\@tmpa c\relax - \XyMTeXWarning{Not-used fusion at bond `c'}% - \else\if\@tmpa C\relax% - \XyMTeXWarning{Not-used fusion at bond `C'}% - \else\if\@tmpa d% - \edef\@@tmpa{c}% - \put(0,0){\set@fusionadd@sixvi}% - \UnfavorableFusion{d}% - \else\if\@tmpa D% - \edef\@@tmpa{C}% - \put(0,0){\set@fusionadd@sixvi}% - \UnfavorableFusion{D}% - \else\if\@tmpa e% - \edef\@@tmpa{d}% - \put(0,0){\set@fusionadd@sixvi}% - \else\if\@tmpa E% - \edef\@@tmpa{D}% - \put(0,0){\set@fusionadd@sixvi}% - \else\if\@tmpa f% - \edef\@@tmpa{e}% - \put(0,0){\set@fusionadd@sixvi}% - \else\if\@tmpa F% - \edef\@@tmpa{E}% - \put(0,0){\set@fusionadd@sixvi}% - \else\if\@tmpa g% - \edef\@@tmpa{f}% - \put(0,0){\set@fusionadd@sixvi}% - \else\if\@tmpa G% - \edef\@@tmpa{F}% - \put(0,0){\set@fusionadd@sixvi}% - \else\if\@tmpa h% - \edef\@@tmpa{a}% - \put(0,0){\set@fusionadd@sixvi}% - \UnfavorableFusion{h}% - \else\if\@tmpa H% - \edef\@@tmpa{A}% - \put(0,0){\set@fusionadd@sixvi}% - \UnfavorableFusion{H}% - \else\if\@tmpa i% - \edef\@@tmpa{f}% - \put(342,0){\set@fusionadd@sixvi}% - \UnfavorableFusion{i}% - \else\if\@tmpa I% - \edef\@@tmpa{F}% - \put(342,0){\set@fusionadd@sixvi}% - \UnfavorableFusion{I}% - \else\if\@tmpa j% - \edef\@@tmpa{e}% - \put(342,0){\set@fusionadd@sixvi}% - \ForbiddenFusion{j}% - \else\if\@tmpa J% - \edef\@@tmpa{E}% - \put(342,0){\set@fusionadd@sixvi}% - \ForbiddenFusion{J}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@nonav -% \end{macrocode} -% \end{macro} -% -% \subsection{Inverse vertical type} -% -% The macro |\set@fusion@nonavi| is an inner command contained -% in the definition of |\indanevi| and |\nonaheterovi|, where -% the macro is used for setting an additive -% or a fused ring at each bond (designated by |\@@tmpa|). The -% fused ring is typeset by the inner command |\set@fusionadd@sixv|. -% -% \begin{macro}{\set@fusion@nonavi} -% \changes{v2.00}{1998/12/5}{New command: \cs{set@fusion@nonavi}} -% \begin{macrocode} -\def\set@fusion@nonavi{% - \let\@@tmpa=\@tmpa - \let\@@tmpb=\@tmpb - \if\@tmpa a% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixv}% - \else\if\@tmpa A% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixv}% - \else\if\@tmpa b% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixv}% - \else\if\@tmpa B% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixv}% - \else\if\@tmpa c\relax - \XyMTeXWarning{Not-used fusion at bond `c'}% - \else\if\@tmpa C\relax% - \XyMTeXWarning{Not-used fusion at bond `C'}% - \else\if\@tmpa d% - \edef\@@tmpa{c}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{d}% - \else\if\@tmpa D% - \edef\@@tmpa{C}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{D}% - \else\if\@tmpa e% - \edef\@@tmpa{d}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa E% - \edef\@@tmpa{D}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa f% - \edef\@@tmpa{e}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa F% - \edef\@@tmpa{E}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa g% - \edef\@@tmpa{f}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa G% - \edef\@@tmpa{F}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa h% - \edef\@@tmpa{a}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{h}% - \else\if\@tmpa H% - \edef\@@tmpa{A}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{H}% - \else\if\@tmpa i% - \edef\@@tmpa{f}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{i}% - \else\if\@tmpa I% - \edef\@@tmpa{F}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{I}% - \else\if\@tmpa j% - \edef\@@tmpa{e}% - \put(342,0){\set@fusionadd@sixv}% - \ForbiddenFusion{j}% - \else\if\@tmpa J% - \edef\@@tmpa{E}% - \put(342,0){\set@fusionadd@sixv}% - \ForbiddenFusion{J}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@nonavi -% \end{macrocode} -% \end{macro} -% -% \subsection{Normal horizontal type} -% -% The macro |\set@fusion@nonah| is an inner command contained -% in the definition of |\nonaheteroh|, where -% the macro is used for setting an additive -% or a fused ring at each bond (designated by |\@@tmpa|). The -% fused ring is typeset by the inner command |\set@fusionadd@sixhi|. -% -% \begin{macro}{\set@fusion@nonah} -% \changes{v2.00}{1998/12/6}{New command: \cs{set@fusion@nonah}} -% \begin{macrocode} -\def\set@fusion@nonah{% - \let\@@tmpa=\@tmpa - \let\@@tmpb=\@tmpb - \if\@tmpa a% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixhi}% - \else\if\@tmpa A% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixhi}% - \else\if\@tmpa b% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixhi}% - \else\if\@tmpa B% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixhi}% - \else\if\@tmpa c\relax - \XyMTeXWarning{Not-used fusion at bond `c'}% - \else\if\@tmpa C\relax% - \XyMTeXWarning{Not-used fusion at bond `C'}% - \else\if\@tmpa d% - \edef\@@tmpa{c}% - \put(0,-342){\set@fusionadd@sixhi}% - \UnfavorableFusion{d}% - \else\if\@tmpa D% - \edef\@@tmpa{C}% - \put(0,-342){\set@fusionadd@sixhi}% - \UnfavorableFusion{D}% - \else\if\@tmpa e% - \edef\@@tmpa{d}% - \put(0,-342){\set@fusionadd@sixhi}% - \else\if\@tmpa E% - \edef\@@tmpa{D}% - \put(0,-342){\set@fusionadd@sixhi}% - \else\if\@tmpa f% - \edef\@@tmpa{e}% - \put(0,-342){\set@fusionadd@sixhi}% - \else\if\@tmpa F% - \edef\@@tmpa{E}% - \put(0,-342){\set@fusionadd@sixhi}% - \else\if\@tmpa g% - \edef\@@tmpa{f}% - \put(0,-342){\set@fusionadd@sixhi}% - \else\if\@tmpa G% - \edef\@@tmpa{F}% - \put(0,-342){\set@fusionadd@sixhi}% - \else\if\@tmpa h% - \edef\@@tmpa{a}% - \put(0,-342){\set@fusionadd@sixhi}% - \UnfavorableFusion{h}% - \else\if\@tmpa H% - \edef\@@tmpa{A}% - \put(0,-342){\set@fusionadd@sixhi}% - \UnfavorableFusion{H}% - \else\if\@tmpa i% - \edef\@@tmpa{f}% - \put(0,0){\set@fusionadd@sixhi}% - \UnfavorableFusion{i}% - \else\if\@tmpa I% - \edef\@@tmpa{F}% - \put(0,0){\set@fusionadd@sixhi}% - \UnfavorableFusion{I}% - \else\if\@tmpa j% - \edef\@@tmpa{e}% - \put(0,0){\set@fusionadd@sixhi}% - \ForbiddenFusion{j}% - \else\if\@tmpa J% - \edef\@@tmpa{E}% - \put(0,0){\set@fusionadd@sixhi}% - \ForbiddenFusion{J}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@nonah -% \end{macrocode} -% \end{macro} -% -% \subsection{Inverse horizontal type} -% -% The macro |\set@fusion@nonahi| is an inner command contained -% in the definition of |\indanehi| and |\nonaheterohi|, where -% the macro is used for setting an additive -% or a fused ring at each bond (designated by |\@@tmpa|). The -% fused ring is typeset by the inner command |\set@fusionadd@sixh|. -% -% \begin{macro}{\set@fusion@nonahi} -% \changes{v2.00}{1998/12/5}{New command: \cs{set@fusion@nonahi}} -% \begin{macrocode} -\def\set@fusion@nonahi{% - \let\@@tmpa=\@tmpa - \let\@@tmpb=\@tmpb - \if\@tmpa a% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixh}% - \else\if\@tmpa A% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixh}% - \else\if\@tmpa b% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixh}% - \else\if\@tmpa B% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixh}% - \else\if\@tmpa c\relax - \XyMTeXWarning{Not-used fusion at bond `c'}% - \else\if\@tmpa C\relax% - \XyMTeXWarning{Not-used fusion at bond `C'}% - \else\if\@tmpa d% - \edef\@@tmpa{c}% - \put(0,-342){\set@fusionadd@sixh}% - \UnfavorableFusion{d}% - \else\if\@tmpa D% - \edef\@@tmpa{C}% - \put(0,-342){\set@fusionadd@sixh}% - \UnfavorableFusion{D}% - \else\if\@tmpa e% - \edef\@@tmpa{d}% - \put(0,-342){\set@fusionadd@sixh}% - \else\if\@tmpa E% - \edef\@@tmpa{D}% - \put(0,-342){\set@fusionadd@sixh}% - \else\if\@tmpa f% - \edef\@@tmpa{e}% - \put(0,-342){\set@fusionadd@sixh}% - \else\if\@tmpa F% - \edef\@@tmpa{E}% - \put(0,-342){\set@fusionadd@sixh}% - \else\if\@tmpa g% - \edef\@@tmpa{f}% - \put(0,-342){\set@fusionadd@sixh}% - \else\if\@tmpa G% - \edef\@@tmpa{F}% - \put(0,-342){\set@fusionadd@sixh}% - \else\if\@tmpa h% - \edef\@@tmpa{a}% - \put(0,-342){\set@fusionadd@sixh}% - \UnfavorableFusion{h}% - \else\if\@tmpa H% - \edef\@@tmpa{A}% - \put(0,-342){\set@fusionadd@sixh}% - \UnfavorableFusion{H}% - \else\if\@tmpa i% - \edef\@@tmpa{f}% - \put(0,0){\set@fusionadd@sixh}% - \UnfavorableFusion{i}% - \else\if\@tmpa I% - \edef\@@tmpa{F}% - \put(0,0){\set@fusionadd@sixh}% - \UnfavorableFusion{I}% - \else\if\@tmpa j% - \edef\@@tmpa{e}% - \put(0,0){\set@fusionadd@sixh}% - \ForbiddenFusion{j}% - \else\if\@tmpa J% - \edef\@@tmpa{E}% - \put(0,0){\set@fusionadd@sixh}% - \ForbiddenFusion{J}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@nonahi -% -% \end{macrocode} -% \end{macro} -% -% \Finale -% -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/chemstr.ins b/Master/texmf-dist/source/latex/xymtex/chemstr.ins deleted file mode 100644 index 09f26e8d7c9..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/chemstr.ins +++ /dev/null @@ -1,50 +0,0 @@ -\def\batchfile{chemstr.ins} -\input docstrip.tex -\preamble - -This is a generated file. - -Copyright 1996, 1988 by Shinsaku Fujita - -This file is part of the XyMTeX system. -======================================= - -Version 1.01 Released on August 16, 1996 -Version 1.02 Released on October 31, 1998 (private version) -Version 2.00 Released on December 25, 1998 - -Copyright (C) 1996, 1998 by Shinsaku Fujita, all rights reserved. -This style file is created for drawing chemical structural formulas -This style file is to be contained in the ``xymtex'' directory which -is an input directory for TeX. - -Copying of this file is authorized only if either - - (1) you make absolutely no changes to your copy, including name and - directory name - (2) if you do make changes, - (a) you name it something other than the names included in the - ``xymtex'' directory and - (b) you acknowledge the original name. - This restriction ensures that all standard styles are identical. - -======================================= - -This file contains several codes modified from latex.tex (LaTeX2.09) -and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -Copyright 1994 the LaTeX3 project and the individual authors (For further -copyright information see the file legal.txt of the LaTeX2e standard -distribution, and any other copyright indicated in this file.) - -\endpreamble - -\keepsilent - -\generateFile{chemstr.drv}{t}{% - \from{chemstr.dtx}{driver}} - -\generateFile{chemstr.sty}{t}{% - \from{chemstr.dtx}{chemstr}} - -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/doins.bat b/Master/texmf-dist/source/latex/xymtex/doins.bat deleted file mode 100644 index 38a90a2f401..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/doins.bat +++ /dev/null @@ -1,14 +0,0 @@ -platex aliphat.ins -platex carom.ins -platex ccycle.ins -platex chemist.ins -platex chemstr.ins -platex hcycle.ins -platex hetarom.ins -platex hetaromh.ins -platex locant.ins -platex lowcycle.ins -platex polymers.ins -platex methylen.ins -platex fusering.ins - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/fusering.drv b/Master/texmf-dist/source/latex/xymtex/fusering.drv deleted file mode 100644 index 937c74106ca..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/fusering.drv +++ /dev/null @@ -1,80 +0,0 @@ -%% -%% This is file `fusering.drv', -%% generated with the docstrip utility. -%% -%% The original source files were: -%% -%% fusering.dtx (with options: `driver') -%% -%% This is a generated file. -%% -%% Copyright 1998 by Shinsaku Fujita -%% -%% This file is part of the XyMTeX system. -%% ======================================= -%% -%% Version 1.02 Released on October 31, 1998 (private version) -%% Version 2.00 Released on December 25, 1998 -%% -%% Copyright (C) 1998 by Shinsaku Fujita, all rights reserved. -%% This style file is created for drawing chemical structural formulas -%% This style file is to be contained in the ``xymtex'' directory which -%% is an input directory for TeX. -%% -%% Copying of this file is authorized only if either -%% -%% (1) you make absolutely no changes to your copy, including name and -%% directory name -%% (2) if you do make changes, -%% (a) you name it something other than the names included in the -%% ``xymtex'' directory and -%% (b) you acknowledge the original name. -%% This restriction ensures that all standard styles are identical. -%% -%% ======================================= -%% -%% This file contains several codes modified from latex.tex (LaTeX2.09) -%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -%% Copyright 1994 the LaTeX3 project and the individual authors (For further -%% copyright information see the file legal.txt of the LaTeX2e standard -%% distribution, and any other copyright indicated in this file.) -%% -%% File: fusering.dtx -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -\NeedsTeXFormat{pLaTeX2e} -\ProvidesFile{methylen.dtx}[1998/12/25 v2.00 XyMTeX{} package file] -\documentclass{ltxdoc} -\GetFileInfo{methylen.dtx} -\def\UPSILON{\char'7} -\def\XyM{X\kern-.30em\smash{% -\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}} -\def\XyMTeX{\XyM\kern-.1em\TeX} -\title{Fusing Ring Units by {\sffamily fusering.sty} -(\fileversion) of \XyMTeX{}} -\author{Shinsaku Fujita \\ -Department of Chemistry and Materials Technology, \\ -Kyoto Institute of Technology, \\ -Matsugasaki, Sakyoku, Kyoto, 606 Japan -} -\date{\filedate} -\begin{document} - \maketitle - \DocInput{fusering.dtx} -\end{document} -\endinput -%% -%% End of file `fusering.drv'. diff --git a/Master/texmf-dist/source/latex/xymtex/fusering.dtx b/Master/texmf-dist/source/latex/xymtex/fusering.dtx deleted file mode 100644 index a7b6695ad70..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/fusering.dtx +++ /dev/null @@ -1,4575 +0,0 @@ -% \iffalse meta-comment -%% File: fusering.dtx -% -% Copyright 1998 by Shinsaku Fujita -% -% This file is part of XyMTeX system. -% ------------------------------------- -% -% This file is a part of the macro package ``XyMTeX'' which has been -% designed for typesetting chemical structural formulas. -% -% This file is to be contained in the ``xymtex'' directory which is -% an input directory for TeX. It is a LaTeX optional style file and -% should be used only within LaTeX, because several macros of the file -% are based on LaTeX commands. -% -% For the review of XyMTeX, see -% (1) Shinsaku Fujita, ``Typesetting structural formulas with the text -% formatter TeX/LaTeX'', Computers and Chemistry, in press. -% The following book deals with an application of TeX/LaTeX to -% preparation of manuscripts of chemical fields: -% (2) Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' -% Tokyo Kagaku Dozin, Tokyo (1993) [in Japanese]. -% -% Copying of this file is authorized only if either -% (1) you make absolutely no changes to your copy, including name and -% directory name; or -% (2) if you do make changes, -% (a) you name it something other than the names included in the -% ``xymtex'' directory and -% (b) you are requested to leave this notice intact. -% This restriction ensures that all standard styles are identical. -% -% Please report any bugs, comments, suggestions, etc. to: -% Shinsaku Fujita, -% Department of Chemistry and Materials Technology, -% Kyoto Institute of Technology, \\ -% Matsugasaki, Sakyoku, Kyoto, 606 Japan -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% -% \fi -% -% \CheckSum{4211} -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -% -% \setcounter{StandardModuleDepth}{1} -% -% \StopEventually{} -% \MakeShortVerb{\|} -% -% \iffalse -% \changes{v2.00}{1998/12/25}{enhanced edition for LaTeX2e} -% \fi -% -% \iffalse -%<*driver> -\NeedsTeXFormat{pLaTeX2e} -% \fi -\ProvidesFile{methylen.dtx}[1998/12/25 v2.00 XyMTeX{} package file] -% \iffalse -\documentclass{ltxdoc} -\GetFileInfo{methylen.dtx} -% -% %%XyMTeX Logo: Definition 2%%% -\def\UPSILON{\char'7} -\def\XyM{X\kern-.30em\smash{% -\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}} -\def\XyMTeX{\XyM\kern-.1em\TeX} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\title{Fusing Ring Units by {\sffamily fusering.sty} -(\fileversion) of \XyMTeX{}} -\author{Shinsaku Fujita \\ -Department of Chemistry and Materials Technology, \\ -Kyoto Institute of Technology, \\ -Matsugasaki, Sakyoku, Kyoto, 606 Japan -} -\date{\filedate} -% -\begin{document} - \maketitle - \DocInput{fusering.dtx} -\end{document} -% -% \fi -% -% \section{Introduction}\label{methylen:intro} -% -% \subsection{Options for {\sffamily docstrip}} -% -% \DeleteShortVerb{\|} -% \begin{center} -% \begin{tabular}{|l|l|} -% \hline -% \emph{option} & \emph{function}\\ \hline -% fusering & fusering.sty \\ -% driver & driver for this dtx file \\ -% \hline -% \end{tabular} -% \end{center} -% \MakeShortVerb{\|} -% -% \subsection{Version Information} -% -% \begin{macrocode} -%<*fusering> -\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00} -\typeout{ -- Released December 25, 1998 by Shinsaku Fujita} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\def\j@urnalname{methylen} -\def\versi@ndate{December 25, 1998} -\def\versi@nno{ver2.00} -\def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>% -\space[\copyrighth@lder]} -% \end{macrocode} -% -% \section{List of commands for fusering.sty} -% -% \begin{verbatim} -% ********************************** -% * fusering.sty: list of commands * -% ********************************** -% -% -% \sixfusev \@sixfusev \sixfuseposv -% \sixfusevi \@sixfusevi \sixfuseposvi -% \sixfuseh \@sixfuseh \sixfuseposh -% \sixfusehi \@sixfusehi \sixfuseposhi -% -% -% \fivefusev \@fivefusev \fivefuseposv -% \fivefusevi \@fivefusevi \fivefuseposvi -% \fivefuseh \@fivefuseh \fivefuseposh -% \fivefusehi \@fivefusehi \fivefuseposhi -% -% -% \fourfuse \@fourfuse \fourfusepos -% -% -% \threefusev \@threefusev \threefuseposv -% \threefusevi \@threefusevi \threefuseposvi -% \threefuseh \@threefuseh \threefuseposh -% \threefusehi \@threefusehi \threefuseposhi - -% \end{verbatim} -% -% \section{Input of basic macros} -% -% To assure the compatibility to \LaTeX{}2.09 (the native mode), -% the commands added by \LaTeXe{} have not been used in the resulting sty -% files ({\sf polymers.sty} for the present case). Hence, the combination -% of |\input| and |\@ifundefined| is used to crossload sty -% files ({\sf chemstr.sty} etc. for the present case) in place of the -% |\RequirePackage| command of \LaTeXe{}. -% -% \begin{macrocode} -% ************************* -% * input of basic macros * -% ************************* -\@ifundefined{setsixringv}{\input chemstr.sty\relax}{} -\@ifundefined{bzdrv}{\input carom.sty\relax}{} -\@ifundefined{hbonde}{\input hetaromh.sty\relax}{} -\@ifundefined{bonde}{\input hetarom.sty\relax}{} -\unitlength=0.1pt -% \end{macrocode} -% -% \section{Six-Membered Fusing Units} -% \subsection{Vertical Type} -% -% The command |\sixfusev| produces a six-membered fusing unit -% of vertical type. The structure produced lacks a given bond -% in order to realize ring fusion, which produces a new ring system. -% The following numbering is adopted in this macro. -% Note that the difference between |\sixfusev| and |\sixuniv|, -% the latter of which is designed as an inner command for giving -% a building block with no adjustment of attached sites, while -% the former has a function of such adjustment. -% -% \begin{verbatim} -% ***************************** -% * six-membered fusing unit * -% * (vertical type) * -% ***************************** -% -% 1 -% f * a -% 6 * * 2 -% d | | b -% | | -% 5 * * 3 -% d * c -% 4 <===== the original point -% \end{verbatim} -% -% The macro |\sixfusev| has three arguments |ATOMLIST|, |SUBSLIST| -% and |FUSE| as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \sixfusev(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `f' and a uppercase -% character `A' or `B'. -% -% \begin{verbatim} -% SKBONDLIST = -% A: dotted bond for an alpha (down) bond -% B: boldfaced bond for a beta (upper) bond -% -% \end{verbatim} -% -% The |BONDLIST| argument contains one -% character selected from a to f, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `$n+$' ($n=1$ to $6$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST = -% -% none : fully saturated -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,6-double bond -% f : 6,1-double bond -% {n+} : plus at the n-nitrogen atom (n = 1 to 6) -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 6 atoms) -% -% for n = 1 to 6 -% -% n : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 6 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |FUSE| represents one bond to be omitted. -% The omitted edge is regarded as a fused position. -% -% \begin{verbatim} -% FUSE: one bond omitted (a, b, c, d, e, or f) -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges are regarded as non-fused positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a, b, c, d, e, or f) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \sixfusev{1==N}{1==Cl;2==F}{e} -% \end{verbatim} -% -% \changes{v2.00}{1998/12/25}{New command: \cs{sixfusev}} -% -% \begin{macro}{\if@skbondlist} -% \begin{macrocode} -%\newif\if@skbondlist -%\@skbondlistfalse -% \end{macrocode} -% \end{macro}% to hetarom.sty -% -% \begin{macro}{\sixfusev} -% \begin{macro}{\@six@fusev} -% \begin{macro}{\@six@@fusev} -% \begin{macro}{\@sixfusev} -% \begin{macrocode} -\def\sixfusev{\@ifnextchar({\@six@fusev(@}{\@six@fusev(@)}} -\def\@six@fusev(#1){\@ifnextchar[{\@six@@fusev(#1)[@}% -{\@six@@fusev(#1)[@]}} -\def\@six@@fusev(#1)[#2]#3#4#5{\@ifnextchar[% -{\@sixfusev(#1)[#2]{#3}{#4}{#5}[@}% -{\@sixfusev(#1)[#2]{#3}{#4}{#5}[@]}} -\def\@sixfusev(#1)[#2]#3#4#5[#6]{% -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniatom\iniflag%initialize% -\test@vertix@sixv{#3}{a}{b}{c}{d}{e}{f}% -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % adjustment of attached positions % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\sixfuseposv{#5}% -\if@sixfuseposv - \yl@shiftii=-\fuseAx - \yl@shifti=-\fuseAy - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(800,880)(-\shiftii,-\shifti)% - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `sixfusev' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -% changed FUSE into a list 1993/11/21 by Shinsaku Fujita -{% -\resetbdsw% -\@bond@fuse@omit{#5}{#6}% -\set@skel@bond{#1}{a}{a}% bond between 1 and 2 \@aaa -> \skbonda etc -\set@skel@bond{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc -\set@skel@bond{#1}{c}{c}% bond between 3 and 4 \@ccc -> \skbondc etc -\set@skel@bond{#1}{d}{d}% bond between 4 and 5 \@ddd -> \skbondd etc -\set@skel@bond{#1}{e}{e}% bond between 5 and 6 \@eee -> \skbonde etc -\set@skel@bond{#1}{f}{f}% bond between 6 and 1 \@fff -> \skbondf etc -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r\relax% -\else\if\member l\relax% -\else\if\member a\relax% - \bonda% -\else\if\member b\relax% - \bondb% -\else\if\member c\relax% - \bondc% -\else\if\member d\relax% - \bondd% -\else\if\member e\relax% - \bonde% -\else\if\member f\relax% - \bondf% -\else\if\member A%left aromatic circle - \put(0,203){\circle{240}}% %circle -% %%%%%%%%%%%%%%%%%%%%%%%%% -% % inner bond attachment % -% %%%%%%%%%%%%%%%%%%%%%%%%% -\else \expandafter\twoCH@@R\member//% - \set@fusionadd@sixv -\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\set@hetatom@sixv{#3}{0}{0}{7}{0}% %atom 1--6% -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\setsixringv{#4}{0}{0}{7}{0}% -\end{picture}% -\sixfuseposv{#5}%for FuseWaring when nested -\iniatom\iniflag}% %end of \sixfusev macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The macro |\sixfuseposv| is used in the definition of -% the |\sixfusev| macro to detect a fused edge, where -% the coordinates of a reference terminal (|\fuseAx| and |\fuseAy|) -% and of the other terminal of the edge (|\fuseBx| and |\fuseBy|) -% are given for the successive process of adjustment. -% -% \begin{macro}{\if@sixfuseposv} -% \begin{macro}{\sixfuseposv} -% \begin{macrocode} -\newif\if@sixfuseposv \@sixfuseposvfalse -\def\fuseAx{0} -\def\fuseAy{0} -\def\fuseBx{0} -\def\fuseBy{0} -\def\sixfuseposv#1{% -\global\@sixfuseposvfalse -{\resetbdsw% -\@tfor\memBer:=#1\do{% -\if\memBer a\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `a'}% - \else - \gdef\fuseAx{0}\gdef\fuseAy{406}% - \gdef\fuseBx{171}\gdef\fuseBy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer A\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `A'}% - \else - \gdef\fuseBx{0}\gdef\fuseBy{406}% - \gdef\fuseAx{171}\gdef\fuseAy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer b\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `b'}% - \else - \gdef\fuseAx{171}\gdef\fuseAy{303}% - \gdef\fuseBx{171}\gdef\fuseBy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer B\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `B'}% - \else - \gdef\fuseBx{171}\gdef\fuseBy{303}% - \gdef\fuseAx{171}\gdef\fuseAy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer c\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `c'}% - \else - \gdef\fuseAx{171}\gdef\fuseAy{103}% - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer C\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `C'}% - \else - \gdef\fuseBx{171}\gdef\fuseBy{103}% - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer d\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `d'}% - \else - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \gdef\fuseBx{-171}\gdef\fuseBy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer D\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `D'}% - \else - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \gdef\fuseAx{-171}\gdef\fuseAy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer e\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `e'}% - \else - \gdef\fuseAx{-171}\gdef\fuseAy{103}% - \gdef\fuseBx{-171}\gdef\fuseBy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer E\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `E'}% - \else - \gdef\fuseBx{-171}\gdef\fuseBy{103}% - \gdef\fuseAx{-171}\gdef\fuseAy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer f\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `f'}% - \else - \gdef\fuseAx{-171}\gdef\fuseAy{303}% - \gdef\fuseBx{0}\gdef\fuseBy{406}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer F\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `F'}% - \else - \gdef\fuseBx{-171}\gdef\fuseBy{303}% - \gdef\fuseAx{0}\gdef\fuseAy{406}% - \global\@sixfuseposvtrue - \fi -\fi}}}% end of the macro \sixfuseposv -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The macro |\@bond@fuse@omit| is used in |\sixfusev| etc. -% for detecting omitted bonds, where |\@aaa| etc. are empty if -% they are omitted. -% -% \begin{macro}{\@bond@fuse@omit} -% \begin{macrocode} -\def\@bond@fuse@omit#1#2{% -\ifx#1a\relax\gdef\@aaa{}\fi -\ifx#1b\relax\gdef\@bbb{}\fi -\ifx#1c\relax\gdef\@ccc{}\fi -\ifx#1d\relax\gdef\@ddd{}\fi -\ifx#1e\relax\gdef\@eee{}\fi -\ifx#1f\relax\gdef\@fff{}\fi -\ifx#1A\relax\gdef\@aaa{}\fi -\ifx#1B\relax\gdef\@bbb{}\fi -\ifx#1C\relax\gdef\@ccc{}\fi -\ifx#1D\relax\gdef\@ddd{}\fi -\ifx#1E\relax\gdef\@eee{}\fi -\ifx#1F\relax\gdef\@fff{}\fi -%%%% -\@tfor\memBer:=#2\do{% -\if\memBer a\relax\gdef\@aaa{}% - \ifx#1a\relax - \XyMTeXWarning{Double spec. of bond `a' in FUSE and OMIT}\fi -\fi% -\if\memBer A\relax\gdef\@aaa{}% - \ifx#1a\relax - \XyMTeXWarning{Double spec. of bond `a' in FUSE and OMIT}\fi -\fi% -\if\memBer b\relax\gdef\@bbb{}% - \ifx#1b\relax - \XyMTeXWarning{Double spec. of bond `b' in FUSE and OMIT}\fi -\fi% -\if\memBer B\relax\gdef\@bbb{}% - \ifx#1b\relax - \XyMTeXWarning{Double spec. of bond `b' in FUSE and OMIT}\fi -\fi% -\if\memBer c\relax\gdef\@ccc{}% - \ifx#1c\relax - \XyMTeXWarning{Double spec. of bond `c' in FUSE and OMIT}\fi -\fi% -\if\memBer C\relax\gdef\@ccc{}% - \ifx#1c\relax - \XyMTeXWarning{Double spec. of bond `c' in FUSE and OMIT}\fi -\fi% -\if\memBer d\relax\gdef\@ddd{}% - \ifx#1d\relax - \XyMTeXWarning{Double spec. of bond `d' in FUSE and OMIT}\fi -\fi% -\if\memBer D\relax\gdef\@ddd{}% - \ifx#1d\relax - \XyMTeXWarning{Double spec. of bond `d' in FUSE and OMIT}\fi -\fi% -\if\memBer e\relax\gdef\@eee{}% - \ifx#1e\relax - \XyMTeXWarning{Double spec. of bond `e' in FUSE and OMIT}\fi -\fi% -\if\memBer E\relax\gdef\@eee{}% - \ifx#1e\relax - \XyMTeXWarning{Double spec. of bond `e' in FUSE and OMIT}\fi -\fi% -\if\memBer f\relax\gdef\@fff{}% - \ifx#1f\relax - \XyMTeXWarning{Double spec. of bond `f' in FUSE and OMIT}\fi -\fi% -\if\memBer F\relax\gdef\@fff{}% - \ifx#1f\relax - \XyMTeXWarning{Double spec. of bond `f' in FUSE and OMIT}\fi -\fi% -}}% -% \end{macrocode} -% \end{macro} -% -% \subsection{Inverse Vertical Type} -% -% The command |\sixfusevi| produces a six-membered fusing unit -% of vertical type. The structure produced lacks a given bond -% in order to realize ring fusion, which produces a new ring system. -% The following numbering is adopted in this macro. -% Note that the difference between |\sixfusevi| and |\sixunivi|, -% the latter of which is designed as an inner command for giving -% a building block with no adjustment of attached sites, while -% the former has a function of such adjustment. -% -% \begin{verbatim} -% ***************************** -% * six-membered fusing unit * -% * (inverse vertical type) * -% ***************************** -% -% 4 -% d * c -% 5 * * 3 -% e | | b -% | | -% 6 * * 2 -% f * a -% 1 <===== the original point -% \end{verbatim} -% -% The macro |\sixfusevi| has three arguments |ATOMLIST|, |SUBSLIST| -% and |FUSE| as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \sixfusevi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `f' and a uppercase -% character `A' or `B'. -% -% \begin{verbatim} -% SKBONDLIST = -% A: dotted bond for an alpha (down) bond -% B: boldfaced bond for a beta (upper) bond -% \end{verbatim} -% -% The |BONDLIST| argument contains one -% character selected from a to f, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `$n+$' ($n=1$ to $6$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST = -% -% none : fully saturated -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,6-double bond -% f : 6,1-double bond -% {n+} : plus at the n-nitrogen atom (n = 1 to 6) -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 6 atoms) -% -% for n = 1 to 6 -% -% n : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 6 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |FUSE| represents one bond to be omitted. -% The omitted edge is regarded as a fused position. -% -% \begin{verbatim} -% FUSE: one bond omitted (a, b, c, d, e, or f) -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges are regarded as non-fused positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a, b, c, d, e, or f) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \sixfusevi{1==N}{1==Cl;2==F}{e} -% \end{verbatim} -% -% \changes{v2.00}{1998/12/25}{New command: \cs{sixfusevi}} -% -% \begin{macro}{\sixfusevi} -% \begin{macro}{\@six@fusevi} -% \begin{macro}{\@six@@fusevi} -% \begin{macro}{\@sixfusevi} -% \begin{macrocode} -\def\sixfusevi{\@ifnextchar({\@six@fusevi(@}{\@six@fusevi(@)}} -\def\@six@fusevi(#1){\@ifnextchar[{\@six@@fusevi(#1)[@}% -{\@six@@fusevi(#1)[@]}} -\def\@six@@fusevi(#1)[#2]#3#4#5{\@ifnextchar[% -{\@sixfusevi(#1)[#2]{#3}{#4}{#5}[@}% -{\@sixfusevi(#1)[#2]{#3}{#4}{#5}[@]}} -\def\@sixfusevi(#1)[#2]#3#4#5[#6]{% -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniatom\iniflag%initialize% -\test@vertix@sixv{#3}{d}{c}{b}{a}{f}{e}% -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % adjustment of attached positions % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\sixfuseposvi{#5}% -\if@sixfuseposv - \yl@shiftii=-\fuseAx - \yl@shifti=-\fuseAy - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(800,880)(-\shiftii,-\shifti)% - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `sixfusev' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -% changed FUSE into a list 1993/11/21 by Shinsaku Fujita -{\resetbdsw% -\@bond@fuse@omit{#5}{#6}% -\set@skel@bond{#1}{a}{c}% bond between 1 and 2 \@aaa -> \skbondc etc -\set@skel@bond{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc -\set@skel@bond{#1}{c}{a}% bond between 3 and 4 \@ccc -> \skbonda etc -\set@skel@bond{#1}{d}{f}% bond between 4 and 5 \@ddd -> \skbondf etc -\set@skel@bond{#1}{e}{e}% bond between 5 and 6 \@eee -> \skbonde etc -\set@skel@bond{#1}{f}{d}% bond between 6 and 1 \@fff -> \skbondd etc -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r\relax% -\else\if\member l\relax% -\else\if\member a\relax% - \bondc% -\else\if\member b\relax% - \bondb% -\else\if\member c\relax% - \bonda% -\else\if\member d\relax% - \bondf% -\else\if\member e\relax% - \bonde% -\else\if\member f\relax% - \bondd% -\else\if\member A%left aromatic circle - \put(0,203){\circle{240}}% %circle -% %%%%%%%%%%%%%%%%%%%%%%%%% -% % inner bond attachment % -% %%%%%%%%%%%%%%%%%%%%%%%%% -\else \expandafter\twoCH@@R\member//% - \set@fusionadd@sixvi -\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\set@hetatom@sixv{#3}{5}{0}{5}{-1}% %atom 1--4% -\set@hetatom@sixv{#3}{11}{4}{7}{-1}% %atom 5 and 6% -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\setsixringv{#4}{5}{0}{5}{-1}% %subst 1--4 -\setsixringv{#4}{11}{4}{7}{-1}% %subst 5 and 6 -\end{picture}% -\sixfuseposvi{#5}%%for FuseWaring when nested -\iniatom\iniflag}% %end of \sixfusevi macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The macro |\sixfuseposvi| is used in the definition of -% the |\sixfusevi| macro to detect a fused edge, where -% the coordinates of a reference terminal (|\fuseAx| and |\fuseAy|) -% and of the other terminal of the edge (|\fuseBx| and |\fuseBy|) -% are given for the successive process of adjustment. -% -% \begin{macro}{\sixfuseposvi} -% \begin{macrocode} -\def\sixfuseposvi#1{% -\global\@sixfuseposvfalse -{\resetbdsw% -\@tfor\memBer:=#1\do{% -\if\memBer c\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `c'}% - \else - \gdef\fuseBx{0}\gdef\fuseBy{406}% - \gdef\fuseAx{171}\gdef\fuseAy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer C\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `C'}% - \else - \gdef\fuseAx{0}\gdef\fuseAy{406}% - \gdef\fuseBx{171}\gdef\fuseBy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer b\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `b'}% - \else - \gdef\fuseBx{171}\gdef\fuseBy{303}% - \gdef\fuseAx{171}\gdef\fuseAy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer B\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `B'}% - \else - \gdef\fuseAx{171}\gdef\fuseAy{303}% - \gdef\fuseBx{171}\gdef\fuseBy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer a\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `a'}% - \else - \gdef\fuseBx{171}\gdef\fuseBy{103}% - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer A\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `A'}% - \else - \gdef\fuseAx{171}\gdef\fuseAy{103}% - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer f\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `f'}% - \else - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \gdef\fuseAx{-171}\gdef\fuseAy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer F\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `F'}% - \else - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \gdef\fuseBx{-171}\gdef\fuseBy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer e\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `e'}% - \else - \gdef\fuseBx{-171}\gdef\fuseBy{103}% - \gdef\fuseAx{-171}\gdef\fuseAy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer E\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `E'}% - \else - \gdef\fuseAx{-171}\gdef\fuseAy{103}% - \gdef\fuseBx{-171}\gdef\fuseBy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer d\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `d'}% - \else - \gdef\fuseBx{-171}\gdef\fuseBy{303}% - \gdef\fuseAx{0}\gdef\fuseAy{406}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer D\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `D'}% - \else - \gdef\fuseAx{-171}\gdef\fuseAy{303}% - \gdef\fuseBx{0}\gdef\fuseBy{406}% - \global\@sixfuseposvtrue - \fi -\fi% -}}}% end of the macro \sixfuseposvi -% \end{macrocode} -% \end{macro} -% -% \subsection{Normal Horizontal Type} -% -% The command |\sixfuseh| produces a six-membered fusing unit -% of horizontal type. The structure produced lacks a given bond -% in order to realize ring fusion, which produces a new ring system. -% The following numbering is adopted in this macro. -% Note that the difference between |\sixfuseh| and |\sixunih|, -% the latter of which is designed as an inner command for giving -% a building block with no adjustment of attached sites, while -% the former has a function of such adjustment. -% -% \begin{verbatim} -% ***************************** -% * six-membered fusing unit * -% * (horizontal type) * -% ***************************** -% b -% 2 3 -% a ----- c -% * * -% the original point ===> 1 * * 4 -% (0,0) * * d -% f ----- -% 6 5 -% e -% \end{verbatim} -% -% The macro |\sixfuseh| has three arguments |ATOMLIST|, |SUBSLIST| -% and |FUSE| as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \sixfuseh(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `f' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to f, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `$n+$' ($n=1$ to $6$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST = -% -% none : fully saturated -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,6-double bond -% f : 6,1-double bond -% {n+} : plus at the n-nitrogen atom (n = 1 to 6) -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 6 atoms) -% -% for n = 1 to 6 -% -% n : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 6 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |FUSE| represents one bond to be omitted. -% The omitted edge is regarded as a fused position. -% -% \begin{verbatim} -% FUSE: one bond omitted (a, b, c, d, e, or f) -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges are regarded as non-fused positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a, b, c, d, e, or f) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \sixfuseh{1==N}{1==Cl;2==F}{e} -% \end{verbatim} -% -% The definition of |\sixfuseh| uses a picture environment and -% consists of the same unit processes as shown in |\sixheteroh|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by using |\setsixringh|. -% \end{enumerate} -% \changes{v2.00}{1998/12/29}{New command: \cs{sixfuseh}} -% -% \begin{macro}{\sixfuseh} -% \begin{macro}{\@six@fuseh} -% \begin{macro}{\@six@@fuseh} -% \begin{macro}{\@sixfuseh} -% \begin{macrocode} -\def\sixfuseh{\@ifnextchar({\@six@fuseh(@}{\@six@fuseh(@)}} -\def\@six@fuseh(#1){\@ifnextchar[{\@six@@fuseh(#1)[@}% -{\@six@@fuseh(#1)[@]}} -\def\@six@@fuseh(#1)[#2]#3#4#5{\@ifnextchar[% -{\@sixfuseh(#1)[#2]{#3}{#4}{#5}[@}% -{\@sixfuseh(#1)[#2]{#3}{#4}{#5}[@]}} -\def\@sixfuseh(#1)[#2]#3#4#5[#6]{% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniatom\iniflag%initialize% -\test@vrtx@sixh{#3}% -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % adjustment of attached positions % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\sixfuseposh{#5}% -\if@sixfuseposv - \yl@shiftii=-\fuseAx - \yl@shifti=-\fuseAy - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(800,880)(-240,-400)% - \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `sixunith' origin: % - (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -% changed FUSE into a list 1993/11/21 by Shinsaku Fujita -{\resetbdsw% -\@bond@fuse@omit{#5}{#6}% -\set@skel@bondh{#1}{a}{a}% bond between 1 and 2 \@aaa -> \hskbonda etc -\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc -\set@skel@bondh{#1}{c}{c}% bond between 3 and 4 \@ccc -> \hskbondc etc -\set@skel@bondh{#1}{d}{d}% bond between 4 and 5 \@ddd -> \hskbondd etc -\set@skel@bondh{#1}{e}{e}% bond between 5 and 6 \@eee -> \hskbonde etc -\set@skel@bondh{#1}{f}{f}% bond between 6 and 1 \@fff -> \hskbondf etc -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r\relax% -\else \if\member l\relax% -\else \if\member a\relax% - \hbonda% -\else \if\member b\relax% - \hbondb% -\else \if\member c\relax% - \hbondc% -\else \if\member d\relax% - \hbondd% -\else \if\member e\relax% - \hbonde% -\else \if\member f\relax% - \hbondf% -\else \if\member A%left aromatic circle - \put(203,0){\circle{240}}% %circle -% %%%%%%%%%%%%%%%%%%%%%%%%% -% % inner bond attachment % -% %%%%%%%%%%%%%%%%%%%%%%%%% -\else \expandafter\twoCH@@R\member//% - \set@fusionadd@sixh -\fi\fi\fi\fi\fi\fi\fi\fi\fi}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\set@hetatom@sixh{#3}{0}{0}{7}{0}% %atom 1--6% -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\setsixringh{#4}{0}{0}{7}{0}% -\end{picture}% -\sixfuseposh{#5}%%for FuseWaring when nested -\iniatom\iniflag}% %end of \sixfuseh macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The macro |\sixfuseposh| is used in the definition of -% the |\sixfuseh| macro to detect a fused edge, where -% the coordinates of a reference terminal (|\fuseAx| and |\fuseAy|) -% and of the other terminal of the edge (|\fuseBx| and |\fuseBy|) -% are given for the successive process of adjustment. -% -% \begin{macro}{\sixfuseposh} -% \begin{macrocode} -\def\sixfuseposh#1{% -\global\@sixfuseposvfalse -{\resetbdsw% -\@tfor\memBer:=#1\do{% -\if\memBer a\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `a'}% - \else - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \gdef\fuseBx{103}\gdef\fuseBy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer A\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `A'}% - \else - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \gdef\fuseAx{103}\gdef\fuseAy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer b\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `b'}% - \else - \gdef\fuseAx{103}\gdef\fuseAy{171}% - \gdef\fuseBx{303}\gdef\fuseBy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer B\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `B'}% - \else - \gdef\fuseBx{103}\gdef\fuseBy{171}% - \gdef\fuseAx{303}\gdef\fuseAy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer c\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `c'}% - \else - \gdef\fuseAx{303}\gdef\fuseAy{171}% - \gdef\fuseBx{406}\gdef\fuseBy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer C\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `C'}% - \else - \gdef\fuseBx{303}\gdef\fuseBy{171}% - \gdef\fuseAx{406}\gdef\fuseAy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer d\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `d'}% - \else - \gdef\fuseAx{406}\gdef\fuseAy{0}% - \gdef\fuseBx{303}\gdef\fuseBy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer D\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `D'}% - \else - \gdef\fuseBx{406}\gdef\fuseBy{0}% - \gdef\fuseAx{303}\gdef\fuseAy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer e\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `e'}% - \else - \gdef\fuseAx{303}\gdef\fuseAy{-171}% - \gdef\fuseBx{103}\gdef\fuseBy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer E\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `E'}% - \else - \gdef\fuseBx{303}\gdef\fuseBy{-171}% - \gdef\fuseAx{103}\gdef\fuseAy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer f\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `f'}% - \else - \gdef\fuseAx{103}\gdef\fuseAy{-171}% - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer F\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `F'}% - \else - \gdef\fuseBx{103}\gdef\fuseBy{-171}% - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \global\@sixfuseposvtrue - \fi -\fi}}}% end of the macro \sixfuseposh -% \end{macrocode} -% \end{macro} -% -% \subsection{Inverse Horizontal Type} -% -% The command |\sixfusehi| produces a six-membered fusing unit -% of inverse horizontal type. The structure produced lacks a given bond -% in order to realize ring fusion, which produces a new ring system. -% The following numbering is adopted in this macro. -% -% \begin{verbatim} -% ***************************** -% * six-membered fusing unit * -% * (inverse horizontal type) * -% ***************************** -% b -% 3 2 -% c ----- a -% * * -% 4 * * 1 <== the original point (0,0) -% * * f -% d ----- -% 5 6 -% e -% \end{verbatim} -% -% The macro |\sixfusehi| has three arguments |ATOMLIST|, |SUBSLIST| -% and |FUSE| as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \sixfusehi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `f' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to f, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `$n+$' ($n=1$ to $6$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST = -% -% none : fully saturated -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,6-double bond -% f : 6,1-double bond -% {n+} : plus at the n-nitrogen atom (n = 1 to 6) -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 6 atoms) -% -% for n = 1 to 6 -% -% n : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 6 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |FUSE| represents one bond to be omitted. -% The omitted edge is regarded as a fused position. -% -% \begin{verbatim} -% FUSE: one bond omitted (a, b, c, d, e, or f) -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges are regarded as non-fused positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a, b, c, d, e, or f) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \sixfusehi{1==N}{1==Cl;2==F}{e} -% \end{verbatim} -% -% \changes{v2.00}{1998/12/29}{New command: \cs{sixfusehi}} -% -% \begin{macro}{\sixfusehi} -% \begin{macro}{\@six@fusehi} -% \begin{macro}{\@six@@fusehi} -% \begin{macro}{\@sixfusehi} -% \begin{macrocode} -\def\sixfusehi{\@ifnextchar({\@six@fusehi(@}{\@six@fusehi(@)}} -\def\@six@fusehi(#1){\@ifnextchar[{\@six@@fusehi(#1)[@}% -{\@six@@fusehi(#1)[@]}} -\def\@six@@fusehi(#1)[#2]#3#4#5{\@ifnextchar[% -{\@sixfusehi(#1)[#2]{#3}{#4}{#5}[@}% -{\@sixfusehi(#1)[#2]{#3}{#4}{#5}[@]}} -\def\@sixfusehi(#1)[#2]#3#4#5[#6]{% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniatom\iniflag%initialize% -\test@vrtx@sixhi{#3}% -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % adjustment of attached positions % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\sixfuseposhi{#5}% -\if@sixfuseposv - \yl@shiftii=-\fuseAx - \yl@shifti=-\fuseAy - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(800,880)(-240,-400)% - \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `sixunith' origin: % - (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -% changed FUSE into a list 1993/11/21 by Shinsaku Fujita -{\resetbdsw% -\@bond@fuse@omit{#5}{#6}% -\set@skel@bondh{#1}{a}{c}% bond between 1 and 2 \@aaa -> \hskbondc etc -\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc -\set@skel@bondh{#1}{c}{a}% bond between 3 and 4 \@ccc -> \hskbonda etc -\set@skel@bondh{#1}{d}{f}% bond between 4 and 5 \@ddd -> \hskbondf etc -\set@skel@bondh{#1}{e}{e}% bond between 5 and 6 \@eee -> \hskbonde etc -\set@skel@bondh{#1}{f}{d}% bond between 6 and 1 \@fff -> \hskbondd etc -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r\relax% -\else \if\member l\relax% -\else \if\member a\relax% - \hbondc% -\else \if\member b\relax% - \hbondb% -\else \if\member c\relax% - \hbonda% -\else \if\member d\relax% - \hbondf% -\else \if\member e\relax% - \hbonde% -\else \if\member f\relax% - \hbondd% -\else \if\member A%left aromatic circle - \put(203,0){\circle{240}}% %circle -% %%%%%%%%%%%%%%%%%%%%%%%%% -% % inner bond attachment % -% %%%%%%%%%%%%%%%%%%%%%%%%% -\else \expandafter\twoCH@@R\member//% - \set@fusionadd@sixhi -\fi\fi\fi\fi\fi\fi\fi\fi\fi}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\set@hetatom@sixh{#3}{5}{0}{5}{-1}% %subst 1--4 -\set@hetatom@sixh{#3}{11}{4}{7}{-1}% %subst 5 and 6 -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\setsixringh{#4}{5}{0}{5}{-1}% %subst 1--4 -\setsixringh{#4}{11}{4}{7}{-1}% %subst 5 and 6 -\end{picture}% -\sixfuseposhi{#5}%%for FuseWaring when nested -\iniatom\iniflag}% %end of \sixfusehi macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The macro |\sixfuseposhi| is used in the definition of -% the |\sixfusehi| macro to detect a fused edge, where -% the coordinates of a reference terminal (|\fuseAx| and |\fuseAy|) -% and of the other terminal of the edge (|\fuseBx| and |\fuseBy|) -% are given for the successive process of adjustment. -% -% \begin{macro}{\sixfuseposhi} -% \begin{macrocode} -\def\sixfuseposhi#1{% -\global\@sixfuseposvfalse -{\resetbdsw% -\@tfor\memBer:=#1\do{% -\if\memBer C\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `C'}% - \else - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \gdef\fuseBx{103}\gdef\fuseBy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer c\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `c'}% - \else - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \gdef\fuseAx{103}\gdef\fuseAy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer B\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `B'}% - \else - \gdef\fuseAx{103}\gdef\fuseAy{171}% - \gdef\fuseBx{303}\gdef\fuseBy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer b\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `b'}% - \else - \gdef\fuseBx{103}\gdef\fuseBy{171}% - \gdef\fuseAx{303}\gdef\fuseAy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer A\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `A'}% - \else - \gdef\fuseAx{303}\gdef\fuseAy{171}% - \gdef\fuseBx{406}\gdef\fuseBy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer a\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `a'}% - \else - \gdef\fuseBx{303}\gdef\fuseBy{171}% - \gdef\fuseAx{406}\gdef\fuseAy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer F\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `F'}% - \else - \gdef\fuseAx{406}\gdef\fuseAy{0}% - \gdef\fuseBx{303}\gdef\fuseBy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer f\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `f'}% - \else - \gdef\fuseBx{406}\gdef\fuseBy{0}% - \gdef\fuseAx{303}\gdef\fuseAy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer E\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `E'}% - \else - \gdef\fuseAx{303}\gdef\fuseAy{-171}% - \gdef\fuseBx{103}\gdef\fuseBy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer e\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `e'}% - \else - \gdef\fuseBx{303}\gdef\fuseBy{-171}% - \gdef\fuseAx{103}\gdef\fuseAy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer D\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `D'}% - \else - \gdef\fuseAx{103}\gdef\fuseAy{-171}% - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer d\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `d'}% - \else - \gdef\fuseBx{103}\gdef\fuseBy{-171}% - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \global\@sixfuseposvtrue - \fi -\fi}}}% end of the macro \sixfuseposhi -% \end{macrocode} -% \end{macro} -% -% \section{Five-membered fused ring unit} -% \subsection{Vertical type} -% -% The macro |\fivefusev| is a five-membered fragment that can be -% fused to another -% ring structure to produce a new ring system. The following -% numbering is adopted in this macro. -% -% \begin{verbatim} -% ********************** -% * five-membered fused* -% * (vertical type) * -% ********************** -% -% 4 _______ 3 -% | | -% | | -% 5 * * 2 -% * -% 1 <===== the original point -% \end{verbatim} -% -% The macro |\fivefusev| has three arguments |ATOMLIST|, |SUBSLIST| -% and |FUSE| as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \fivefusev(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `f' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to e, each of -% which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of inner double bonds -% -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,1-double bond -% {n+} : plus at the n-nitrogen atom (n = 1 to 5) -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 5 atoms) -% -% for n = 1 to 5 -% -% n : Hetero atom, e.g. N, O, etc. at n-position -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 5 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |FUSE| represents one bond to be omitted for fusion. -% The omitted edge is regarded as a fused position. -% -% \begin{verbatim} -% FUSE: one bond omitted (a, b, c, d, or e) -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges are regarded as non-fused positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a, b, c, d, or e) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \fivefusev{1==N}{1==H;2==F}{a} -% \end{verbatim} -% -% \begin{macro}{\fivefusev} -% \begin{macro}{\@five@fusev} -% \begin{macro}{\@five@@fusev} -% \begin{macro}{\@fivefusev} -% \begin{macrocode} -\def\fivefusev{\@ifnextchar({\@five@fusev(@}{\@five@fusev(@)}} -\def\@five@fusev(#1){\@ifnextchar[{\@five@@fusev(#1)[@}% -{\@five@@fusev(#1)[@]}} -\def\@five@@fusev(#1)[#2]#3#4#5{\@ifnextchar[% -{\@fivefusev(#1)[#2]{#3}{#4}{#5}[@}% -{\@fivefusev(#1)[#2]{#3}{#4}{#5}[@]}} -\def\@fivefusev(#1)[#2]#3#4#5[#6]{% -\iniatom\iniflag%initialize -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\test@vertix@sixv{#3}{d}{c}{b}{f}{e}{@}% -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % adjustment of attached positions % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\fivefuseposv{#5}% -\if@sixfuseposv - \yl@shiftii=-\fuseAx - \yl@shifti=-\fuseAy - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(800,880)(-\shiftii,-\shifti)% - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `fivefusev' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%% -% %% outer skeleton % -% %%%%%%%%%%%%%%%%%%% -% changed FUSE to a list 1993/11/21 by Shinsaku Fujita -{\resetbdsw% -\@bond@fuse@omit{#5}{#6}% -\set@skel@bond{#1}{a}{c}% bond between 1 and 2 \@aaa -> \skbondc etc -\set@skel@bond{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc -\set@skel@longbond{#1}{c}{skbondhoriz}% - % bond between 3 and 4 \@ccc -> \skbondhoriz etc -\set@skel@bond{#1}{d}{e}% bond between 4 and 5 \@ddd -> \skbonde etc -\set@skel@bond{#1}{e}{d}% bond between 5 and 1 \@eee -> \skbondd etc -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%% -% %% inner double bond % -% %%%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r% -\else\if\member a\relax% - \bondc% -\else\if\member b\relax% - \bondb% -\else\if\member c\relax% - \bondhoriz% -\else\if\member d\relax% - \bonde% -\else\if\member e\relax% - \bondd% -\else -% %%%%%%%%%%%%%%%%%%%%%%%%% -% % inner bond attachment % -% %%%%%%%%%%%%%%%%%%%%%%%%% - \expandafter\twoCH@@R\member//% - \set@fusionadd@fivev -\fi\fi\fi\fi\fi\fi}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%% -% % setting heteroatoms % -% %%%%%%%%%%%%%%%%%%%%%%% -\set@hetatom@sixv{#3}{5}{1}{5}{-1}% % for 1 to 3 -\set@hetatom@sixv{#3}{10}{4}{7}{-1}% % for 4 to 5 -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\setsixringv{#4}{5}{1}{5}{-1}% % for 1 to 3 -\setsixringv{#4}{10}{4}{7}{-1}% % for 4 to 5 -\end{picture}% -{\let\XyMTeXWarning\@gobble -\fivefuseposv{#5}}%%for FuseWaring when nested -\iniatom\iniflag}%end of \fivefusev macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The macro |\fivefuseposv| is used in the definition of -% the |\fivefusev| macro to detect a fused edge, where -% the coordinates of a reference terminal (|\fuseAx| and |\fuseAy|) -% and of the other terminal of the edge (|\fuseBx| and |\fuseBy|) -% are given for the successive process of adjustment. -% -% \begin{macro}{\fivefuseposv} -% \begin{macrocode} -\def\fivefuseposv#1{% -\global\@sixfuseposvfalse -{\resetbdsw% -\@tfor\memBer:=#1\do{% -\if\memBer c\relax - \XyMTeXWarning{Not-used fusion at bond `c'}% -\fi -\if\memBer C\relax - \XyMTeXWarning{Not-used fusion at bond `C'}% -\fi -\if\memBer b\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `b'}% - \else - \gdef\fuseBx{171}\gdef\fuseBy{303}% - \gdef\fuseAx{171}\gdef\fuseAy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer B\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `B'}% - \else - \gdef\fuseAx{171}\gdef\fuseAy{303}% - \gdef\fuseBx{171}\gdef\fuseBy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer a\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `a'}% - \else - \gdef\fuseBx{171}\gdef\fuseBy{103}% - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer A\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `A'}% - \else - \gdef\fuseAx{171}\gdef\fuseAy{103}% - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer e\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `f'}% - \else - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \gdef\fuseAx{-171}\gdef\fuseAy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer E\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `F'}% - \else - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \gdef\fuseBx{-171}\gdef\fuseBy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer d\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `e'}% - \else - \gdef\fuseBx{-171}\gdef\fuseBy{103}% - \gdef\fuseAx{-171}\gdef\fuseAy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer D\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `E'}% - \else - \gdef\fuseAx{-171}\gdef\fuseAy{103}% - \gdef\fuseBx{-171}\gdef\fuseBy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -}}}% end of the macro \fivefuseposv -% \end{macrocode} -% \end{macro} -% -% \subsection{Inverse vertical type} -% -% The macro |\fivefusevi| typesets a five-membered fragment that can be -% fused to another -% ring structure to produce a new ring system. The following -% numbering is adopted in this macro. -% -% \begin{verbatim} -% ************************************ -% * five-membered fusing unit * -% * (vertical type, inverse type) * -% ************************************ -% -% 1 -% * -% 6 * * 2 -% | | -% |_____| -% 4 3 -% * -% (0,0) <===== the original point -% \end{verbatim} -% -% The macro |\fivefusevi| has three arguments |ATOMLIST|, |SUBSLIST| -% and |FUSE| as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \fivefusevi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `f' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to e, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of inner double bonds -% -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,1-double bond -% {n+} : plus at the n-nitrogen atom (n = 1 to 5) -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 5 atoms) -% -% for n = 1 to 5 -% -% n : Hetero atom, e.g. N, O, etc. at n-position -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 5 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |FUSE| represents one bond to be omitted. -% The omitted edge is regarded as a fused position. -% -% \begin{verbatim} -% FUSE: one bond omitted (a, b, c, d, or e) -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges are regarded as non-fused positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a, b, c, d, or e) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \fivefusevi{1==N}{1==H;2==F}{a} -% \end{verbatim} -% -% \begin{macro}{\fivefusevi} -% \begin{macro}{\@five@fusevi} -% \begin{macro}{\@five@@fusevi} -% \begin{macro}{\@fivefusevi} -% \begin{macrocode} -\def\fivefusevi{\@ifnextchar({\@five@fusevi(@}{\@five@fusevi(@)}} -\def\@five@fusevi(#1){\@ifnextchar[{\@five@@fusevi(#1)[@}% -{\@five@@fusevi(#1)[@]}} -\def\@five@@fusevi(#1)[#2]#3#4#5{\@ifnextchar[% -{\@fivefusevi(#1)[#2]{#3}{#4}{#5}[@}% -{\@fivefusevi(#1)[#2]{#3}{#4}{#5}[@]}} -\def\@fivefusevi(#1)[#2]#3#4#5[#6]{% -\iniatom\iniflag%initialize -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\test@vertix@sixv{#3}{a}{b}{c}{e}{f}{@}% -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % adjustment of attached positions % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\fivefuseposvi{#5}% -\if@sixfuseposv - \yl@shiftii=-\fuseAx - \yl@shifti=-\fuseAy - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(800,880)(-\shiftii,-\shifti)% - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `fivefusevi' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -% changed FUSE to a list 1993/11/21 by Shinsaku Fujita -{\resetbdsw% -\@bond@fuse@omit{#5}{#6}% -\set@skel@bond{#1}{a}{a}% bond between 1 and 2 \@aaa -> \skbonda etc -\set@skel@bond{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc -\set@skel@longbond{#1}{c}{skbondhorizi}% - % bond between 3 and 4 \@ccc -> \skbondhorizi etc -\set@skel@bond{#1}{d}{e}% bond between 4 and 5 \@ddd -> \skbonde etc -\set@skel@bond{#1}{e}{f}% bond between 5 and 6 \@eee -> \skbondf etc -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r% -\else\if\member a\relax% - \bonda% -\else\if\member b\relax% - \bondb% -\else\if\member c\relax% - \bondhorizi% -\else\if\member d\relax% - \bonde% -\else\if\member e\relax% - \bondf% -\else -% %%%%%%%%%%%%%%%%%%%%%%%%% -% % inner bond attachment % -% %%%%%%%%%%%%%%%%%%%%%%%%% - \expandafter\twoCH@@R\member//% - \set@fusionadd@fivevi -\fi\fi\fi\fi\fi\fi}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%% -% % setting heteroatoms % -% %%%%%%%%%%%%%%%%%%%%%%% -\set@hetatom@sixv{#3}{0}{0}{4}{0}% % for 1 to 3 -\set@hetatom@sixv{#3}{1}{4}{7}{0}% % for 4 to 5 -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\setsixringv{#4}{0}{0}{4}{0}% % for 1 to 3 -\setsixringv{#4}{1}{4}{7}{0}% % for 4 to 5 -\end{picture}% -{\let\XyMTeXWarning\@gobble -\fivefuseposvi{#5}}%%for FuseWaring when nested -\iniatom\iniflag}% %end of \fivefusevi macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The macro |\fivefuseposvi| is used in the definition of -% the |\fivefusev| macro to detect a fused edge, where -% the coordinates of a reference terminal (|\fuseAx| and |\fuseAy|) -% and of the other terminal of the edge (|\fuseBx| and |\fuseBy|) -% are given for the successive process of adjustment. -% -% \begin{macro}{\fivefuseposvi} -% \begin{macrocode} -\def\fivefuseposvi#1{% -\global\@sixfuseposvfalse -{\resetbdsw% -\@tfor\memBer:=#1\do{% -\if\memBer a\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `a'}% - \else - \gdef\fuseAx{0}\gdef\fuseAy{406}% - \gdef\fuseBx{171}\gdef\fuseBy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer A\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `A'}% - \else - \gdef\fuseBx{0}\gdef\fuseBy{406}% - \gdef\fuseAx{171}\gdef\fuseAy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer b\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `b'}% - \else - \gdef\fuseAx{171}\gdef\fuseAy{303}% - \gdef\fuseBx{171}\gdef\fuseBy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer B\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `B'}% - \else - \gdef\fuseBx{171}\gdef\fuseBy{303}% - \gdef\fuseAx{171}\gdef\fuseAy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer c\relax - \XyMTeXWarning{Not-used fusion at bond `c'}% -\fi -\if\memBer C\relax - \XyMTeXWarning{Not-used fusion at bond `C'}% -\fi -\if\memBer d\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `d'}% - \else - \gdef\fuseAx{-171}\gdef\fuseAy{103}% - \gdef\fuseBx{-171}\gdef\fuseBy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer D\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `D'}% - \else - \gdef\fuseBx{-171}\gdef\fuseBy{103}% - \gdef\fuseAx{-171}\gdef\fuseAy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer e\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `e'}% - \else - \gdef\fuseAx{-171}\gdef\fuseAy{303}% - \gdef\fuseBx{0}\gdef\fuseBy{406}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer E\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `e'}% - \else - \gdef\fuseBx{-171}\gdef\fuseBy{303}% - \gdef\fuseAx{0}\gdef\fuseAy{406}% - \global\@sixfuseposvtrue - \fi -\fi}}}% end of the macro \fivefuseposvi -% \end{macrocode} -% \end{macro} -% -% \subsection{Horizonatl type} -% -% The macro |\fivefuseh| is a five-membered fragment that can be -% fused to another -% ring structure to produce a new ring system. The following -% numbering is adopted in this macro. -% -% \begin{verbatim} -% ********************** -% * five-membered unit * -% * (horizontal type) * -% ********************** -% -% 3 _____ 2 -% | * -% | * 1 <===== the original point -% | * -% 4 ----- 5 -% \end{verbatim} -% -% The macro |\fivefuseh| has three arguments |ATOMLIST|, |SUBSLIST| -% and |FUSE| as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \fivefuseh(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `f' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to e, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of inner double bonds -% -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,1-double bond -% A : aromatic circle -% {n+} : plus at the n-nitrogen atom (n = 1 to 5) -% {0+} : plus (or others) at the center -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 5 atoms) -% -% for n = 1 to 5 -% -% n : Hetero atom, e.g. N, O, etc. at n-position -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 5 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |FUSE| represents one bond to be omitted. -% The omitted edge is regarded as a fused position. -% -% \begin{verbatim} -% FUSE: one bond omitted (a, b, c, d, or e) -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges are regarded as non-fused positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a, b, c, d, or e) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \fivefuseh{1==N}{1==H;2==F}{a} -% \end{verbatim} -% -% \begin{macro}{\fivefuseh} -% \begin{macro}{\@five@fuseh} -% \begin{macro}{\@five@@fuseh} -% \begin{macro}{\@fivefuseh} -% \begin{macrocode} -\def\fivefuseh{\@ifnextchar({\@five@fuseh(@}{\@five@fuseh(@)}} -\def\@five@fuseh(#1){\@ifnextchar[{\@five@@fuseh(#1)[@}% -{\@five@@fuseh(#1)[@]}} -\def\@five@@fuseh(#1)[#2]#3#4#5{\@ifnextchar[% -{\@fivefuseh(#1)[#2]{#3}{#4}{#5}[@}% -{\@fivefuseh(#1)[#2]{#3}{#4}{#5}[@]}} -\def\@fivefuseh(#1)[#2]#3#4#5[#6]{% -\iniatom\iniflag%initialize -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\test@vertix@sixv{#3}{d}{c}{b}{f}{e}{@}% -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % adjustment of attached positions % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\fivefuseposh{#5}% -\if@sixfuseposv - \yl@shiftii=-\fuseAx - \yl@shifti=-\fuseAy - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(800,880)(-240,-400)% - \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `fivefuseh' origin: % - (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -% changed FUSE to a list 1993/11/21 by Shinsaku Fujita -{\resetbdsw% -\@bond@fuse@omit{#5}{#6}% -\set@skel@bondh{#1}{a}{c}% bond between 1 and 2 \@aaa -> \skbondc etc -\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc -\set@skel@longbond{#1}{c}{hskbondvert}% - % bond between 3 and 4 \@ccc -> \hskbondvert etc -\set@skel@bondh{#1}{d}{e}% bond between 4 and 5 \@ddd -> \skbonde etc -\set@skel@bondh{#1}{e}{d}% bond between 5 and 6 \@eee -> \skbondd etc -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r% -\else \if\member a\relax% - \hbondc% -\else \if\member b\relax% - \hbondb% -\else \if\member c\relax% - \hbondvert% -\else \if\member d\relax% - \hbonde% -\else \if\member e\relax% - \hbondd% -\else \if\member A%left aromatic circle - \put(233,0){\circle{180}}% %circle -\else -% %%%%%%%%%%%%%%%%%%%%%%%%% -% % inner bond attachment % -% %%%%%%%%%%%%%%%%%%%%%%%%% - \expandafter\twoCH@@R\member//% - \set@fusionadd@fiveh -\fi\fi\fi\fi\fi\fi\fi}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%% -% % setting heteroatoms % -% %%%%%%%%%%%%%%%%%%%%%%% -\set@hetatom@sixh{#3}{5}{1}{5}{-1}% % for 1 to 3 -\set@hetatom@sixh{#3}{10}{4}{7}{-1}% % for 4 to 5 -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\setsixringh{#4}{5}{1}{5}{-1}% % for 1 to 3 -\setsixringh{#4}{10}{4}{7}{-1}% % for 4 to 5 -\end{picture}% -{\let\XyMTeXWarning\@gobble -\fivefuseposh{#5}}%for FuseWaring when nested% -\iniatom\iniflag}% %end of \fivefuseh macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The macro |\fivefuseposh| is used in the definition of -% the |\sixfusehi| macro to detect a fused edge, where -% the coordinates of a reference terminal (|\fuseAx| and |\fuseAy|) -% and of the other terminal of the edge (|\fuseBx| and |\fuseBy|) -% are given for the successive process of adjustment. -% -% \begin{macro}{\fivefuseposh} -% \begin{macrocode} -\def\fivefuseposh#1{% -\global\@sixfuseposvfalse -{\resetbdsw% -\@tfor\memBer:=#1\do{% -\if\memBer c\relax - \XyMTeXWarning{Not-used fusion at bond `c'}% -\fi -\if\memBer C\relax - \XyMTeXWarning{Not-used fusion at bond `C'}% -\fi -\if\memBer B\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `B'}% - \else - \gdef\fuseAx{103}\gdef\fuseAy{171}% - \gdef\fuseBx{303}\gdef\fuseBy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer b\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `b'}% - \else - \gdef\fuseBx{103}\gdef\fuseBy{171}% - \gdef\fuseAx{303}\gdef\fuseAy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer A\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `A'}% - \else - \gdef\fuseAx{303}\gdef\fuseAy{171}% - \gdef\fuseBx{406}\gdef\fuseBy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer a\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `a'}% - \else - \gdef\fuseBx{303}\gdef\fuseBy{171}% - \gdef\fuseAx{406}\gdef\fuseAy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer E\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `E'}% - \else - \gdef\fuseAx{406}\gdef\fuseAy{0}% - \gdef\fuseBx{303}\gdef\fuseBy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer e\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `e'}% - \else - \gdef\fuseBx{406}\gdef\fuseBy{0}% - \gdef\fuseAx{303}\gdef\fuseAy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer D\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `D'}% - \else - \gdef\fuseAx{303}\gdef\fuseAy{-171}% - \gdef\fuseBx{103}\gdef\fuseBy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer d\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `d'}% - \else - \gdef\fuseBx{303}\gdef\fuseBy{-171}% - \gdef\fuseAx{103}\gdef\fuseAy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -}}}% end of the macro \fivefuseposh -% \end{macrocode} -% \end{macro} -% -% \subsection{Inverse horizontal type} -% -% The macro |\fivefusehi| typesets a five-membered fragment that can be -% fused to another -% ring structure to produce a new ring system. The following -% numbering is adopted in this macro. -% -% \begin{verbatim} -% ************************************ -% * five-membered fusing unit * -% * (horizontal type, inverse type) * -% ************************************ -% -% 2 ----- 3 -% * | -% the original point 1 * | -% * | -% _____| -% 5 4 -% \end{verbatim} -% -% The macro |\fivefusehi| has three arguments |ATOMLIST|, |SUBSLIST| -% and |FUSE| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \fivefusehi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `f' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to e, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of inner double bonds -% -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,1-double bond -% A : aromatic circle -% {n+} : plus at the n-nitrogen atom (n = 1 to 5) -% {0+} : plus (or others) at the center -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 5 atoms) -% -% for n = 1 to 5 -% -% n : Hetero atom, e.g. N, O, etc. at n-position -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 5 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |FUSE| represents one bond to be omitted. -% The omitted edge is regarded as a fused position. -% -% \begin{verbatim} -% FUSE: one bond omitted (a, b, c, d, or e) -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges are regarded as non-fused positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a, b, c, d, e, or f) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \fivefusehi{1==N}{1==H;2==F}{a} -% \end{verbatim} -% -% \begin{macro}{\fivefusehi} -% \begin{macro}{\@five@fusehi} -% \begin{macro}{\@five@@fusehi} -% \begin{macro}{\@fivefusehi} -% \begin{macrocode} -\def\fivefusehi{\@ifnextchar({\@five@fusehi(@}{\@five@fusehi(@)}} -\def\@five@fusehi(#1){\@ifnextchar[{\@five@@fusehi(#1)[@}% -{\@five@@fusehi(#1)[@]}} -\def\@five@@fusehi(#1)[#2]#3#4#5{\@ifnextchar[% -{\@fivefusehi(#1)[#2]{#3}{#4}{#5}[@}% -{\@fivefusehi(#1)[#2]{#3}{#4}{#5}[@]}} -\def\@fivefusehi(#1)[#2]#3#4#5[#6]{% -\iniatom\iniflag%initialize -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\test@vertix@sixv{#3}{a}{b}{c}{e}{f}{@}% -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % adjustment of attached positions % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\fivefuseposhi{#5}% -\if@sixfuseposv - \yl@shiftii=-\fuseAx - \yl@shifti=-\fuseAy - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(800,880)(-240,-400)% - \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `fivefusehi' origin: % - (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -% changed FUSE to a list 1993/11/21 by Shinsaku Fujita -{\resetbdsw% -\@bond@fuse@omit{#5}{#6}% -\set@skel@bondh{#1}{a}{a}% bond between 1 and 2 \@aaa -> \hskbonda etc -\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc -\set@skel@longbond{#1}{c}{hskbondverti}% - % bond between 3 and 4 \@ccc -> \hskbondverti etc -\set@skel@bondh{#1}{d}{e}% bond between 4 and 5 \@ddd -> \hskbonde etc -\set@skel@bondh{#1}{e}{f}% bond between 5 and 6 \@eee -> \hskbondf etc -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r% -\else \if\member a\relax% - \hbonda% -\else \if\member b\relax% - \hbondb% -\else \if\member c\relax% - \hbondverti% -\else \if\member d\relax% - \hbonde% -\else \if\member e\relax% - \hbondf% -\else \if\member A%left aromatic circle - \put(173,0){\circle{180}}% %circle -\else -% %%%%%%%%%%%%%%%%%%%%%%%%% -% % inner bond attachment % -% %%%%%%%%%%%%%%%%%%%%%%%%% - \expandafter\twoCH@@R\member//% - \set@fusionadd@fivehi -\fi\fi\fi\fi\fi\fi\fi}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%% -% % setting heteroatoms % -% %%%%%%%%%%%%%%%%%%%%%%% -\set@hetatom@sixh{#3}{0}{0}{4}{0}% % for 1 to 3 -\set@hetatom@sixh{#3}{1}{4}{7}{0}% % for 4 to 5 -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\setsixringh{#4}{0}{0}{4}{0}% % for 1 to 3 -\setsixringh{#4}{1}{4}{7}{0}% % for 4 to 5 -\end{picture}% -{\let\XyMTeXWarning\@gobble -\fivefuseposhi{#5}}%for FuseWaring when nested -\iniatom\iniflag}% %end of \fivefusehi macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The macro |\fivefuseposhi| is used in the definition of -% the |\sixfuseh| macro to detect a fused edge, where -% the coordinates of a reference terminal (|\fuseAx| and |\fuseAy|) -% and of the other terminal of the edge (|\fuseBx| and |\fuseBy|) -% are given for the successive process of adjustment. -% -% \begin{macro}{\fivefuseposhi} -% \begin{macrocode} -\def\fivefuseposhi#1{% -\global\@sixfuseposvfalse -{\resetbdsw% -\@tfor\memBer:=#1\do{% -\if\memBer a\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `a'}% - \else - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \gdef\fuseBx{103}\gdef\fuseBy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer A\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `A'}% - \else - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \gdef\fuseAx{103}\gdef\fuseAy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer b\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `b'}% - \else - \gdef\fuseAx{103}\gdef\fuseAy{171}% - \gdef\fuseBx{303}\gdef\fuseBy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer B\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `B'}% - \else - \gdef\fuseBx{103}\gdef\fuseBy{171}% - \gdef\fuseAx{303}\gdef\fuseAy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer c\relax - \XyMTeXWarning{Not-used fusion at bond `c'}% -\fi -\if\memBer C\relax - \XyMTeXWarning{Not-used fusion at bond `C'}% -\fi -\if\memBer d\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `d'}% - \else - \gdef\fuseAx{303}\gdef\fuseAy{-171}% - \gdef\fuseBx{103}\gdef\fuseBy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer D\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `D'}% - \else - \gdef\fuseBx{303}\gdef\fuseBy{-171}% - \gdef\fuseAx{103}\gdef\fuseAy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer e\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `e'}% - \else - \gdef\fuseAx{103}\gdef\fuseAy{-171}% - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer E\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `E'}% - \else - \gdef\fuseBx{103}\gdef\fuseBy{-171}% - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \global\@sixfuseposvtrue - \fi -\fi}}}% end of the macro \fivefuseposhi -% \end{macrocode} -% \end{macro} -% -% \section{Four-membered fused ring unit} -% -% The macro |\fourfuse| typesets a four-membered ring unit for ring fusion. -% The following numbering is adopted in this macro. -% -% \begin{verbatim} -% ************************** -% * fourfuse derivatives * -% * (vertical type) * -% ************************** -% The following numbering is adopted in this macro. -% -% c -% 4 _____ 3 -% d | | b -% | | -% 1 ----- 2<===== the original point -% a -% \end{verbatim} -% -% The macro |\fourfuse| has two arguments |ATOMLIST|, |SUBSLIST| and |FUSE| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \fourfuse(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `f' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to e, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `$n+$' ($n=1$ to $4$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of inner double bonds -% -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% e : 4,1-double bond -% -% {n+} : plus at the n-nitrogen atom (n = 1 to 4) -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 4 atoms) -% -% for n = 1 to 4 -% -% n : Hetero atom, e.g. N, O, etc. at n-position -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 4 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |FUSE| represents one bond to be omitted. -% The omitted edge is regarded as a fused position. -% -% \begin{verbatim} -% FUSE: one bond omitted (a, b, c, or d) -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges are regarded as non-fused positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a, b, c, or d) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \fourfuse{1==N}{1==H;2==F}{c} -% \fourfuse[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}{a} -% \end{verbatim} -% -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/5}{Add: spiro and fused rings} -% -% \begin{macro}{\fourfuse} -% \begin{macro}{\@four@fuse} -% \begin{macro}{\@four@@fuse} -% \begin{macro}{\@fourfuse} -% \begin{macrocode} -\def\fourfuse{\@ifnextchar({\@four@fuse(@}{\@four@fuse(@)}} -\def\@four@fuse(#1){\@ifnextchar[{\@four@@fuse(#1)[@}% -{\@four@@fuse(#1)[@]}} -\def\@four@@fuse(#1)[#2]#3#4#5{\@ifnextchar[% -{\@fourfuse(#1)[#2]{#3}{#4}{#5}[@}% -{\@fourfuse(#1)[#2]{#3}{#4}{#5}[@]}} -\def\@fourfuse(#1)[#2]#3#4#5[#6]{% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{e}{c}{b}{f}{@}{@}% -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % adustment of subs positions % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\fourfusepos{#5}% -\if@sixfuseposv - \yl@shiftii=-\fuseAx - \yl@shifti=-\fuseAy - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(800,880)(-571,-137)% - \iforigpt\put(-571,-137){\circle*{50}}% - \put(-171,103){\circle{50}}% - \typeout{command `fourfuse' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -{\resetbdsw% -\@bond@fuse@omit{#5}{#6}% -\put(0,0){\set@skel@longbond{#1}{a}{skbondshorizi}}% - % bond between 1 and 2 \@aaa -> \skbondshorizi etc -\put(-142,0){\set@skel@bond{#1}{b}{b}}% - % bond between 2 and 3 \@bbb -> \skbondb etc -\put(0,0){\set@skel@longbond{#1}{c}{skbondshoriz}}% - % bond between 3 and 4 \@ccc -> \skbondshoriz etc -\put(0,0){\set@skel@bond{#1}{d}{e}}% - % bond between 4 and 1 \@ddd -> \skbonde etc -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r% -\else\if\member a\relax \put(0,0){\bondshorizi}% -\else\if\member b\relax \put(-142,0){\bondb}% -\else\if\member c\relax \put(0,0){\bondshoriz}% -\else\if\member d\relax \put(0,0){\bonde}% -\else -% %%%%%%%%%%%%%%%%%%%%%%%%% -% % inner bond attachment % -% %%%%%%%%%%%%%%%%%%%%%%%%% - \expandafter\twoCH@@R\member//% - \set@fusionadd@fourv -\fi\fi\fi\fi\fi}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%% -% % setting heteroatoms % -% %%%%%%%%%%%%%%%%%%%%%%% -\put(-142,0){\set@hetatom@sixv{#3}{5}{1}{4}{-1}}% for 2 to 3 -\put(0,0){\set@hetatom@sixv{#3}{4}{4}{6}{0}}% for 1 -\put(0,0){\set@hetatom@sixv{#3}{2}{5}{7}{0}}% for 4 -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\put(-142,0){\setsixringv{#4}{5}{1}{4}{-1}}% for 2 to 3 -\put(0,0){\setsixringv{#4}{4}{4}{6}{0}}% for 1 -\put(0,0){\setsixringv{#4}{2}{5}{7}{0}}% for 4 -\end{picture}% -\fourfusepos{#5}%%for FuseWaring when nested -\iniatom\iniflag -\global\@smallringswtrue%for permition at a center bond -}% %end of \fourfuse macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The macro |\fourfusepos| is used in the definition of -% the |\sixfuseh| macro to detect a fused edge, where -% the coordinates of a reference terminal (|\fuseAx| and |\fuseAy|) -% and of the other terminal of the edge (|\fuseBx| and |\fuseBy|) -% are given for the successive process of adjustment. -% -% \begin{macro}{\fourfusepos} -% \begin{macrocode} -\def\fourfusepos#1{% -\global\@sixfuseposvfalse -{\resetbdsw% -\@tfor\memBer:=#1\do{% -\if\memBer a\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `a'}% - \else - \gdef\fuseAx{-171}\gdef\fuseAy{103}% - \gdef\fuseBx{29}\gdef\fuseBy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer A\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `A'}% - \else - \gdef\fuseBx{-171}\gdef\fuseBy{103}% - \gdef\fuseAx{29}\gdef\fuseAy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer b\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `b'}% - \else - \gdef\fuseAx{29}\gdef\fuseAy{103}% - \gdef\fuseBx{29}\gdef\fuseBy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer B\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `B'}% - \else - \gdef\fuseBx{29}\gdef\fuseBy{103}% - \gdef\fuseAx{29}\gdef\fuseAy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer c\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `c'}% - \else - \gdef\fuseAx{29}\gdef\fuseAy{303}% - \gdef\fuseBx{-171}\gdef\fuseBy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer C\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `C'}% - \else - \gdef\fuseBx{29}\gdef\fuseBy{303}% - \gdef\fuseAx{-171}\gdef\fuseAy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer d\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `d'}% - \else - \gdef\fuseAx{-171}\gdef\fuseAy{303}% - \gdef\fuseBx{-171}\gdef\fuseBy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer D\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `D'}% - \else - \gdef\fuseBx{-171}\gdef\fuseBy{303}% - \gdef\fuseAx{-171}\gdef\fuseAy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -}}}% end of the macro \fourfusepos -% \end{macrocode} -% \end{macro} -% -% \section{Three-membered fusing unit} -% \subsection{Vertical type} -% -% The macro |\threefusev| typesets a three-membered ring to be fused. -% The following numbering is adopted in this macro. -% -% \begin{verbatim} -% ********************** -% * theree fusing unit * -% * (vertical type) * -% ********************** -% -% b -% 3--------2 -% c ` / a -% `1/ <===== the original point -% \end{verbatim} -% -% The macro |\threefusev| has two arguments |ATOMLIST|, |SUBSLIST| and -% |FUSE| as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \threefusev(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `f' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to c, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `$n+$' ($n=1$ to $3$) represents a plus charge on a hetero atom -% at the $n$-position. -% The option `$n+$' ($n=4$ to $6$) represents a plus charge outside the ring. -% The option `$0+$' typesets a plus charge at the center of the ring. -% -% \begin{verbatim} -% BONDLIST = -% -% none : saturated -% a : 1,2-double bond -% b : 2,3-double bond -% c : 3,1-double bond -% A : aromatic circle -% {n+} : plus at the n-hetero atom (n = 1 to 3) -% : n=4 -- outer plus at 1 position -% : n=5 -- outer plus at 2 position -% : n=6 -- outer plus at 3 position -% {0+} : plus at the center of a cyclopropane ring -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 3 atoms) -% -% for n = 1 to 3 -% -% n : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 3 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |FUSE| represents one bond to be omitted. -% The omitted edge is regarded as a fused position. -% -% \begin{verbatim} -% FUSE: one bond omitted (a, b, or c) -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges are regarded as non-fused positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a, b, or c) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \threefusev{1==N}{1==Cl;2==F}{b} -% \end{verbatim} -% -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/5}{Add: spiro and fused rings} -% -% \begin{macro}{\threefusev} -% \begin{macro}{\@three@fusev} -% \begin{macro}{\@three@@fusev} -% \begin{macro}{\@threefusev} -% \begin{macrocode} -\def\threefusev{\@ifnextchar({\@three@fusev(@}{\@three@fusev(@)}} -\def\@three@fusev(#1){\@ifnextchar[{\@three@@fusev(#1)[@}% -{\@three@@fusev(#1)[@]}} -\def\@three@@fusev(#1)[#2]#3#4#5{\@ifnextchar[% -{\@threefusev(#1)[#2]{#3}{#4}{#5}[@}% -{\@threefusev(#1)[#2]{#3}{#4}{#5}[@]}} -\def\@threefusev(#1)[#2]#3#4#5[#6]{% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{d}{b}{f}{@}{@}{@}% -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % adustment of subs positions % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\threefuseposv{#5}% -\if@sixfuseposv - \yl@shiftii=-\fuseAx - \yl@shifti=-\fuseAy - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(800,580)(-468,-240)% - \iforigpt \put(-468,-240){\circle*{50}}% - \put(-68,0){\circle{50}}% - \typeout{command `threefusevv' origin: % - (68,0) ---> (468,240)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -{\resetbdsw% -\@bond@fuse@omit{#5}{#6}% -\put(-68,0){\set@skel@longbond{#1}{a}{skbondtria}}% - % bond between 1 and 2 \@aaa -> \skbondtria etc -\put(0,-132){\set@skel@longbond{#1}{b}{skbondshoriz}}% - % bond between 2 and 3 \@bbb -> \skbondb etc -\put(-68,0){\set@skel@longbond{#1}{c}{skbondtrib}}% - % bond between 3 and 1 \@ccc -> \skbondtria etc -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r\relax% -\else\if\member a\relax\put(-68,0){\bondtria}% -\else\if\member b\relax\put(0,-126){\bondshoriz}% -\else\if\member c\relax\put(-68,0){\bondtrib}% -\else\if\member A\relax% aromatic circle - \put(-70,108){\circle{100}}% %circle -\else -% %%%%%%%%%%%%%%%%%%%%%%%%% -% % inner bond attachment % -% %%%%%%%%%%%%%%%%%%%%%%%%% - \expandafter\twoCH@@R\member//% - \set@fusionadd@threev -\fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\put(-68,0){\set@hetatom@sixv{#3}{3}{3}{5}{0}% -\if@clip\global\@cliptrue\fi -}%subst 1 -\put(-142,-132){\set@hetatom@sixv{#3}{0}{1}{3}{0}% -\if@bclip\global\@bcliptrue\fi -}%subst 2 -\put(0,-132){\set@hetatom@sixv{#3}{3}{5}{7}{0}% -\if@fclip\global\@fcliptrue\fi -}%subst 3 -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\put(-68,0){\setsixringv{#4}{3}{3}{5}{0}}%subst 1 -\put(-142,-132){\setsixringv{#4}{0}{1}{3}{0}}%subst 2 -\put(0,-132){\setsixringv{#4}{3}{5}{7}{0}}%subst 3 -\end{picture}% -\threefuseposv{#5}%%for FuseWaring when nested -\iniatom\iniflag -\global\@smallringswtrue%for permition at a center bond -}% %end of \threefusev macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The macro |\threefuseposv| is used in the definition of -% the |\threefusev| macro to detect a fused edge, where -% the coordinates of a reference terminal (|\fuseAx| and |\fuseAy|) -% and of the other terminal of the edge (|\fuseBx| and |\fuseBy|) -% are given for the successive process of adjustment. -% -% \begin{macro}{\threefuseposv} -% \begin{macrocode} -\def\threefuseposv#1{% -\global\@sixfuseposvfalse -{\resetbdsw% -\@tfor\memBer:=#1\do{% -\if\memBer a\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `a'}% - \else - \gdef\fuseAx{-68}\gdef\fuseAy{0}% -% \gdef\fuseBx{29}\gdef\fuseBy{171}% - \gdef\fuseBx{35}\gdef\fuseBy{171}%corrected - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer A\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `A'}% - \else -% \gdef\fuseBx{-68}\gdef\fuseBy{0}% - \gdef\fuseBx{-74}\gdef\fuseBy{0}%corrected - \gdef\fuseAx{29}\gdef\fuseAy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer b\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `b'}% - \else - \gdef\fuseAx{29}\gdef\fuseAy{171}% - \gdef\fuseBx{-171}\gdef\fuseBy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer B\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `B'}% - \else - \gdef\fuseBx{29}\gdef\fuseBy{171}% - \gdef\fuseAx{-171}\gdef\fuseAy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer c\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `c'}% - \else - \gdef\fuseAx{-171}\gdef\fuseAy{171}% - \gdef\fuseBx{-68}\gdef\fuseBy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer C\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `C'}% - \else - \gdef\fuseBx{-171}\gdef\fuseBy{171}% - \gdef\fuseAx{-68}\gdef\fuseAy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -}}}% end of the macro \threefuseposv -% \end{macrocode} -% \end{macro} -% -% \subsection{Inverse vertical type} -% -% The macro |\threefusevi| typesets a three-membered ring of -% inverse vertical type. The following numbering is adopted -% in this macro. -% \changes{v1.02}{1998/10/20}{Newly added commands: -% \cs{threefusevi}} -% -% \begin{verbatim} -% **************************** -% * thereehetero derivatives * -% * (inverse vertical type) * -% **************************** -% -% /1` <===== the original point -% c / ` a -% 3--------2 -% b -% \end{verbatim} -% -% The macro |\threefusevi| has two arguments |ATOMLIST|, |SUBSLIST| and |FUSE| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \threefusevi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `f' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to c, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `$n+$' ($n=1$ to $3$) represents a plus charge on a hetero atom -% at the $n$-position. -% The option `$n+$' ($n=4$ to $6$) represents a plus charge outside the ring. -% The option `$0+$' typesets a plus charge at the center of the ring. -% -% \begin{verbatim} -% BONDLIST = -% -% none : saturated -% a : 1,2-double bond -% b : 2,3-double bond -% c : 3,1-double bond -% A : aromatic circle -% {n+} : plus at the n-hetero atom (n = 1 to 3) -% : n=4 -- outer plus at 1 position -% : n=5 -- outer plus at 2 position -% : n=6 -- outer plus at 3 position -% {0+} : plus at the center of a cyclopropane ring -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 3 atoms) -% -% for n = 1 to 3 -% -% n : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 3 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |FUSE| represents one bond to be omitted. -% The omitted edge is regarded as a fused position. -% -% \begin{verbatim} -% FUSE: one bond omitted (a, b, or c) -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges are regarded as non-fused positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a, b, or c) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \threefusevi{1==N}{1==Cl;2==F}{c} -% \threefusevi[c]{1==N}{1==Cl;3==F;2==CH$_{3}$}{a} -% \threefusevi{1==N}{1D==O}{b} -% \end{verbatim} -% -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/5}{Add: spiro and fused rings} -% -% \begin{macro}{\threefusevi} -% \begin{macro}{\@three@fusevi} -% \begin{macro}{\@three@@fusevi} -% \begin{macro}{\@threefusevi} -% \begin{macrocode} -\def\threefusevi{\@ifnextchar({\@three@fusevi(@}{\@three@fusevi(@)}} -\def\@three@fusevi(#1){\@ifnextchar[{\@three@@fusevi(#1)[@}% -{\@three@@fusevi(#1)[@]}} -\def\@three@@fusevi(#1)[#2]#3#4#5{\@ifnextchar[% -{\@threefusevi(#1)[#2]{#3}{#4}{#5}[@}% -{\@threefusevi(#1)[#2]{#3}{#4}{#5}[@]}} -\def\@threefusevi(#1)[#2]#3#4#5[#6]{% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{a}{c}{e}{@}{@}{@}% -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % adustment of subs positions % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\threefuseposvi{#5}% -\if@sixfuseposv - \yl@shiftii=-\fuseAx - \yl@shifti=-\fuseAy - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(800,580)(-468,-340)% - \iforigpt \put(-468,-340){\circle*{50}}% - \put(-68,0){\circle{50}}% - \typeout{command `threefusevi' origin: % - (0,0) ---> (-468,-340)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -{\resetbdsw% -\@bond@fuse@omit{#5}{#6}% -\put(-68,0){\set@skel@longbond{#1}{a}{skBondtria}}% - % bond between 1 and 2 \@aaa -> \skBondtria etc -\put(0,-275){\set@skel@longbond{#1}{b}{skbondshorizi}}% - % bond between 2 and 3 \@bbb -> \skbondb etc -\put(-68,0){\set@skel@longbond{#1}{c}{skBondtrib}}% - % bond between 3 and 1 \@ccc -> \skBondtrib etc -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r\relax% -\else\if\member a\relax\put(-68,0){\Bondtria}% -\else\if\member b\relax\put(0,-274){\bondshorizi}% -\else\if\member c\relax\put(-68,0){\Bondtrib}% -\else\if\member A\relax% aromatic circle - \put(-70,-108){\circle{100}}% %circle -\else -% %%%%%%%%%%%%%%%%%%%%%%%%% -% % inner bond attachment % -% %%%%%%%%%%%%%%%%%%%%%%%%% - \expandafter\twoCH@@R\member//% - \set@fusionadd@threevi -\fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\put(-68,-406){\set@hetatom@sixv{#3}{0}{0}{2}{0}% -\if@aclip\global\@acliptrue\fi -}%subst 1 -\put(0,-275){\set@hetatom@sixv{#3}{2}{4}{6}{0}% -\if@cclip\global\@ccliptrue\fi -}%subst 3 -\put(-142,-275){\set@hetatom@sixv{#3}{1}{2}{4}{0}% -\if@eclip\global\@ecliptrue\fi -}%subst 2 -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\put(-68,-406){\setsixringv{#4}{0}{0}{2}{0}}%subst 1 -\put(0,-275){\setsixringv{#4}{2}{4}{6}{0}}%subst 3 -\put(-142,-275){\setsixringv{#4}{1}{2}{4}{0}}%subst 2 -\end{picture}% -\threefuseposvi{#5}%%for FuseWaring when nested -\iniatom\iniflag -\global\@smallringswtrue%for permition at a center bond -}% %end of \threefusevi macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The macro |\threefuseposvi| is used in the definition of -% the |\threefusev| macro to detect a fused edge, where -% the coordinates of a reference terminal (|\fuseAx| and |\fuseAy|) -% and of the other terminal of the edge (|\fuseBx| and |\fuseBy|) -% are given for the successive process of adjustment. -% -% \begin{macro}{\threefuseposvi} -% \begin{macrocode} -\def\threefuseposvi#1{% -\global\@sixfuseposvfalse -{\resetbdsw% -\@tfor\memBer:=#1\do{% -\if\memBer a\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `a'}% - \else - \gdef\fuseAx{-68}\gdef\fuseAy{0}% -% \gdef\fuseBx{29}\gdef\fuseBy{-171}% - \gdef\fuseBx{35}\gdef\fuseBy{-171}%corrected - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer A\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `A'}% - \else -% \gdef\fuseBx{-68}\gdef\fuseBy{0}% - \gdef\fuseBx{-74}\gdef\fuseBy{0}%corrected - \gdef\fuseAx{29}\gdef\fuseAy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer b\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `b'}% - \else - \gdef\fuseAx{29}\gdef\fuseAy{-171}% - \gdef\fuseBx{-171}\gdef\fuseBy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer B\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `B'}% - \else - \gdef\fuseBx{29}\gdef\fuseBy{-171}% - \gdef\fuseAx{-171}\gdef\fuseAy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer c\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `c'}% - \else - \gdef\fuseAx{-171}\gdef\fuseAy{-171}% - \gdef\fuseBx{-68}\gdef\fuseBy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer C\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `C'}% - \else - \gdef\fuseBx{-171}\gdef\fuseBy{-171}% - \gdef\fuseAx{-68}\gdef\fuseAy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -}}}% end of the macro \threefuseposvi -% \end{macrocode} -% \end{macro} -% -% \subsection{Horizontal type} -% -% The macro |\threefuseh| typesets a three-membered ring to be fused. -% The following numbering is adopted in this macro. -% -% \begin{verbatim} -% **************************** -% * thereehetero fusing unit * -% * (horizontal type) * -% **************************** - -% aaa fff -% 3 -% | ` c -% b | 1 bbb ccc -% | / a -% 2/ -% ddd eee -% -% \end{verbatim} -% -% The macro |\threefuseh| has two arguments |ATOMLIST|, |SUBSLIST| and |FUSE| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \threefuseh(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `f' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to c, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `$n+$' ($n=1$ to $3$) represents a plus charge on a hetero atom -% at the $n$-position. -% The option `$n+$' ($n=4$ to $6$) represents a plus charge outside the ring. -% The option `$0+$' typesets a plus charge at the center of the ring. -% -% \begin{verbatim} -% BONDLIST = -% -% none : saturated -% a : 1,2-double bond -% b : 2,3-double bond -% c : 3,1-double bond -% A : aromatic circle -% {n+} : plus at the n-hetero atom (n = 1 to 3) -% : n=4 -- outer plus at 1 position -% : n=5 -- outer plus at 2 position -% : n=6 -- outer plus at 3 position -% {0+} : plus at the center of a cyclopropane ring -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 3 atoms) -% -% for n = 1 to 3 -% -% n : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 3 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |FUSE| represents one bond to be omitted. -% The omitted edge is regarded as a fused position. -% -% \begin{verbatim} -% FUSE: one bond omitted (a, b, or c) -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges are regarded as non-fused positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a, b, or c) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \threefuseh{1==N}{1==Cl;2==F}{c} -% \end{verbatim} -% -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/5}{Add: spiro and fused rings} -% -% \begin{macro}{\threefuseh} -% \begin{macro}{\@three@fuseh} -% \begin{macro}{\@three@@fuseh} -% \begin{macro}{\@threefuseh} -% \begin{macrocode} -\def\threefuseh{\@ifnextchar({\@three@fuseh(@}{\@three@fuseh(@)}} -\def\@three@fuseh(#1){\@ifnextchar[{\@three@@fuseh(#1)[@}% -{\@three@@fuseh(#1)[@]}} -\def\@three@@fuseh(#1)[#2]#3#4#5{\@ifnextchar[% -{\@threefuseh(#1)[#2]{#3}{#4}{#5}[@}% -{\@threefuseh(#1)[#2]{#3}{#4}{#5}[@]}} -\def\@threefuseh(#1)[#2]#3#4#5[#6]{% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{d}{f}{b}{@}{@}{@}%tentative use for six-h -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % adustment of subs positions % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\threefuseposh{#5}% -\if@sixfuseposv - \yl@shiftii=-\fuseAx - \yl@shifti=-\fuseAy - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(580,700)(-200,-240)% - \iforigpt \put(-200,-200){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `threefuseh' origin: % - (0,0) ---> (200,200)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % retreatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{c}{e}{a}{@}{@}{@}% -\test@vertix@sixv{#3}{b}{d}{f}{@}{@}{@}% -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -{\resetbdsw% -\@bond@fuse@omit{#5}{#6}% -\put(0,0){\set@skel@bond{#1}{a}{c}}% - % bond between 1 and 2 \@aaa -> \skbondc etc -\put(171,-103){\set@skel@bond{#1}{b}{e}}% - % bond between 2 and 3 \@bbb -> \skbonde etc -\put(0,-200){\set@skel@bond{#1}{c}{a}}% - % bond between 3 and 1 \@ccc -> \skbonda etc -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r\relax% -\else\if\member a\relax\put(0,0){\bondc}% -\else\if\member b\relax\put(171,-103){\bonde}% -\else\if\member c\relax\put(0,-200){\bonda}% -\else\if\member A\relax% aromatic circle - \put(70,103){\circle{100}}% %circle -\else -% %%%%%%%%%%%%%%%%%%%%%%%%% -% % inner bond attachment % -% %%%%%%%%%%%%%%%%%%%%%%%%% - \expandafter\twoCH@@R\member//% - \set@fusionadd@threeh -\fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\iniflag -%\put(-235,103){\set@hetatom@sixh{#3}{3}{3}{5}{0}% -\put(-215,103){\set@hetatom@sixh{#3}{3}{3}{5}{0}% -\if@clip \global\@cliptrue\fi}%subst 1 <--six h 4 -\put(-103,29){\set@hetatom@sixh{#3}{-1}{1}{3}{0}% -\if@bclip \global\@bcliptrue\fi}%subst 3 <--six h 2 -\put(-103,171){\set@hetatom@sixh{#3}{4}{5}{7}{0}% -\if@fclip \global\@fcliptrue\fi}%subst 2 <--six h 6 -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\put(-235,103){\setsixringh{#4}{3}{3}{5}{0}}%subst 1 -\put(-103,29){\setsixringh{#4}{-1}{1}{3}{0}}%subst 3 -\put(-103,171){\setsixringh{#4}{4}{5}{7}{0}}%subst 2 -\end{picture}% -\threefuseposh{#5}%%for FuseWaring when nested -\iniatom\iniflag -\global\@smallringswtrue%for permition at a center bond -}% %end of \threefuseh macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The macro |\threefuseposh| is used in the definition of -% the |\threefusev| macro to detect a fused edge, where -% the coordinates of a reference terminal (|\fuseAx| and |\fuseAy|) -% and of the other terminal of the edge (|\fuseBx| and |\fuseBy|) -% are given for the successive process of adjustment. -% -% \begin{macro}{\threefuseposh} -% \begin{macrocode} -\def\threefuseposh#1{% -\global\@sixfuseposvfalse -{\resetbdsw% -\@tfor\memBer:=#1\do{% -\if\memBer a\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `a'}% - \else - \gdef\fuseAx{171}\gdef\fuseAy{103}%corrected - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer A\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `A'}% - \else - \gdef\fuseBx{171}\gdef\fuseBy{103}% - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer b\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `b'}% - \else - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \gdef\fuseBx{0}\gdef\fuseBy{200}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer B\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `B'}% - \else - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \gdef\fuseAx{0}\gdef\fuseAy{200}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer c\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `c'}% - \else - \gdef\fuseAx{0}\gdef\fuseAy{200}% -% \gdef\fuseBx{171}\gdef\fuseBy{103}% - \gdef\fuseBx{171}\gdef\fuseBy{97}%corrected - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer C\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `C'}% - \else -% \gdef\fuseBx{0}\gdef\fuseBy{200}% - \gdef\fuseBx{0}\gdef\fuseBy{206}%corrected - \gdef\fuseAx{171}\gdef\fuseAy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -}}}% end of the macro \threefuseposh -% \end{macrocode} -% \end{macro} -% -% \subsection{Inverse horizontal type} -% -% The macro |\threefusehi| typesets a three-membered ring to be fused. -% The following numbering is adopted in this macro. -% -% \begin{verbatim} -% ******************************* -% * thereehetero fusing unit * -% * (vertical horizontal type) * -% ******************************* -% -% aaa bbb -% c 3 -% / | -% eee 1 | b -% fff a` | -% 2 <---original point -% ccc ddd -% \end{verbatim} -% -% The macro |\threefusehi| has two arguments |ATOMLIST|, |SUBSLIST| and |FUSE| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \threefusehi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `f' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to c, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `$n+$' ($n=1$ to $3$) represents a plus charge on a hetero atom -% at the $n$-position. -% The option `$n+$' ($n=4$ to $6$) represents a plus charge outside the ring. -% The option `$0+$' typesets a plus charge at the center of the ring. -% -% \begin{verbatim} -% BONDLIST = -% -% none : saturated -% a : 1,2-double bond -% b : 2,3-double bond -% c : 3,1-double bond -% A : aromatic circle -% {n+} : plus at the n-hetero atom (n = 1 to 3) -% : n=4 -- outer plus at 1 position -% : n=5 -- outer plus at 2 position -% : n=6 -- outer plus at 3 position -% {0+} : plus at the center of a cyclopropane ring -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 3 atoms) -% -% for n = 1 to 3 -% -% n : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 3 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |FUSE| represents one bond to be omitted. -% The omitted edge is regarded as a fused position. -% -% \begin{verbatim} -% FUSE: one bond omitted (a, b, or c) -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges are regarded as non-fused positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a, b, or c) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \threefusehi{1==N}{1==Cl;2==F}{c} -% \threefusehi[c]{1==N}{1==Cl;3==F;2==CH$_{3}$}{a} -% \end{verbatim} -% -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/5}{Add: spiro and fused rings} -% -% \begin{macro}{\threefusehi} -% \begin{macro}{\@three@fusehi} -% \begin{macro}{\@three@@fusehi} -% \begin{macro}{\@threefusehi} -% \begin{macrocode} -\def\threefusehi{\@ifnextchar({\@three@fusehi(@}{\@three@fusehi(@)}} -\def\@three@fusehi(#1){\@ifnextchar[{\@three@@fusehi(#1)[@}% -{\@three@@fusehi(#1)[@]}} -\def\@three@@fusehi(#1)[#2]#3#4#5{\@ifnextchar[% -{\@threefusehi(#1)[#2]{#3}{#4}{#5}[@}% -{\@threefusehi(#1)[#2]{#3}{#4}{#5}[@]}} -\def\@threefusehi(#1)[#2]#3#4#5[#6]{% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{a}{e}{c}{@}{@}{@}%tentative use for six-h -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % adustment of subs positions % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\threefuseposhi{#5}% -\if@sixfuseposv - \yl@shiftii=-\fuseAx - \yl@shifti=-\fuseAy - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(580,700)(-400,-240)% - \iforigpt \put(-400,-200){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `threefusehi' origin: % - (0,0) ---> (400,200)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % retreatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{e}{c}{a}{@}{@}{@}% -\test@vertix@sixv{#3}{f}{d}{b}{@}{@}{@}% -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -{\resetbdsw% -\@bond@fuse@omit{#5}{#6}% -\put(0,0){\set@skel@bond{#1}{a}{d}}% - % bond between 1 and 2 \@aaa -> \skbondd etc -\put(-171,-103){\set@skel@bond{#1}{b}{b}}% - % bond between 2 and 3 \@bbb -> \skbondb etc -\put(0,-200){\set@skel@bond{#1}{c}{f}}% - % bond between 3 and 1 \@ccc -> \skbondf etc -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r\relax% -\else\if\member a\relax\put(0,0){\bondd}% -\else\if\member b\relax\put(-171,-103){\bondb}% -\else\if\member c\relax\put(0,-200){\bondf}% -\else\if\member A\relax% aromatic circle - \put(70,103){\circle{100}}% %circle -\else -% %%%%%%%%%%%%%%%%%%%%%%%%% -% % inner bond attachment % -% %%%%%%%%%%%%%%%%%%%%%%%%% - \expandafter\twoCH@@R\member//% - \set@fusionadd@threehi -\fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\iniflag -\put(-171,103){\set@hetatom@sixh{#3}{0}{0}{2}{0}% -\if@aclip \global\@acliptrue\fi}%subst 1 <--six h 1 -\put(-303,29){\set@hetatom@sixh{#3}{0}{2}{4}{0}% -\if@cclip \global\@ccliptrue\fi}%subst 3 <--six h 3 -\put(-303,171){\set@hetatom@sixh{#3}{3}{4}{6}{0}% -\if@eclip \global\@ecliptrue\fi}%subst 2 <--six h 5 -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\put(-171,103){\setsixringh{#4}{0}{0}{2}{0}}%subst 1 -\put(-303,29){\setsixringh{#4}{0}{2}{4}{0}}%subst 3 -\put(-303,171){\setsixringh{#4}{3}{4}{6}{0}}%subst 2 -\end{picture}% -\threefuseposhi{#5}%%for FuseWaring when nested -\iniatom\iniflag -\global\@smallringswtrue%for permition at a center bond -}% %end of \threefusehi macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The macro |\threefuseposhi| is used in the definition of -% the |\threefusev| macro to detect a fused edge, where -% the coordinates of a reference terminal (|\fuseAx| and |\fuseAy|) -% and of the other terminal of the edge (|\fuseBx| and |\fuseBy|) -% are given for the successive process of adjustment. -% -% \begin{macro}{\threefuseposhi} -% \begin{macrocode} -\def\threefuseposhi#1{% -\global\@sixfuseposvfalse -{\resetbdsw% -\@tfor\memBer:=#1\do{% -\if\memBer a\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `a'}% - \else - \gdef\fuseAx{-171}\gdef\fuseAy{103}%corrected - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer A\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `A'}% - \else - \gdef\fuseBx{-171}\gdef\fuseBy{103}% - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer b\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `b'}% - \else - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \gdef\fuseBx{0}\gdef\fuseBy{200}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer B\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `B'}% - \else - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \gdef\fuseAx{0}\gdef\fuseAy{200}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer c\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `c'}% - \else - \gdef\fuseAx{0}\gdef\fuseAy{200}% -% \gdef\fuseBx{-171}\gdef\fuseBy{103}% - \gdef\fuseBx{-171}\gdef\fuseBy{97}%corrected - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer C\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `C'}% - \else -% \gdef\fuseBx{0}\gdef\fuseBy{200}% - \gdef\fuseBx{0}\gdef\fuseBy{206}%corrected - \gdef\fuseAx{-171}\gdef\fuseAy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -}}}% end of the macro \threefuseposhi -% -% \end{macrocode} -% \end{macro} -% -% \Finale -% -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/fusering.ins b/Master/texmf-dist/source/latex/xymtex/fusering.ins deleted file mode 100644 index 0c228764feb..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/fusering.ins +++ /dev/null @@ -1,49 +0,0 @@ -\def\batchfile{fusering.ins} -\input docstrip.tex -\preamble - -This is a generated file. - -Copyright 1998 by Shinsaku Fujita - -This file is part of the XyMTeX system. -======================================= - -Version 1.02 Released on October 31, 1998 (private version) -Version 2.00 Released on December 25, 1998 - -Copyright (C) 1998 by Shinsaku Fujita, all rights reserved. -This style file is created for drawing chemical structural formulas -This style file is to be contained in the ``xymtex'' directory which -is an input directory for TeX. - -Copying of this file is authorized only if either - - (1) you make absolutely no changes to your copy, including name and - directory name - (2) if you do make changes, - (a) you name it something other than the names included in the - ``xymtex'' directory and - (b) you acknowledge the original name. - This restriction ensures that all standard styles are identical. - -======================================= - -This file contains several codes modified from latex.tex (LaTeX2.09) -and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -Copyright 1994 the LaTeX3 project and the individual authors (For further -copyright information see the file legal.txt of the LaTeX2e standard -distribution, and any other copyright indicated in this file.) - -\endpreamble - -\keepsilent - -\generateFile{fusering.drv}{t}{% - \from{fusering.dtx}{driver}} - -\generateFile{fusering.sty}{t}{% - \from{fusering.dtx}{fusering}} - -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/hcycle.drv b/Master/texmf-dist/source/latex/xymtex/hcycle.drv deleted file mode 100644 index 6fc2980ee14..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/hcycle.drv +++ /dev/null @@ -1,81 +0,0 @@ -%% -%% This is file `hcycle.drv', -%% generated with the docstrip utility. -%% -%% The original source files were: -%% -%% hcycle.dtx (with options: `driver') -%% -%% This is a generated file. -%% -%% Copyright 1996,1998 by Shinsaku Fujita -%% -%% This file is part of the XyMTeX system. -%% ======================================= -%% -%% Version 1.01 Released on August 16, 1996 -%% Version 1.02 Released on October 31, 1996 (private version) -%% Version 2.00 Released on December 25, 1998 -%% -%% Copyright (C) 1996,1998 by Shinsaku Fujita, all rights reserved. -%% This style file is created for drawing chemical structural formulas -%% This style file is to be contained in the ``xymtex'' directory which -%% is an input directory for TeX. -%% -%% Copying of this file is authorized only if either -%% -%% (1) you make absolutely no changes to your copy, including name and -%% directory name -%% (2) if you do make changes, -%% (a) you name it something other than the names included in the -%% ``xymtex'' directory and -%% (b) you acknowledge the original name. -%% This restriction ensures that all standard styles are identical. -%% -%% ======================================= -%% -%% This file contains several codes modified from latex.tex (LaTeX2.09) -%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -%% Copyright 1994 the LaTeX3 project and the individual authors (For further -%% copyright information see the file legal.txt of the LaTeX2e standard -%% distribution, and any other copyright indicated in this file.) -%% -%% File: hcycle.dtx -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -\NeedsTeXFormat{pLaTeX2e} -\ProvidesFile{hcycle.dtx}[1996/12/25 v2.00 XyMTeX{} package file] -\documentclass{ltxdoc} -\GetFileInfo{hcycle.dtx} -\def\UPSILON{\char'7} -\def\XyM{X\kern-.30em\smash{% -\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}} -\def\XyMTeX{\XyM\kern-.1em\TeX} -\title{Further Hetrocycles by {\sffamily hcycle.sty} -(\fileversion) of \XyMTeX{}} -\author{Shinsaku Fujita \\ -Department of Chemistry and Materials Technology, \\ -Kyoto Institute of Technology, \\ -Matsugasaki, Sakyoku, Kyoto, 606 Japan -} -\date{\filedate} -\begin{document} - \maketitle - \DocInput{hcycle.dtx} -\end{document} -\endinput -%% -%% End of file `hcycle.drv'. diff --git a/Master/texmf-dist/source/latex/xymtex/hcycle.dtx b/Master/texmf-dist/source/latex/xymtex/hcycle.dtx deleted file mode 100644 index 1ad1c0059f9..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/hcycle.dtx +++ /dev/null @@ -1,780 +0,0 @@ -% \iffalse meta-comment -%% File: hcycle.dtx -% -% Copyright 1993,1996,1998 by Shinsaku Fujita -% -% This file is part of XyMTeX system. -% ------------------------------------- -% -% This file is a successor to: -% -% hcycle.sty -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 1.00} -% \typeout{ -- Released December 1, 1993 by Shinsaku Fujita} -% Copyright (C) 1993 by Shinsaku Fujita, all rights reserved. -% -% This file is a part of the macro package ``XyMTeX'' which has been -% designed for typesetting chemical structural formulas. -% -% This file is to be contained in the ``xymtex'' directory which is -% an input directory for TeX. It is a LaTeX optional style file and -% should be used only within LaTeX, because several macros of the file -% are based on LaTeX commands. -% -% For the review of XyMTeX, see -% (1) Shinsaku Fujita, ``Typesetting structural formulas with the text -% formatter TeX/LaTeX'', Computers and Chemistry, in press. -% The following book deals with an application of TeX/LaTeX to -% preparation of manuscripts of chemical fields: -% (2) Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' -% Tokyo Kagaku Dozin, Tokyo (1993) [in Japanese]. -% -% Copying of this file is authorized only if either -% (1) you make absolutely no changes to your copy, including name and -% directory name; or -% (2) if you do make changes, -% (a) you name it something other than the names included in the -% ``xymtex'' directory and -% (b) you are requested to leave this notice intact. -% This restriction ensures that all standard styles are identical. -% -% Please report any bugs, comments, suggestions, etc. to: -% Shinsaku Fujita, -% Ashigara Research Laboratories, Fuji Photo Film Co., Ltd., -% Minami-Ashigara, Kanagawa-ken, 250-01, Japan. -% -% New address: -% Shinsaku Fujita, -% Department of Chemistry and Materials Technology, -% Kyoto Institute of Technology, \\ -% Matsugasaki, Sakyoku, Kyoto, 606 Japan -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{hcycle} -% \def\versi@ndate{December 01, 1993} -% \def\versi@nno{ver1.00} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{hcycle} -% \def\versi@ndate{August 16, 1996} -% \def\versi@nno{ver1.01} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{hcycle} -% \def\versi@ndate{October 31, 1998} -% \def\versi@nno{ver1.02} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% -% \fi -% -% \CheckSum{740} -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -% -% \setcounter{StandardModuleDepth}{1} -% -% \StopEventually{} -% \MakeShortVerb{\|} -% -% \iffalse -% \changes{v1.01}{1996/06/26}{first edition for LaTeX2e} -% \changes{v1.02}{1998/10/31}{revised edition for LaTeX2e} -% \changes{v2.00}{1998/12/25}{enhanced edition for LaTeX2e} -% \fi -% -% \iffalse -%<*driver> -\NeedsTeXFormat{pLaTeX2e} -% \fi -\ProvidesFile{hcycle.dtx}[1996/12/25 v2.00 XyMTeX{} package file] -% \iffalse -\documentclass{ltxdoc} -\GetFileInfo{hcycle.dtx} -% -% %%XyMTeX Logo: Definition 2%%% -\def\UPSILON{\char'7} -\def\XyM{X\kern-.30em\smash{% -\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}} -\def\XyMTeX{\XyM\kern-.1em\TeX} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\title{Further Hetrocycles by {\sffamily hcycle.sty} -(\fileversion) of \XyMTeX{}} -\author{Shinsaku Fujita \\ -Department of Chemistry and Materials Technology, \\ -Kyoto Institute of Technology, \\ -Matsugasaki, Sakyoku, Kyoto, 606 Japan -% % (old address) -% % Ashigara Research Laboratories, -% % Fuji Photo Film Co., Ltd., \\ -% % Minami-Ashigara, Kanagawa, 250-01 Japan -} -\date{\filedate} -% -\begin{document} - \maketitle - \DocInput{hcycle.dtx} -\end{document} -% -% \fi -% -% \section{Introduction}\label{hcycle:intro} -% -% \subsection{Options for {\sffamily docstrip}} -% -% \DeleteShortVerb{\|} -% \begin{center} -% \begin{tabular}{|l|l|} -% \hline -% \emph{option} & \emph{function}\\ \hline -% hcycle & hcycle.sty \\ -% driver & driver for this dtx file \\ -% \hline -% \end{tabular} -% \end{center} -% \MakeShortVerb{\|} -% -% \subsection{Version Information} -% -% \begin{macrocode} -%<*hcycle> -\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00} -\typeout{ -- Released December 25, 1998 by Shinsaku Fujita} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\def\j@urnalname{hcycle} -\def\versi@ndate{December 25, 1998} -\def\versi@nno{ver2.00} -\def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>% -\space[\copyrighth@lder]} -% \end{macrocode} -% -% \section{List of commands for hcycle.sty} -% -% \begin{verbatim} -% ******************************** -% * hcycle.sty: list of commands * -% ******************************** -% -% -% -% \@pyrana -% \@pyranb -% \@pyranc -% -% -% -% \pyranose \@pyranose -% \furanose \@furanose -% -% -% -% \ylpyranoseposition -% \ylfuranoseposition -% \end{verbatim} -% -% \section{Input of basic macros} -% -% To assure the compatibility to \LaTeX{}2.09 (the native mode), -% the commands added by \LaTeXe{} have not been used in the resulting sty -% files ({\sf hcycle.sty} for the present case). Hence, the combination -% of |\input| and |\@ifundefined| is used to crossload sty -% files ({\sf chemstr.sty} for the present case) in place of the -% |\RequirePackage| command of \LaTeXe{}. -% -% \begin{macrocode} -% ************************* -% * input of basic macros * -% ************************* -\@ifundefined{setsixringv}{\input chemstr.sty\relax}{} -\unitlength=0.1pt -% \end{macrocode} -% -% \section{Macros for setting substituents} -% -% Macros |\@pyrana| to |\@pyranc| are used to set substituents -% on each position of a pyranose and furanose. Note that -% comments (conerning locant numbers) on the end of each row have -% lost the exact meaning, -% since such a command moiety is used in many macros after copying. -% -% \begin{macro}{\@pyrana} -% \begin{macro}{\@pyranb} -% \begin{macro}{\@pyranbb} -% \begin{macro}{\@pyranbB} -% \begin{macro}{\@pyranc} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% ************************************************** -% * setting substituents for pyranose and furanose * -% ************************************************** -% %%%%%%%%%%%%%%% -% % subst. on 1 % -% %%%%%%%%%%%%%%% -\def\@pyrana{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10 - \yl@ydiff=30 - \put(0,0){\line(1,0){120}}% single bond at 1 - \putratom{130}{-30}{\@memberb}% right type - \else\if\@tmpc a%(a) alpha - \yl@xdiff=32 - \yl@ydiff=72 - \put(0,0){\line(0,-1){118}}% single bond at 1 alpha (down) - \putratom{-32}{-190}{\@memberb}% right type - \else\if\@tmpc b%(e) beta - \yl@xdiff=32 - \yl@ydiff=-12 - \put(0,0){\line(0,1){118}}% single bond at 1 beta (up) - \putratom{-32}{130}{\@memberb}% right type - \else\if\@tmpc A% alpha - \yl@xdiff=-10 - \yl@ydiff=60 - \put(0,0){\line(1,-1){120}}% single bond at 1 - \putratom{130}{-180}{\@memberb}% right type - \else\if\@tmpc B% beta - \yl@xdiff=-10 - \yl@ydiff=10 - \put(0,0){\line(1,1){120}}% single bond at 1 - \putratom{130}{110}{\@memberb}% right type - \fi\fi\fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=-10 - \yl@ydiff=30 - \put(0,-15){\line(1,0){120}}% double bond at 1 - \put(0,15){\line(1,0){120}}% double bond at 1 - \putratom{130}{-30}{\@memberb}% right type - \else% - \yl@xdiff=-10 - \yl@ydiff=30 - \put(0,0){\line(1,0){120}}% single bond at 1 - \putratom{130}{-30}{\@memberb}% right type - \fi\fi}% -% \end{macrocode} -% -% \changes{v1.02}{1998/10/25}{\cs{@pyranb} is divided into -% \cs{@pyranb}, \cs{@pyranbb} and \cs{@pyranbB}} -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%% -% % subst. on 2,3,5 % -% %%%%%%%%%%%%%%%%%%% -% %%%%%%%%%%%%%%% -% % subst. on 2 % -% %%%%%%%%%%%%%%% -\def\@pyranb{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10 - \yl@ydiff=60 - \put(0,0){\line(1,-1){120}}% single bond at 1 - \putratom{130}{-180}{\@memberb}% left type - \else\if\@tmpc a%(a) alpha - \yl@xdiff=32 - \yl@ydiff=72 - \put(0,0){\line(0,-1){118}}% single bond alpha (down) - \putlratom{-32}{-190}{\@memberb}% left & right type - \else\if\@tmpc b%(b) beta - \yl@xdiff=32 - \yl@ydiff=-12 - \put(0,0){\line(0,1){118}}% single bond beta (up) - \putlratom{-32}{130}{\@memberb}% left & right type - \fi\fi\fi%\fi\fi% - \else \if\@tmpb D%double bond: Added by SF 1998/10/25 - \yl@xdiff=-10 - \yl@ydiff=60 - \put(-15,-15){\line(1,-1){120}}% double bond at 1 - \put(0,15){\line(1,-1){120}}% double bond at 1 - \putratom{130}{-180}{\@memberb}% right type - \else% - \yl@xdiff=-10 - \yl@ydiff=10 - \put(0,0){\line(1,1){120}}% single bond at 1 - \putratom{130}{110}{\@memberb}% left type -\fi\fi}% -% \end{macrocode} -% -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 3 % -% %%%%%%%%%%%%%%% -\def\@pyranbb{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10 - \yl@ydiff=60 - \put(0,0){\line(1,-1){120}}% single bond at 1 - \putratom{130}{-180}{\@memberb}% left type - \else\if\@tmpc a%(a) alpha - \yl@xdiff=32 - \yl@ydiff=72 - \put(0,0){\line(0,-1){118}}% single bond alpha (down) - \putlratom{-32}{-190}{\@memberb}% left & right type - \else\if\@tmpc b%(b) beta - \yl@xdiff=32 - \yl@ydiff=-12 - \put(0,0){\line(0,1){118}}% single bond beta (up) - \putlratom{-32}{130}{\@memberb}% left & right type - \fi\fi\fi%\fi\fi% - \else \if\@tmpb D%double bond: Added by SF 1998/10/25 - \yl@xdiff=20 - \yl@ydiff=60 - \put(15,-15){\line(-1,-1){120}}% double bond at 1 - \put(0,15){\line(-1,-1){120}}% double bond at 1 - \putlatom{-130}{-180}{\@memberb}%left type - \else% - \yl@xdiff=10 - \yl@ydiff=60 - \put(0,0){\line(-1,-1){120}}% single bond at 1 - \putlatom{-130}{-180}{\@memberb}% left type -\fi\fi}% -% \end{macrocode} -% -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 5 % -% %%%%%%%%%%%%%%% -\def\@pyranbB{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10 - \yl@ydiff=60 - \put(0,0){\line(1,-1){120}}% single bond at 5 - \putratom{130}{-180}{\@memberb}% left type - \else\if\@tmpc a%(a) alpha - \yl@xdiff=32 - \yl@ydiff=72 - \put(0,0){\line(0,-1){118}}% single bond alpha (down) - \putlratom{-32}{-190}{\@memberb}% left & right type - \else\if\@tmpc b%(b) beta - \yl@xdiff=32 - \yl@ydiff=-12 - \put(0,0){\line(0,1){118}}% single bond beta (up) - \putlratom{-32}{130}{\@memberb}% left & right type - \fi\fi\fi%\fi\fi% - \else \if\@tmpb D%double bond: Added by SF 1998/10/25 - \yl@xdiff=0 - \yl@ydiff=-20 - \put(15,15){\line(-1,1){120}}% double bond at 5 - \put(0,-15){\line(-1,1){120}}% double bond at 5 - \putlatom{-120}{140}{\@memberb}%left type - \else% - \yl@xdiff=10 - \yl@ydiff=-20 - \put(0,0){\line(-1,1){120}}% single bond at 1 - \putlatom{-130}{140}{\@memberb}% left type -\fi\fi}% -% \end{macrocode} -% -% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}} -% \begin{macrocode} -% %%%%%%%%%%%%%%% -% % subst. on 4 % -% %%%%%%%%%%%%%%% -\def\@pyranc{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10 - \yl@ydiff=30 - \put(0,0){\line(-1,0){120}}% single bond at 4 - \putlatom{-130}{-30}{\@memberb}% left type - \else\if\@tmpc a%(a) alpha - \yl@xdiff=-32 - \yl@ydiff=72 - \put(0,0){\line(0,-1){118}}% single bond at 4 alpha (down) - \putlatom{32}{-190}{\@memberb}% left type - \else\if\@tmpc b%(e) beta - \yl@xdiff=-32 - \yl@ydiff=-12 - \put(0,0){\line(0,1){118}}% single bond at 4 beta (up) - \putlatom{32}{130}{\@memberb}% left type - \else\if\@tmpc A% alpha - \yl@xdiff=10 - \yl@ydiff=60 - \put(0,0){\line(-1,-1){120}}% single bond at 4 - \putlatom{-130}{-180}{\@memberb}% left type - \else\if\@tmpc B% beta - \yl@xdiff=10 - \yl@ydiff=10 - \put(0,0){\line(-1,1){120}}% single bond at 4 - \putlatom{-130}{110}{\@memberb}% left type - \fi\fi\fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=10 - \yl@ydiff=30 - \put(0,-15){\line(-1,0){120}}% double bond at 4 - \put(0,15){\line(-1,0){120}}% double bond at 4 - \putlatom{-130}{-30}{\@memberb}% left type - \else% - \yl@xdiff=10 - \yl@ydiff=30 - \put(0,0){\line(-1,0){120}}% single bond at 4 - \putlatom{-130}{-30}{\@memberb}% left type - \fi\fi}% -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \section{Pyranose derivatives} -% -% The standard skeleton of pyranose is selected -% to have the following locant numbers. -% -% \begin{verbatim} -% *********************** -% * pyranose derivative * -% *********************** -% -% The following numbering is adopted in this macro. -% -% 5 e 6 -% ----O -% d * * f -% the original point ===> 4 * * 1 -% (0,0) * * a -% c ----- -% 3 b 2 -% \end{verbatim} -% -% The macro |\pyranose| has an argument |SUBSLIST| as well as an optional -% argument |BONDLIST|. -% \begin{verbatim} -% -% \pyranose[BONDLIST]{SUBSLIST} -% -% \end{verbatim} -% -% The |BONDLIST| argument contains one or more -% characters selected from a to f, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% \begin{verbatim} -% -% BONDLIST = -% -% none : mother skeleton -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,6-double bond -% f : 6,1-double bond -% -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents (max 5 substitution positions) -% -% for n = 1 to 5 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nSA : single bond (down) at n-atom (for n=1) -% nSB : single bond (up) at n-atom (for n=1) -% nSa : alpha single bond at n-atom -% nSb : beta single bond at n-atom -% -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \pyranose{1Sb==Cl;2Sa==F} -% \pyranose{1Sb==Cl;4Sa==F;2Sa==CH$_{3}$} -% \pyranose[a]{3Sb==OAc;4Sb==\lmoiety{MeO};5Sb==CH$_{2}$OAc} -% \end{verbatim} -% -% The definition of |\@pyranose| uses a picture environment, in which -% bonds are put directly, while subsituents are typset by using -% the macros |\@pyrana| to |\@pyranc| described above. -% \changes{v1.02}{1998/10/31}{Adding \cs{ylpyranoseposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\pyranose} -% \begin{macro}{\@pyranose} -% \begin{macrocode} -\def\pyranose{\@ifnextchar[{\@pyranose}{\@pyranose[r]}} -\def\@pyranose[#1]#2{% -\@reset@ylsw% -\ylpyranoseposition{#2}% -\def\@@ylii{0}\def\@@yli{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(880,800)(-240,-400) - \iforigpt \put(-240,-400){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `pyranose' origin: (0,0) ---> (240,400)} - \fi% -\fi - \put(0,0){\line(3,5){120}}% %bond 4-5 - \put(120,200){\line(1,0){252}}% %bond 5-6 - \put(532,0){\line(-3,5){96}}% %bond 1-6 - {\thicklines% - \put(0,0){\line(3,-5){120}}% %bond 4-3 - \put(412,-200){\line(3,5){120}}% %bond 2-1 - \put(120,-200){\line(1,0){292}}}% %bond 3-2 - \putratom{382}{160}{O}% left type - % -\@tfor\member:=#1\do{% -\if\member r%no endcyclic double bonds -\else \if\member a% - \put(400,-150){\line(3,5){90}}% %double bond 2-1 -\else \if\member b% - \put(150,-160){\line(1,0){232}}% %double bond 3-2 -\else \if\member c% - \put(50,-12){\line(3,-5){90}}% %double bond 4-3 -\else \if\member d% - \put(50,12){\line(3,5){90}}% %double bond 4-5 -\else \if\member e% - \put(150,160){\line(1,0){232}}% %double bond 5-6 -\else \if\member f% - \put(482,12){\line(-3,5){70}}% %double bond 1-6 -\fi\fi\fi\fi\fi\fi\fi}% -% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa%0 omit - \or \put(532,0){\@pyrana}% subst. on 1 - \or \put(412,-200){\@pyranb}% subst. on 2 - \or \put(120,-200){\@pyranbb}% subst. on 3 - \or \put(0,0){\@pyranc}% subst. on 4 - \or \put(120,200){\@pyranbB}% subst. on 5 -\fi %end of ifcase -\fi\fi% -}\end{picture}}% %end of \pyranose macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The command |\ylpyranoseposition| is to obtain the shift values -% |\@ylii| and |\@yli| which are used for shifting the standard -% point of a substituent. -% \changes{v1.02}{1998/10/25}{New commands for setting substituents} -% -% \begin{macro}{\ylpyranoseposition} -% \begin{macrocode} -\def\ylpyranoseposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa%0 omit - \or\gdef\@ylii{-532}\gdef\@yli{0}\global\@ylswtrue% subst. on 1 - \or\gdef\@ylii{-412}\gdef\@yli{200}\global\@ylswtrue% subst. on 2 - \or\gdef\@ylii{-120}\gdef\@yli{200}\global\@ylswtrue% subst. on 3 - \or\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 4 - \or\gdef\@ylii{-120}\gdef\@yli{-200}\global\@ylswtrue% subst. on 5 -\fi%end of ifcase -\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% -% \section{Furanose derivatives} -% -% The standard skeleton of furanose is selected -% to have the following locant numbers. -% -% \begin{verbatim} -% *********************** -% * furanose derivative * -% *********************** -% -% The following numbering is adopted in this macro. -% -% 5 -% O -% d * * e -% the original point ===> 4 * * 1 -% (0,0) * * a -% c ----- -% 3 b 2 -% -% \end{verbatim} -% -% The macro |\furanose| has an argument |SUBSLIST| as well as an optional -% argument |BONDLIST|. -% \begin{verbatim} -% \furanose[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one or more -% characters selected from a to e, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% \begin{verbatim} -% BONDLIST = -% -% none : mother skeleton -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,6-double bond -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% SUBSLIST: list of substituents (max 4 substitution positions) -% -% for n = 1 to 4 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nSA : single bond (down) at n-atom (for n=1) -% nSB : single bond (up) at n-atom (for n=1) -% nSa : alpha single bond at n-atom -% nSb : beta single bond at n-atom -%\end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \furanose{1Sa==Cl;2Sb==F} -% -% \end{verbatim} -% -% The definition of |\@furanose| uses a picture environment, in which -% bonds are put directly, while subsituents are typset by using -% the macros |\@pyrana| to |\@pyranc| described above. -% \changes{v1.02}{1998/10/31}{Adding \cs{ylfuranoseposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\furanose} -% \begin{macro}{\@furanose} -% \begin{macrocode} -\def\furanose{\@ifnextchar[{\@furanose}{\@furanose[r]}} -\def\@furanose[#1]#2{% -\@reset@ylsw% -\ylfuranoseposition{#2}% -\def\@@ylii{0}\def\@@yli{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(880,800)(-240,-400) - \iforigpt \put(-240,-400){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `furanose' origin: (0,0) ---> (240,400)} -\fi - \fi% - \put(0,0){\line(5,3){236}}% %bond 4-5 - \put(532,0){\line(-5,3){236}}% %bond 1-5 - {\thicklines% - \put(0,0){\line(3,-5){120}}% %bond 4-3 - \put(412,-200){\line(3,5){120}}% %bond 2-1 - \put(120,-200){\line(1,0){292}}}% %bond 3-2 - \putratom{236}{130}{O}% left type -% -\@tfor\member:=#1\do{% -\if\member r%no endcyclic double bonds -\else \if\member a% - \put(400,-150){\line(3,5){80}}% %double bond 2-1 -\else \if\member b% - \put(150,-160){\line(1,0){232}}% %double bond 3-2 -\else \if\member c% - \put(50,-12){\line(3,-5){80}}% %double bond 4-3 -\else \if\member d% - \put(50,0){\line(5,3){180}}% %double bond 4-5 -\else \if\member e% - \put(482,0){\line(-5,3){180}}% %double bond 1-5 -\fi\fi\fi\fi\fi\fi}% -% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa%0 omit - \or \put(532,0){\@pyrana}% subst. on 1 - \or \put(412,-200){\@pyranb}% subst. on 2 - \or \put(120,-200){\@pyranbb}% subst. on 3 - \or \put(0,0){\@pyranc}% subst. on 4 -\fi%end of ifcase -\fi\fi% -}\end{picture}}% %end of \furanose macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The command |\ylfuranoseposition| is to obtain the shift values -% |\@ylii| and |\@yli| which are used for shifting the standard -% point of a substituent. -% \changes{v1.02}{1998/10/23}{New commands for setting substituents} -% -% \begin{macro}{\ylfuranoseposition} -% \begin{macrocode} -\def\ylfuranoseposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa%0 omit - \or\gdef\@ylii{-532}\gdef\@yli{0}\global\@ylswtrue% subst. on 1 - \or\gdef\@ylii{-412}\gdef\@yli{200}\global\@ylswtrue% subst. on 2 - \or\gdef\@ylii{-120}\gdef\@yli{200}\global\@ylswtrue% subst. on 3 - \or\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 4 -\fi%end of ifcase -\fi\fi\fi}}% -% -% \end{macrocode} -% \end{macro} -% -% \Finale -% -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/hcycle.ins b/Master/texmf-dist/source/latex/xymtex/hcycle.ins deleted file mode 100644 index 6923dd23dae..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/hcycle.ins +++ /dev/null @@ -1,50 +0,0 @@ -\def\batchfile{hcycle.ins} -\input docstrip.tex -\preamble - -This is a generated file. - -Copyright 1996,1998 by Shinsaku Fujita - -This file is part of the XyMTeX system. -======================================= - -Version 1.01 Released on August 16, 1996 -Version 1.02 Released on October 31, 1996 (private version) -Version 2.00 Released on December 25, 1998 - -Copyright (C) 1996,1998 by Shinsaku Fujita, all rights reserved. -This style file is created for drawing chemical structural formulas -This style file is to be contained in the ``xymtex'' directory which -is an input directory for TeX. - -Copying of this file is authorized only if either - - (1) you make absolutely no changes to your copy, including name and - directory name - (2) if you do make changes, - (a) you name it something other than the names included in the - ``xymtex'' directory and - (b) you acknowledge the original name. - This restriction ensures that all standard styles are identical. - -======================================= - -This file contains several codes modified from latex.tex (LaTeX2.09) -and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -Copyright 1994 the LaTeX3 project and the individual authors (For further -copyright information see the file legal.txt of the LaTeX2e standard -distribution, and any other copyright indicated in this file.) - -\endpreamble - -\keepsilent - -\generateFile{hcycle.drv}{t}{% - \from{hcycle.dtx}{driver}} - -\generateFile{hcycle.sty}{t}{% - \from{hcycle.dtx}{hcycle}} - -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/hetarom.drv b/Master/texmf-dist/source/latex/xymtex/hetarom.drv deleted file mode 100644 index 28c92655836..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/hetarom.drv +++ /dev/null @@ -1,82 +0,0 @@ -%% -%% This is file `hetarom.drv', -%% generated with the docstrip utility. -%% -%% The original source files were: -%% -%% hetarom.dtx (with options: `driver') -%% -%% This is a generated file. -%% -%% Copyright 1996, 1998, 2000 by Shinsaku Fujita -%% -%% This file is part of the XyMTeX system. -%% ======================================= -%% -%% Version 1.01 Released on August 16, 1996 -%% Version 1.02 Released on October 31, 1998 (private version) -%% Version 2.00 Released on December 25, 1998 -%% Version 2.00a Released on November 11, 2000 -%% -%% Copyright (C) 1996,1998,2000 by Shinsaku Fujita, all rights reserved. -%% This style file is created for drawing chemical structural formulas -%% This style file is to be contained in the ``xymtex'' directory which -%% is an input directory for TeX. -%% -%% Copying of this file is authorized only if either -%% -%% (1) you make absolutely no changes to your copy, including name and -%% directory name -%% (2) if you do make changes, -%% (a) you name it something other than the names included in the -%% ``xymtex'' directory and -%% (b) you acknowledge the original name. -%% This restriction ensures that all standard styles are identical. -%% -%% ======================================= -%% -%% This file contains several codes modified from latex.tex (LaTeX2.09) -%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -%% Copyright 1994 the LaTeX3 project and the individual authors (For further -%% copyright information see the file legal.txt of the LaTeX2e standard -%% distribution, and any other copyright indicated in this file.) -%% -%% File: hetarom.dtx -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -\NeedsTeXFormat{pLaTeX2e} -\ProvidesFile{hetarom.dtx}[1998/12/25 v2.00 XyMTeX{} package file] -\documentclass{ltxdoc} -\GetFileInfo{hetarom.dtx} -\def\UPSILON{\char'7} -\def\XyM{X\kern-.30em\smash{% -\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}} -\def\XyMTeX{\XyM\kern-.1em\TeX} -\title{Heterocycles of vertical type by {\sffamily hetarom.sty} -(\fileversion) of \XyMTeX{}} -\author{Shinsaku Fujita \\ -Department of Chemistry and Materials Technology, \\ -Kyoto Institute of Technology, \\ -Matsugasaki, Sakyoku, Kyoto, 606-8585 Japan -} -\date{\filedate} -\begin{document} - \maketitle - \DocInput{hetarom.dtx} -\end{document} -\endinput -%% -%% End of file `hetarom.drv'. diff --git a/Master/texmf-dist/source/latex/xymtex/hetarom.dtx b/Master/texmf-dist/source/latex/xymtex/hetarom.dtx deleted file mode 100644 index e4c4108c4a2..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/hetarom.dtx +++ /dev/null @@ -1,9028 +0,0 @@ -% \iffalse meta-comment -%% File: hetarom.dtx -% -% Copyright 1993,1996,1998,2000 by Shinsaku Fujita -% -% This file is part of XyMTeX system. -% ------------------------------------- -% -% This file is a successor to: -% -% hetarom.sty -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 1.00} -% \typeout{ -- Released December 1, 1993 by Shinsaku Fujita} -% Copyright (C) 1993 by Shinsaku Fujita, all rights reserved. -% -% This file is a part of the macro package ``XyMTeX'' which has been -% designed for typesetting chemical structural formulas. -% -% This file is to be contained in the ``xymtex'' directory which is -% an input directory for TeX. It is a LaTeX optional style file and -% should be used only within LaTeX, because several macros of the file -% are based on LaTeX commands. -% -% For the review of XyMTeX, see -% (1) Shinsaku Fujita, ``Typesetting structural formulas with the text -% formatter TeX/LaTeX'', Computers and Chemistry, in press. -% The following book deals with an application of TeX/LaTeX to -% preparation of manuscripts of chemical fields: -% (2) Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' -% Tokyo Kagaku Dozin, Tokyo (1993) [in Japanese]. -% -% Copying of this file is authorized only if either -% (1) you make absolutely no changes to your copy, including name and -% directory name; or -% (2) if you do make changes, -% (a) you name it something other than the names included in the -% ``xymtex'' directory and -% (b) you are requested to leave this notice intact. -% This restriction ensures that all standard styles are identical. -% -% Please report any bugs, comments, suggestions, etc. to: -% Shinsaku Fujita, -% Ashigara Research Laboratories, Fuji Photo Film Co., Ltd., -% Minami-Ashigara, Kanagawa-ken, 250-01, Japan. -% -% New address: -% Shinsaku Fujita, -% Department of Chemistry and Materials Technology, -% Kyoto Institute of Technology, \\ -% Matsugasaki, Sakyoku, Kyoto, 606 Japan -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{hetarom} -% \def\versi@ndate{December 01, 1993} -% \def\versi@nno{ver1.00} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{hetarom} -% \def\versi@ndate{August 16, 1996} -% \def\versi@nno{ver1.01} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{hetarom} -% \def\versi@ndate{October 31, 1998} -% \def\versi@nno{ver1.02} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{hetarom} -% \def\versi@ndate{December 25, 1998} -% \def\versi@nno{ver2.00} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% -% \fi -% -% \CheckSum{9447} -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -% -% \setcounter{StandardModuleDepth}{1} -% -% \StopEventually{} -% \MakeShortVerb{\|} -% -% \iffalse -% \changes{v1.01}{1996/06/27}{first edition for LaTeX2e} -% \changes{v1.02}{1998/10/31}{revised edition for LaTeX2e} -% \changes{v2.00}{1998/12/25}{enhanced edition for LaTeX2e} -% \changes{v2.00a}{1998/11/11}{bug fix} -% \fi -% -% \iffalse -%<*driver> -\NeedsTeXFormat{pLaTeX2e} -% \fi -\ProvidesFile{hetarom.dtx}[1998/12/25 v2.00 XyMTeX{} package file] -% \iffalse -\documentclass{ltxdoc} -\GetFileInfo{hetarom.dtx} -% -% %%XyMTeX Logo: Definition 2%%% -\def\UPSILON{\char'7} -\def\XyM{X\kern-.30em\smash{% -\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}} -\def\XyMTeX{\XyM\kern-.1em\TeX} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\title{Heterocycles of vertical type by {\sffamily hetarom.sty} -(\fileversion) of \XyMTeX{}} -\author{Shinsaku Fujita \\ -Department of Chemistry and Materials Technology, \\ -Kyoto Institute of Technology, \\ -Matsugasaki, Sakyoku, Kyoto, 606-8585 Japan -% % (old address) -% % Ashigara Research Laboratories, -% % Fuji Photo Film Co., Ltd., \\ -% % Minami-Ashigara, Kanagawa, 250-01 Japan -} -\date{\filedate} -% -\begin{document} - \maketitle - \DocInput{hetarom.dtx} -\end{document} -% -% \fi -% -% \section{Introduction}\label{hetarom:intro} -% -% \subsection{Options for {\sffamily docstrip}} -% -% \DeleteShortVerb{\|} -% \begin{center} -% \begin{tabular}{|l|l|} -% \hline -% \emph{option} & \emph{function}\\ \hline -% hetarom & hetarom.sty \\ -% driver & driver for this dtx file \\ -% \hline -% \end{tabular} -% \end{center} -% \MakeShortVerb{\|} -% -% \subsection{Version Information} -% -% \begin{macrocode} -%<*hetarom> -\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00} -\typeout{ -- Released December 25, 1998 by Shinsaku Fujita} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\def\j@urnalname{hetarom} -\def\versi@ndate{November 11, 2000} -\def\versi@nno{ver2.00a} -\def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>% -\space[\copyrighth@lder]} -% \end{macrocode} -% -% \section{List of commands for hetarom.sty} -% -% \begin{verbatim} -% ********************************* -% * hetarom.sty: list of commands * -% ********************************* -% -% -% -% \if@gclip \@gclipfalse \@gcliptrue -% \if@hclip \@hclipfalse \@hcliptrue -% \if@iclip \@iclipfalse \@icliptrue -% \if@jclip \@jclipfalse \@jcliptrue -% \iniflag -% \iniatom -% \aaa -% \bbb -% \ccc -% \ddd -% \eee -% \fff -% \ggg -% \hhh -% \iii -% \jjj -% \end{verbatim} -% -% \begin{verbatim} -% -% -% Setting inner double bonds -% -% \bonda -% \bondb -% \bondc -% \bondd -% \bonde -% \bondf -% \bondhoriz -% \bondhorizi -% -% Setting skeletal bonds -% -% \skbonda -% \skbondf -% \skbondc -% \skbondd -% \skbondb -% \skbonde -% \skbondhoriz -% \skbondhorizi -% -% Setting dotted skeletal bonds -% -% \dotskbonda -% \dotskbondf -% \dotskbondc -% \dotskbondd -% \dotskbondb -% \dotskbonde -% \dotskbondhoriz -% \dotskbondhorizi -% -% Basic Macros -% -% \sixheterov \@sixheterov -% \sixheterovi \@sixheterovi -% -% Application Macros -% -% \pyridinev \@pyridinev -% \pyridinevi \@pyridinevi -% \pyrazinev \@pyrazinev -% \pyrimidinev \@pyrimidinev -% \pyrimidinevi \@pyrimidinevi -% \pyridazinev \@pyridazinev -% \pyridazinevi \@pyridazinevi -% \triazinev \@triazinev -% \triazinevi \@triazinevi -% \end{verbatim} -% -% \begin{verbatim} -% -% -% Basic Macros -% -% \fiveheterov \@fiveheterov -% \fiveheterovi \@fiveheterovi -% -% Application Macros -% -% \pyrrolev \@pyrrolev -% \pyrazolev \@pyrazolev -% \imidazolev \@imidazolev -% \isoxazolev \@isoxazolev -% \oxazolev \@oxazolev -% -% \furanv \@furanv -% \thiophenev \@thiophenev -% -% \pyrrolevi \@pyrrolevi -% \pyrazolevi \@pyrazolevi -% \imidazolevi \@imidazolevi -% \isoxazolevi \@isoxazolevi -% \oxazolevi \@oxazolevi -% -% \furanvi \@furanvi -% \thiophenevi \@thiophenevi -% \end{verbatim} -% -% \begin{verbatim} -% -% -% Basic Macros -% -% \decaheterov \@decaheterov -% \decaheterovi \@decaheterovi -% \decaheterovb \@decaheterovb -% \decaheterovt \@decaheterovt -% -% Adjustment Macros (for structures as substituents) -% \changes{v1.02}{1998/10/16}{Newly added command} -% -% \clipdetection -% \ylhetposition -% \ylhetpositionb -% \ylhetpositiont -% -% Application Macros -% -% \quinolinev \@quinolinev -% \quinolinevi \@quinolinevi -% \quinolinevb \@quinolinevb -% \quinolinevt \@quinolinevt -% -% \isoquinolinev \@isoquinolinev -% \isoquinolinevi \@isoquinolinevi -% \isoquinolinevb \@isoquinolinevb -% \isoquinolinevt \@isoquinolinevt -% -% \quinoxalinev \@quinoxalinev -% \quinoxalinevi \@quinoxalinevi -% \quinoxalinevb \@quinoxalinevb -% \quinoxalinevt \@quinoxalinevt -% -% \quinazolinev \@quinazolinev -% \quinazolinevi \@quinazolinevi -% \quinazolinevb \@quinazolinevb -% \quinazolinevt \@quinazolinevt -% -% \cinnolinev \@cinnolinev -% \cinnolinevi \@cinnolinevi -% \cinnolinevb \@cinnolinevb -% \cinnolinevt \@cinnolinevt -% -% \pteridinev \@pteridinev -% \pteridinevi \@pteridinevi -% \pteridinevb \@pteridinevb -% \pteridinevt \@pteridinevt -% \end{verbatim} -% -% \begin{verbatim} -% -% -% Basic Macros -% -% \nonaheterov \@nonaheterov -% \nonaheterovi \@nonaheterovi -% -% Application Macros -% -% \purinev \@purinev -% \purinevi \@purinevi -% \indolev \@indolev -% \indolevi \@indolevi -% \indolizinev \@indolizinev -% \indolizinevi \@indolizinevi -% \isoindolev \@isoindolev -% \isoindolevi \@isoindolevi -% \benzofuranev \@benzofuranev -% \benzofuranevi \@benzofuranevi -% \isobenzofuranev \@isobenzofuranev -% \isobenzofuranevi \@isobenzofuranevi -% \benzoxazolev \@benzoxazolev -% \benzoxazolevi \@benzoxazolevi -% \end{verbatim} -% -% \begin{verbatim} -% -% -% Setting bonds -% \bondshoriz \bondshorizi -% \skbondshoriz \skbondshorizi -% -% Basic Macros -% -% \fourhetero \@fourhetero -% \end{verbatim} -% -% \begin{verbatim} -% -% -% Setting inner double bonds -% -% \bondtria \bondtrib -% \skbondtria \skbondtrib -% \Bondtria \Bondtrib -% \skBondtria \skBondtrib -% -% Basic Macros -% -% \fourhetero \@fourhetero -% \set@fusionadd@fourv \set@fusion@fourv -% -% -% -% \threehetero \@threehetero -% \threeheteroi \@threeheteroi -% -% \threeheterov \@threeheterov -% \threeheterovi \@threeheterovi -% -% \set@fusionadd@threev \set@fusion@threev -% \set@fusionadd@threevi \set@fusion@threevi -% \end{verbatim} -% -% \begin{verbatim} -% -% -% -% \sixunitv \@sixunitv -% \fiveunitv \@fiveunitv -% \fiveunitvi \@fiveunitvi -% \end{verbatim} -% -% \section{Input of basic macros} -% -% To assure the compatibility to \LaTeX{}2.09 (the native mode), -% the commands added by \LaTeXe{} have not been used in the resulting sty -% files ({\sf hetarom.sty} for the present case). Hence, the combination -% of |\input| and |\@ifundefined| is used to crossload sty -% files ({\sf chemstr.sty} for the present case) in place of the -% |\RequirePackage| command of \LaTeXe{}. -% -% \begin{macrocode} -% ************************* -% * input of basic macros * -% ************************* -\@ifundefined{setsixringv}{\input chemstr.sty\relax}{}% -\unitlength=0.1pt% -% \end{macrocode} -% -% The following switches and macros have been moved to {\sf chemstr.sty}; -% hence, they are commented out. -% \begin{macrocode} -% % **************************** -% % * various flags (switches) * -% % **************************** -% \newif\if@gclip \@gclipfalse% -% \newif\if@hclip \@hclipfalse% -% \newif\if@iclip \@iclipfalse% -% \newif\if@jclip \@jclipfalse% -% \def\iniflag{% -% \@aclipfalse \@bclipfalse\@cclipfalse\@clipfalse\@eclipfalse% -% \@fclipfalse\@gclipfalse\@hclipfalse\@iclipfalse\@jclipfalse% -% \@clipfusefalse}% -% \def\iniatom{% -% \def\aaa{}\def\bbb{}\def\ccc{}\def\ddd{}\def\eee{}\def\fff{}% -% \def\ggg{}\def\hhh{}\def\iii{}\def\jjj{}% -% \def\@aaa{}\def\@bbb{}\def\@ccc{}\def\@ddd{}\def\@eee{}\def\@fff{}% -% }% -% \def\resetbdsw{\gdef\@aaa{a}\gdef\@bbb{b}\gdef\@ccc{c}% -% \gdef\@ddd{d}\gdef\@eee{e}\gdef\@fff{f}}% -% \end{macrocode} -% -% \section{Initialization} -% -% \begin{macrocode} -\iniatom% -% \end{macrocode} -% -% \section{Macros for setting bonds} -% \subsection{Inner double bonds} -% -% The macros |\sixhetero| and |\fivehetero| use internal macros for setting -% inner double bonds in accordance with the presence or the absence of -% hetero atoms. During the processes of such setting, -% the inner macros |\bonda| to |\bondf| are used to set a bond -% on each edge of a six- or five-membered ring; and -% the inner macros |\bondz| to |\bondzi| draw horizontal bonds -% of a five-membered ring. -% -% Note that -% comments (conerning locant numbers) on the end of each row have -% lost the exact meaning, -% since such a command moiety is used in many macros after copying. -% -% \begin{verbatim} -% ****************************** -% * setting inner double bonds * -% ****************************** -% The following numbering is adopted in these macros. -% aaa -% 1 -% f * a -% fff 6 * * 2 bbb -% e | | b -% | | -% eee 5 * * 3 ccc -% d * c -% 4 <===== the original point -% ddd -% \end{verbatim} -% -% \begin{macro}{\bonda} -% The macro |\bonda| refers to the control sequences representing -% atoms on both of the terminal vertices (|\aaa| and |\bbb|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -% bond between 1 and 2 -\def\bonda{% - \ifx\aaa\empty% - \ifx\bbb\empty% - \put(6,364){\line(5,-3){126}}% %double bond 1-2 - \else% - \put(6,364){\line(5,-3){100}}% %double bond 1-2 - \fi% - \else% - \ifx\bbb\empty% - \put(35,340){\line(5,-3){100}}% %double bond 1-2 - \else% - \put(35,352){\line(5,-3){100}}% %double bond 1-2 - \fi% % line <1OO not available - \fi% - }% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\bondb} -% The macro |\bondb| refers to the control sequences representing -% atoms on both of the terminal vertices (|\bbb| and |\ccc|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -% bond between 3 and 2 - \def\bondb{% - \ifx\bbb\empty% - \ifx\ccc\empty% - \put(138,129){\line(0,1){148}}% %double bond 3-2 - \else% - \put(138,143){\line(0,1){134}}% %double bond 3-2 - \fi% - \else% - \ifx\ccc\empty% - \put(138,129){\line(0,1){134}}% %double bond 3-2 - \else% - \put(138,143){\line(0,1){110}}% %double bond 3-2 - \fi% - \fi% -}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\bondc} -% The macro |\bondc| refers to the control sequences representing -% atoms on both of the terminal vertices (|\ddd| and |\ccc|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -% bond between 4 and 3 - \def\bondc{% - \ifx\ddd\empty% - \ifx\ccc\empty% - \put(6,42){\line(5,3){126}} %double bond 4-3 - \else% - \put(6,42){\line(5,3){100}} %double bond 4-3 - \fi% - \else% - \ifx\ccc\empty% - \put(35,66){\line(5,3){100}}% %double bond 4-3 - \else% - \put(35,60){\line(5,3){100}}% %double bond 4-3 - \fi% % line <1OO not available - \fi% -}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\bondd} -% The macro |\bondd| refers to the control sequences representing -% atoms on both of the terminal vertices (|\ddd| and |\eee|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -% bond between 4 and 5 - \def\bondd{% - \ifx\ddd\empty% - \ifx\eee\empty% - \put(-6,42){\line(-5,3){126}}% %double bond 4-5 - \else% - \put(-6,42){\line(-5,3){100}}% %double bond 4-5 - \fi% - \else% - \ifx\eee\empty% - \put(-35,66){\line(-5,3){100}}% %double bond 4-5 - \else% - \put(-35,60){\line(-5,3){100}}% %double bond 4-5 - \fi% % line <1OO not available - \fi% - }% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\bonde} -% The macro |\bonde| refers to the control sequences representing -% atoms on both of the terminal vertices (|\fff| and |\eee|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -% bond between 5 and 6 -\def\bonde{% - \ifx\fff\empty% - \ifx\eee\empty% - \put(-138,129){\line(0,1){148}}% %double bond 5-6 - \else% - \put(-138,143){\line(0,1){134}}% %double bond 5-6 - \fi% - \else% - \ifx\eee\empty% - \put(-138,129){\line(0,1){134}}% %double bond 5-6 - \else% - \put(-138,143){\line(0,1){110}}% %double bond 5-6 - \fi% - \fi% -}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\bondf} -% The macro |\bondf| refers to the control sequences representing -% atoms on both of the terminal vertices (|\aaa| and |\fff|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -% bond between 1 and 6 -\def\bondf{% - \ifx\aaa\empty% - \ifx\fff\empty% - \put(-6,364){\line(-5,-3){126}}% %double bond 1-6 - \else% - \put(-6,364){\line(-5,-3){100}}% %double bond 1-6 - \fi% - \else% - \ifx\fff\empty% - \put(-35,340){\line(-5,-3){100}}% %double bond 1-6 - \else% - \put(-35,352){\line(-5,-3){100}}% %double bond 1-6 - \fi% % line <1OO not available - \fi% -}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\bondz} -% The macro |\bondz| refers to the control sequences representing -% atoms on both of the terminal vertices (|\fff| and |\bbb|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -% horizontal inner bond for five-membered rings -\def\bondhoriz{% - \ifx\fff\empty% - \ifx\bbb\empty% - \put(-138,270){\line(1,0){277}}% %double bond 4-3 - \else% - \put(-138,270){\line(1,0){258}}% %double bond 4-3 - \fi% - \else% - \ifx\bbb\empty% - \put(-120,270){\line(1,0){258}}% %double bond 4-3 - \else% - \put(-120,270){\line(1,0){239}}% %double bond 4-3 - \fi% - \fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\bondzi} -% The macro |\bondzi| refers to the control sequences representing -% atoms on both of the terminal vertices (|\eee| and |\ccc|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -% horizontal inner bond for five-membered rings (inverse type) -\def\bondhorizi{% - \ifx\eee\empty% - \ifx\ccc\empty% - \put(-138,136){\line(1,0){277}}% %double bond 4-3 - \else% - \put(-138,136){\line(1,0){258}}% %double bond 4-3 - \fi% - \else% - \ifx\ccc\empty% - \put(-120,136){\line(1,0){258}}% %double bond 4-3 - \else% - \put(-120,136){\line(1,0){239}}% %double bond 4-3 - \fi% - \fi}% -% \end{macrocode} -% \end{macro} -% -% \subsection{Skeletal bonds} -% -% The macros |\sixhetero| and |\fivehetero| use inner macros for setting -% skeletal bonds in accordance with the presence or the absence of -% hetero atoms. During the processes of such setting, -% the inner macros |\skbonda| to |\skbondf| are used to set a bond -% on each edge of a six- or five-membered ring; and -% the inner macros |\skbondz| to |\skbondzi| draw horizontal bonds -% of a five-membered ring. -% -% \begin{verbatim} -% ************************** -% * setting skeletal bonds * -% ************************** -% The following numbering is adopted in this macro. -% aaa -% 1 -% f * a -% fff 6 * * 2 bbb -% e | | b -% | | -% eee 5 * * 3 ccc -% d * c -% 4 <===== the original point -% ddd -% -% \end{verbatim} -% -% \begin{macro}{\skbonda} -% The macro |\skbonda| refers to the control sequences representing -% atoms on both of the terminal vertices (|\aaa| and |\bbb|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%bond between 1 and 2 -\def\skbonda{% - \ifx\aaa\empty% - \ifx\bbb\empty% - \put(0,406){\line(5,-3){171}}% %bond 1-2 - \else% - \put(0,406){\line(5,-3){136}}% %bond 1-2 - \fi% - \else% - \ifx\bbb\empty% - \put(35,385){\line(5,-3){136}}% %bond 1-2 - \else% - \put(35,385){\line(5,-3){100}}% %bond 1-2 - \fi% - \fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\skbondf} -% The macro |\skbonda| refers to the control sequences representing -% atoms on both of the terminal vertices (|\aaa| and |\fff|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%bond between 1 and 6 -\def\skbondf{% - \ifx\aaa\empty% - \ifx\fff\empty% - \put(0,406){\line(-5,-3){171}}% %bond 1-6 - \else% - \put(0,406){\line(-5,-3){136}}% %bond 1-6 - \fi% - \else% - \ifx\fff\empty% - \put(-35,385){\line(-5,-3){136}}% %bond 1-6 - \else% - \put(-35,385){\line(-5,-3){100}}% %bond 1-6 - \fi% - \fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\skbondc} -% The macro |\skbondc| refers to the control sequences representing -% atoms on both of the terminal vertices (|\ccc| and |\ddd|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%bond between 4 and 3 -\def\skbondc{% - \ifx\ddd\empty% - \ifx\ccc\empty% - \put(0,0){\line(5,3){171}}% %bond 4-3 - \else% - \put(0,0){\line(5,3){136}}% %bond 4-3 - \fi% - \else% - \ifx\ccc\empty% - \put(35,21){\line(5,3){138}}% %bond 4-3 - \else% - \put(35,21){\line(5,3){100}}% %bond 4-3 - \fi% - \fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\skbondd} -% The macro |\skbondd| refers to the control sequences representing -% atoms on both of the terminal vertices (|\ddd| and |\eee|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%bond between 4 and 5 -\def\skbondd{% - \ifx\ddd\empty% - \ifx\eee\empty% - \put(0,0){\line(-5,3){171}}% %bond 4-5 - \else% - \put(0,0){\line(-5,3){136}}% %bond 4-5 - \fi% - \else% - \ifx\eee\empty% - \put(-35,21){\line(-5,3){138}}% %bond 4-5 - \else% - \put(-35,21){\line(-5,3){100}}% %bond 4-5 - \fi% - \fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\skbondb} -% The macro |\skbondb| refers to the control sequences representing -% atoms on both of the terminal vertices (|\bbb| and |\ccc|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%bond between 3 and 2 -\def\skbondb{% - \ifx\bbb\empty%% - \ifx\ccc\empty%% - \put(171,103){\line(0,1){200}}% %bond 3-2 - \else% - \put(171,143){\line(0,1){160}}% %bond 3-2 - \fi% - \else% - \ifx\ccc\empty%% - \put(171,103){\line(0,1){150}}% %bond 3-2 - \else% - \put(171,143){\line(0,1){110}}% %bond 3-2 - \fi% - \fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\skbonde} -% The macro |\skbonde| refers to the control sequences representing -% atoms on both of the terminal vertices (|\eee| and |\fff|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%bond between 5 and 6 -\def\skbonde{% - \ifx\eee\empty% - \ifx\fff\empty% - \put(-171,103){\line(0,1){200}}% %bond 5-6 - \else% - \put(-171,103){\line(0,1){150}}% %bond 5-6 - \fi% - \else% - \ifx\fff\empty% - \put(-171,143){\line(0,1){160}}% %bond 5-6 - \else% - \put(-171,143){\line(0,1){110}}% %bond 5-6 - \fi% - \fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\skbondhoriz} -% The macro |\skbondhoriz| refers to the control sequences representing -% atoms on both of the terminal vertices (|\fff| and |\bbb|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%horizontal bond for five-membered rings -\def\skbondhoriz{% - \ifx\fff\empty% - \ifx\bbb\empty% - \put(-171,303){\line(1,0){342}}% %bond 4-3 - \else% - \put(-171,303){\line(1,0){300}}% %bond 4-3 - \fi% - \else% - \ifx\bbb\empty% - \put(171,303){\line(-1,0){300}}% %bond 4-3 - \else% - \put(-129,303){\line(1,0){258}}% %bond 4-3 - \fi% - \fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\skbondhorizi} -% The macro |\skbondhorizi| refers to the control sequences representing -% atoms on both of the terminal vertices (|\eee| and |\ccc|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%horizontal bond for five-membered rings (inverse type) -\def\skbondhorizi{% - \ifx\eee\empty% - \ifx\ccc\empty% - \put(-171,103){\line(1,0){342}}% %bond 4-3 - \else% - \put(-171,103){\line(1,0){300}}% %bond 4-3 - \fi% - \else% - \ifx\ccc\empty% - \put(171,103){\line(-1,0){300}}% %bond 4-3 - \else% - \put(-129,103){\line(1,0){258}}% %bond 4-3 - \fi% - \fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\set@outskel@sixv} -% The macro |\set@outskel@sixv| is to typeset a series of -% outer-skeleton bonds to six rings. It is -% used in |\sixheterov| and |\sixheterovi|. -% -% \begin{macrocode} -\def\set@outskel@sixv{% - \skbonda% bond between 1 and 2 - \skbondf% bond between 1 and 6 - \skbondc% bond between 4 and 3 - \skbondd% bond between 4 and 5 - \skbondb% bond between 3 and 2 - \skbonde% bond between 5 and 6 -} -% \end{macrocode} -% \end{macro} -% -% \subsection{Dotted Skeletal Bonds} -% -% The macros |\sixfusev| etc. use inner macros for setting -% skeletal bonds in accordance with the presence or the absence of -% hetero atoms. During the processes of such setting, -% the inner macros |\dotskbonda| to |\dotskbondf| are used -% to set a dotted bond on each edge of a six- or five-membered ring. -% -% \begin{macro}{\dotskbonda} -% The macro |\dotskbonda| is the dotted couterpart of |\skbonda|, -% which refers to the control sequences representing -% atoms on both of the terminal vertices (|\aaa| and |\bbb|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%bond between 1 and 2 -\def\dotskbonda{% - \ifx\aaa\empty% - \ifx\bbb\empty% - \@ifundefined{dottedline}{% - \put(0,406){\line(5,-3){171}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(0,406)(171,303)}}% - \else% - \@ifundefined{dottedline}{% - \put(0,406){\line(5,-3){136}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(0,406)(136,324)}}% - \fi% - \else% - \ifx\bbb\empty% - \@ifundefined{dottedline}{% - \put(35,385){\line(5,-3){136}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(35,386)(171,303)}}% - \else% - \@ifundefined{dottedline}{% - \put(35,385){\line(5,-3){100}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(35,386)(136,324)}}% - \fi% - \fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\dotskbondb} -% The macro |\dotskbondb| is the dotted couterpart of |\skbondb|, -% which refers to the control sequences representing -% atoms on both of the terminal vertices (|\bbb| and |\ccc|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%bond between 3 and 2 -\def\dotskbondb{% - \ifx\bbb\empty%% - \ifx\ccc\empty%% - \@ifundefined{dottedline}{% - \put(171,103){\line(0,1){200}}% %bond 3-2 - }{{\thicklines% - \dottedline{20}(171,103)(171,303)}}% - \else% - \@ifundefined{dottedline}{% - \put(171,143){\line(0,1){160}}% %bond 3-2 - }{{\thicklines% - \dottedline{20}(171,143)(171,303)}}% - \fi% - \else% - \ifx\ccc\empty%% - \@ifundefined{dottedline}{% - \put(171,103){\line(0,1){150}}% %bond 3-2 - }{{\thicklines% - \dottedline{20}(171,103)(171,253)}}% - \else% - \@ifundefined{dottedline}{% - \put(171,143){\line(0,1){110}}% %bond 3-2 - }{{\thicklines% - \dottedline{20}(171,143)(171,253)}}% - \fi% - \fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\dotskbondc} -% The macro |\dotskbondc| is the dotted couterpart of |\skbondc|, -% which refers to the control sequences representing -% atoms on both of the terminal vertices (|\ccc| and |\ddd|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%bond between 4 and 3 -\def\dotskbondc{% - \ifx\ddd\empty% - \ifx\ccc\empty%% - \@ifundefined{dottedline}{% - \put(0,0){\line(5,3){171}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(0,0)(171,103)}}% - \else% - \@ifundefined{dottedline}{% - \put(0,0){\line(5,3){136}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(0,0)(136,81)}}% - \fi% - \else% - \ifx\ccc\empty% - \@ifundefined{dottedline}{% - \put(35,21){\line(5,3){138}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(35,21)(171,103)}}% - \else% - \@ifundefined{dottedline}{% - \put(35,21){\line(5,3){100}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(35,21)(136,81)}}% - \fi% - \fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\dotskbondd} -% The macro |\dotskbondd| is the dotted couterpart of |\skbondd|, -% which refers to the control sequences representing -% atoms on both of the terminal vertices (|\ddd| and |\eee|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%bond between 4 and 5 -\def\dotskbondd{% - \ifx\ddd\empty% - \ifx\eee\empty% - \@ifundefined{dottedline}{% - \put(0,0){\line(-5,3){171}}% %bond 4-5 - }{{\thicklines% - \dottedline{20}(0,0)(-171,103)}}% - \else% - \@ifundefined{dottedline}{% - \put(0,0){\line(-5,3){136}}% %bond 4-5 - }{{\thicklines% - \dottedline{20}(0,0)(-136,81)}}% - \fi% - \else% - \ifx\eee\empty% - \@ifundefined{dottedline}{% - \put(-35,21){\line(-5,3){138}}% %bond 4-5 - }{{\thicklines% - \dottedline{20}(-35,21)(-171,103)}}% - \else% - \@ifundefined{dottedline}{% - \put(-35,21){\line(-5,3){100}}% %bond 4-5 - }{{\thicklines% - \dottedline{20}(-35,21)(-136,81)}}% - \fi% - \fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\dotskbonde} -% The macro |\dotskbonde| is the dotted couterpart of |\skbonde|, -% which refers to the control sequences representing -% atoms on both of the terminal vertices (|\eee| and |\fff|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%bond between 5 and 6 -\def\dotskbonde{% - \ifx\eee\empty% - \ifx\fff\empty% - \@ifundefined{dottedline}{% - \put(-171,103){\line(0,1){200}}% %bond 5-6 - }{{\thicklines% - \dottedline{20}(-171,103)(-171,303)}}% - \else% - \@ifundefined{dottedline}{% - \put(-171,103){\line(0,1){150}}% %bond 5-6 - }{{\thicklines% - \dottedline{20}(-171,103)(-171,253)}}% - \fi% - \else% - \ifx\fff\empty% - \@ifundefined{dottedline}{% - \put(-171,143){\line(0,1){160}}% %bond 5-6 - }{{\thicklines% - \dottedline{20}(-171,143)(-171,303)}}% - \else% - \@ifundefined{dottedline}{% - \put(-171,143){\line(0,1){110}}% %bond 5-6 - }{{\thicklines% - \dottedline{20}(-171,143)(-171,253)}}% - \fi% - \fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\dotskbondf} -% The macro |\dotskbondf| is the dotted couterpart of |\skbondf|, -% which refers to the control sequences representing -% atoms on both of the terminal vertices (|\aaa| and |\fff|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%bond between 1 and 6 -\def\dotskbondf{% - \ifx\aaa\empty% - \ifx\fff\empty% - \@ifundefined{dottedline}{% - \put(0,406){\line(-5,-3){171}}% %bond 1-6 - }{{\thicklines% - \dottedline{20}(0,406)(-171,303)}}% - \else% - \@ifundefined{dottedline}{% - \put(0,406){\line(-5,-3){136}}% %bond 1-6 - }{{\thicklines% - \dottedline{20}(0,406)(-136,325)}}% - \fi% - \else% - \ifx\fff\empty% - \@ifundefined{dottedline}{% - \put(-35,385){\line(-5,-3){136}}% %bond 1-6 - }{{\thicklines% - \dottedline{20}(-35,385)(-171,303)}}% - \else% - \@ifundefined{dottedline}{% - \put(-35,385){\line(-5,-3){100}}% %bond 1-6 - }{{\thicklines% - \dottedline{20}(-35,385)(-136,325)}}% - \fi% - \fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\dotskbondhoriz} -% The macro |\dotskbondhoriz| is the dotted couterpart of |\skbondhoriz|, -% which refers to the control sequences representing -% atoms on both of the terminal vertices (|\fff| and |\bbb|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%horizontal bond for five-membered rings -\def\dotskbondhoriz{% - \ifx\fff\empty% - \ifx\bbb\empty% - \@ifundefined{dottedline}{% - \put(-171,303){\line(1,0){342}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(-171,303)(171,303)}}% - \else% - \@ifundefined{dottedline}{% - \put(-171,303){\line(1,0){300}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(-171,303)(129,303)}}% - \fi% - \else% - \ifx\bbb\empty% - \@ifundefined{dottedline}{% - \put(171,303){\line(-1,0){300}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(171,303)(-129,303)}}% - \else% - \@ifundefined{dottedline}{% - \put(-129,303){\line(1,0){258}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(-129,303)(129,303)}}% - \fi% - \fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\dotskbondhorizi} -% The macro |\dotskbondhorizi| refers to the control sequences representing -% atoms on both of the terminal vertices (|\eee| and |\ccc|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%horizontal bond for five-membered rings (inverse type) -\def\dotskbondhorizi{% - \ifx\eee\empty% - \ifx\ccc\empty% - \@ifundefined{dottedline}{% - \put(-171,103){\line(1,0){342}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(-171,103)(171,103)}}% - \else% - \@ifundefined{dottedline}{% - \put(-171,103){\line(1,0){300}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(-171,103)(129,103)}}% - \fi% - \else% - \ifx\ccc\empty% - \@ifundefined{dottedline}{% - \put(171,103){\line(-1,0){300}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(171,103)(-129,103)}}% - \else% - \@ifundefined{dottedline}{% - \put(-129,103){\line(1,0){258}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(-129,103)(129,103)}}% - \fi% - \fi}% -% \end{macrocode} -% \end{macro} -% -% The macro |\set@skel@bond| is used in such commands as |\sixheterov| -% and |\sixfusev| for setting skeletal bonds (outer bonds), -% when |\@aaa| etc. (produced by |\csname|...|\endcsname|) are equal -% to `a' etc. (given as \#2). Thinline, thickline and dotted-line -% skeletal bonds are available. -% -% \begin{macro}{\if@skbondlist} -% \begin{macrocode} -\newif\if@skbondlist -\@skbondlistfalse -% \end{macrocode} -% \end{macro}% from fusering.sty to hetarom.sty -% -% \begin{macro}{\set@skel@bond} -% \begin{macrocode} -\def\set@skel@bond#1#2#3{% - \expandafter\if\csname @#2#2#2\endcsname #2\relax%OK - % \if\@aaa #2\relax%OK - \@skbondlistfalse - \@tfor\member:=#1\do{% - \expandafter\twoCH@@R\member//% - \if\@@tmpa #2\relax% - \if\@@tmpb A\relax% - \expandafter\csname dotskbond#3\endcsname% \dotskbonda etc. - \@skbondlisttrue - \else\if\@@tmpb B\relax% - {\thicklines - \expandafter\csname skbond#3\endcsname% \skbonda etc. - }% - \@skbondlisttrue - \fi\fi - \fi% - }% - \if@skbondlist\else - {\thinlines - \expandafter\csname skbond#3\endcsname% \skbonda etc. - }% - \fi% - \else - \expandafter\ifx\csname @#2#2#2\endcsname \empty\relax% - % \ifx\@aaa\empty\relax - \@tfor\member:=#1\do{% - \expandafter\twoCH@@R\member//% - \if\@@tmpa #2\relax% - \XyMTeXWarning{Unavailable bond `#2' in SKBONDLIST}\fi - }% - \fi\fi -}% end of \set@skel@bond -% \end{macrocode} -% \end{macro} -% -% The macro |\set@skel@longbond| is used in |\fivefusev| etc. -% for setting skeletal bonds (outer bonds), when |\@aaa| etc. -% (produced by |\csname|...|\endcsname|) are equal to `a' -% etc. (given as \#2). Thinline, thickline and dotted-line -% skeletal bonds are available. -% -% \begin{macro}{\set@skel@longbond} -% \begin{macrocode} -\def\set@skel@longbond#1#2#3{% - \expandafter\if\csname @#2#2#2\endcsname #2\relax%OK - % \if\@aaa #2\relax%OK - \@skbondlistfalse - \@tfor\member:=#1\do{% - \expandafter\twoCH@@R\member//% - \if\@@tmpa #2\relax% - \if\@@tmpb A\relax% - \expandafter\csname dot#3\endcsname% \dotskbonda etc. - \@skbondlisttrue - \else\if\@@tmpb B\relax% - {\thicklines - \expandafter\csname #3\endcsname% \skbonda etc. - }% - \@skbondlisttrue - \fi\fi - \fi% - }% - \if@skbondlist\else - {\thinlines - \expandafter\csname #3\endcsname% \skbonda etc. - }% - \fi% - \else - \expandafter\ifx\csname @#2#2#2\endcsname \empty\relax% - % \ifx\@aaa\empty\relax - \@tfor\member:=#1\do{% - \expandafter\twoCH@@R\member//% - \if\@@tmpa #2\relax% - \XyMTeXWarning{Unavailable bond `#2' in SKBONDLIST}\fi - }% - \fi\fi -}% end of \set@skel@longbond -% \end{macrocode} -% \end{macro} -% -% The macro |\@bond@@omit| is used in |\sixheterov| etc. -% for detecting omitted bonds, where |\@aaa| etc. are empty if -% they are omitted. -% -% \begin{macro}{\@bond@@omit} -% \begin{macrocode} -\def\@bond@@omit#1{% -\@tfor\memBer:=#1\do{% -\if\memBer a\relax\gdef\@aaa{}\fi% -\if\memBer A\relax\gdef\@aaa{}\fi% -\if\memBer b\relax\gdef\@bbb{}\fi% -\if\memBer B\relax\gdef\@bbb{}\fi% -\if\memBer c\relax\gdef\@ccc{}\fi% -\if\memBer C\relax\gdef\@ccc{}\fi% -\if\memBer d\relax\gdef\@ddd{}\fi% -\if\memBer D\relax\gdef\@ddd{}\fi% -\if\memBer e\relax\gdef\@eee{}\fi% -\if\memBer E\relax\gdef\@eee{}\fi% -\if\memBer f\relax\gdef\@fff{}\fi% -\if\memBer F\relax\gdef\@fff{}\fi% -\if\memBer g\relax\gdef\@ggg{}\fi% -\if\memBer G\relax\gdef\@ggg{}\fi% -\if\memBer h\relax\gdef\@hhh{}\fi% -\if\memBer H\relax\gdef\@hhh{}\fi% -\if\memBer i\relax\gdef\@iii{}\fi% -\if\memBer I\relax\gdef\@iii{}\fi% -\if\memBer j\relax\gdef\@jjj{}\fi% -\if\memBer J\relax\gdef\@jjj{}\fi% -\if\memBer k\relax\gdef\@kkk{}\fi% -\if\memBer K\relax\gdef\@kkk{}\fi% -}}% -% \end{macrocode} -% \end{macro} -% -% \section{Six-membered heterocyles} -% \subsection{Vertical type} -% -% The standard skeleton of a six-membered heterocycle is selected -% to have the following locant numbers. -% -% \begin{verbatim} -% ************************* -% * sixhetero derivatives * -% * (vertical type) * -% ************************* -% The following numbering is adopted in this macro. -% -% 1 -% * -% 6 * * 2 -% | | -% | | -% 5 * * 3 -% * -% 4 <===== the original point -% \end{verbatim} -% -% The macro |\sixheterov| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \sixheterov(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `f' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to f, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `A' represents an aromatic circle. The option -% `$n+$' ($n=1$ to $6$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST = -% -% none or r : sixhetero (right-handed) -% l : sixhetero (left-handed) -% [] : fully saturated form -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,6-double bond -% f : 6,1-double bond -% A : aromatic circle -% {n+} : plus at the n-nitrogen atom (n = 1 to 6) -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% ATOMLIST: list of heteroatoms (max 6 atoms) -% -% for n = 1 to 6 -% -% n : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 6 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges may be regarded as both fused and non-fused -% positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a, b, c, d, e, or f) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \sixheterov{1==N}{1==Cl;2==F} -% \sixheterov[c]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \sixheterov[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl} -% \end{verbatim} -% -% The definition of |\sixheterov| uses a picture environment and -% consists of the following unit processes: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by |\setsixringv|. -% \end{enumerate} -% -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/11/15}{Adding \cs{test@vertix@sixv}} -% -% \begin{macro}{\sixheterov} -% \begin{macro}{\@six@heterov} -% \begin{macro}{\@six@@heterov} -% \begin{macro}{\@sixheterov} -% \begin{macrocode} -\def\sixheterov{\@ifnextchar({\@six@heterov(@}{\@six@heterov(@)}} -\def\@six@heterov(#1){\@ifnextchar[{\@six@@heterov(#1)[@}% -{\@six@@heterov(#1)[@]}} -\def\@six@@heterov(#1)[#2]#3#4{\@ifnextchar[% -{\@sixheterov(#1)[#2]{#3}{#4}[@}% -{\@sixheterov(#1)[#2]{#3}{#4}[@]}} -\def\@sixheterov(#1)[#2]#3#4[#5]{% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{a}{b}{c}{d}{e}{f}% -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % adustment of subs positions % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\@reset@ylsw% -\ylposition{#4}{0}{0}{7}{0}% -\if@ylsw% -\yl@shiftii=\@ylii -\yl@shifti=\@yli -\advance\yl@shiftii\yl@xdiff -\advance\yl@shifti\yl@ydiff -\begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(800,880)(-\shiftii,-\shifti) - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `sixheterov' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -{% -\resetbdsw% -\@bond@@omit{#5}% -\set@skel@bond{#1}{a}{a}% bond between 1 and 2 \@aaa -> \skbonda etc -\set@skel@bond{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc -\set@skel@bond{#1}{c}{c}% bond between 3 and 4 \@ccc -> \skbondc etc -\set@skel@bond{#1}{d}{d}% bond between 4 and 5 \@ddd -> \skbondd etc -\set@skel@bond{#1}{e}{e}% bond between 5 and 6 \@eee -> \skbonde etc -\set@skel@bond{#1}{f}{f}% bond between 6 and 1 \@fff -> \skbondf etc -}% -%%%%%\set@outskel@sixv % replaced by above 1998/12/30 -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r\relax \bondd \bondf \bondb% -\else\if\member l\relax \bonda \bondc \bonde% -\else\if\member a\relax \bonda% -\else\if\member b\relax \bondb% -\else\if\member c\relax \bondc% -\else\if\member d\relax \bondd% -\else\if\member e\relax \bonde% -\else\if\member f\relax \bondf% -\else\if\member A%left aromatic circle - \put(0,203){\circle{240}}% %circle -% %%%%%%%%%%%%%%%%%%%%%%%%% -% % inner bond attachment % -% %%%%%%%%%%%%%%%%%%%%%%%%% -\else \expandafter\twoCH@@R\member//% - \set@fusionadd@sixv -\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\set@hetatom@sixv{#3}{0}{0}{7}{0}% %atom 1--6% -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\setsixringv{#4}{0}{0}{7}{0}% %subst 1--6 -\end{picture}\iniatom\iniflag}% %end of \sixheterov macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \subsection{Inverse vertical type} -% -% The standard skeleton of a six-membered heterocycle of inverse type -% is selected to have the following locant numbers. -% -% \begin{verbatim} -% ********************************** -% * sixhetero derivatives * -% * (vertical type, inverse type) * -% ********************************** -% The following numbering is adopted in this macro. -% -% 4 -% * -% 5 * * 3 -% | | -% | | -% 6 * * 2 -% * -% 1 <===== the original point -% \end{verbatim} -% -% The macro |\sixheterovi| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \sixheterovi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `f' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to f, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `A' represents an aromatic circle. The option -% `$n+$' ($n=1$ to $6$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% -% BONDLIST = -% -% none or r : sixhetero (right-handed) -% l : sixhetero (left-handed) -% [] : fully saturated form -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,6-double bond -% f : 6,1-double bond -% A : aromatic circle -% {n+} : plus at the n-nitrogen atom (n = 1 to 6) -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% ATOMLIST: list of heteroatoms (max 6 atoms) -% -% for n = 1 to 6 -% -% n : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 6 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges may be regarded as both fused and non-fused -% positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a, b, c, d, e, or f) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \sixheterovi{1==N}{1==Cl;2==F} -% \sixheterovi[c]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \sixheterovi[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl} -% -% \end{verbatim} -% -% The definition of |\sixheterovi| uses a picture environment and -% consists of the same unit processes as shown in |\sixheterov|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by |\setsixringv|. -% \end{enumerate} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\sixheterovi} -% \begin{macro}{\@six@heterovi} -% \begin{macro}{\@six@@heterovi} -% \begin{macro}{\@sixheterovi} -% \begin{macrocode} -\def\sixheterovi{\@ifnextchar({\@six@heterovi(@}{\@six@heterovi(@)}} -\def\@six@heterovi(#1){\@ifnextchar[{\@six@@heterovi(#1)[@}% -{\@six@@heterovi(#1)[@]}} -\def\@six@@heterovi(#1)[#2]#3#4{\@ifnextchar[% -{\@sixheterovi(#1)[#2]{#3}{#4}[@}% -{\@sixheterovi(#1)[#2]{#3}{#4}[@]}} -\def\@sixheterovi(#1)[#2]#3#4[#5]{% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{d}{c}{b}{a}{f}{e}% -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % adjustment of subs positions % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\@reset@ylsw% -\ylposition{#4}{5}{0}{5}{-1}% %subst 1--4 -\ylposition{#4}{11}{4}{7}{-1}% %subst 5 and 6 -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(800,880)(-\shiftii,-\shifti) - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `sixheterovi' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -{\resetbdsw% -\@bond@@omit{#5}% -\set@skel@bond{#1}{a}{c}% bond between 1 and 2 \@aaa -> \skbondc etc -\set@skel@bond{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc -\set@skel@bond{#1}{c}{a}% bond between 3 and 4 \@ccc -> \skbonda etc -\set@skel@bond{#1}{d}{f}% bond between 4 and 5 \@ddd -> \skbondf etc -\set@skel@bond{#1}{e}{e}% bond between 5 and 6 \@eee -> \skbonde etc -\set@skel@bond{#1}{f}{d}% bond between 6 and 1 \@fff -> \skbondd etc -}% -%%%\set@outskel@sixv% replaced by the above 1998/12/30 -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r\relax \bondd \bondf \bondb% -\else\if\member l\relax \bonda \bondc \bonde% -\else\if\member a\relax \bondc% -\else\if\member b\relax \bondb% -\else\if\member c\relax \bonda% -\else\if\member d\relax \bondf% -\else\if\member e\relax \bonde% -\else\if\member f\relax \bondd% -\else\if\member A%left aromatic circle - \put(0,203){\circle{240}}% %circle -% %%%%%%%%%%%%%%%%%%%%%%%%% -% % inner bond attachment % -% %%%%%%%%%%%%%%%%%%%%%%%%% -\else \expandafter\twoCH@@R\member//% - \set@fusionadd@sixvi -\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\set@hetatom@sixv{#3}{5}{0}{5}{-1}% %atom 1--4% -\set@hetatom@sixv{#3}{11}{4}{7}{-1}% %atom 5 and 6% -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\setsixringv{#4}{5}{0}{5}{-1}% %subst 1--4 -\setsixringv{#4}{11}{4}{7}{-1}% %subst 5 and 6 -\end{picture}\iniatom\iniflag}% %end of \sixheterovi macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \subsection{Pyridine derivatives of vertical type} -% -% The macros |\sixheterov| and |\sixheterovi| can be used in the -% form of a fixed |ATOMLIST|. Hence, the resulting commands for -% drawing a six-membered heterocyle with one or more nitrogen atoms -% have an argument |SUBSLIST| as well as an optional argument |BONDLIST|. -% -% \begin{verbatim} -% ************************ -% * pyridine derivatives * -% * (vertical type) * -% ************************ -% -% \pyridinev[BONDLIST]{SUBSLIST} -% \pyridinevi[BONDLIST]{SUBSLIST} -% \pyrazinev[BONDLIST]{SUBSLIST} -% \pyrimidinev[BONDLIST]{SUBSLIST} -% \pyrimidinevi[BONDLIST]{SUBSLIST} -% \triazinev[BONDLIST]{SUBSLIST} -% \triazinevi[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one -% character selected from a to f, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `A' represents an aromatic circle. The option -% `$n+$' ($n=1$ to $6$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST = -% -% none or r : pyridine (right-handed) -% l : pyridine (left-handed) -% [] : fully saturated ring -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,6-double bond -% f : 6,1-double bond -% A : aromatic circle -% {n+} : plus at the n-nitrogen atom -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 6 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \pyridinev{1==Cl;2==F} -% \pyridinev[c]{1==Cl;4==F;2==CH$_{3}$} -% \pyridinev[eb]{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl} -% \end{verbatim} -% -% \begin{macro}{\pridinev} -% \begin{macro}{\pridinevi} -% \begin{macrocode} -\def\pyridinev{\@ifnextchar[{\@pyridinev[@}{\@pyridinev[r]}} -\def\@pyridinev[#1]#2{% -\iforigpt \typeout{command `pyridinev' % - is based on `sixheterov'.}\fi% -\sixheterov[#1]{1==N}{#2}}%end of \pyridinev macro -\def\pyridinevi{\@ifnextchar[{\@pyridinevi[@}{\@pyridinevi[r]}} -\def\@pyridinevi[#1]#2{% -\iforigpt \typeout{command `pyridinevi' % - is based on `sixheterovi'.}\fi% -\sixheterovi[#1]{1==N}{#2}}%end of \pyridinevi macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\pyrazinev} -% \begin{macro}{\pyrazinevi} -% \begin{macrocode} -\def\pyrazinev{\@ifnextchar[{\@pyrazinev[@}{\@pyrazinev[r]}} -\def\@pyrazinev[#1]#2{% -\iforigpt \typeout{command `pyrazinev' % - is based on `sixheterov'.}\fi% -\sixheterov[#1]{1==N;4==N}{#2}}%end of \pyrazinev macro -%the same formula with an alternative locant numbering -\def\pyrazinevi{\@ifnextchar[{\@pyrazinevi[@}{\@pyrazinevi[r]}} -\def\@pyrazinevi[#1]#2{% -\iforigpt \typeout{command `pyrazinevi' % - is based on `sixheterovi'.}\fi% -\sixheterovi[#1]{1==N;4==N}{#2}}%end of \pyrazinevi macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\pyrimidinev} -% \begin{macro}{\pyrimidinevi} -% \begin{macrocode} -\def\pyrimidinev{\@ifnextchar[{\@pyrimidinev[@}{\@pyrimidinev[r]}} -\def\@pyrimidinev[#1]#2{% -\iforigpt \typeout{command `pyrimidinev' % - is based on `sixheterov'.}\fi% -\sixheterov[#1]{1==N;3==N}{#2}}%end of \pyrimidinev macro -\def\pyrimidinevi{\@ifnextchar[{\@pyrimidinevi[@}{\@pyrimidinevi[r]}} -\def\@pyrimidinevi[#1]#2{% -\iforigpt \typeout{command `pyrimidinevi' % - is based on `sixheterovi'.}\fi% -\sixheterovi[#1]{1==N;3==N}{#2}}%end of \pyrimidinevi macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\pyridazinev} -% \begin{macro}{\pyridazinevi} -% \begin{macrocode} -\def\pyridazinev{\@ifnextchar[{\@pyridazinev[@}{\@pyridazinev[r]}} -\def\@pyridazinev[#1]#2{% -\iforigpt \typeout{command `pyridazinev' % - is based on `sixheterov'.}\fi% -\sixheterov[#1]{1==N;2==N}{#2}}%end of \pyridazinev macro -\def\pyridazinevi{\@ifnextchar[{\@pyridazinevi[@}{\@pyridazinevi[r]}} -\def\@pyridazinevi[#1]#2{% -\iforigpt \typeout{command `pyridazinev' % - is based on `sixheterovi'.}\fi% -\sixheterovi[#1]{1==N;2==N}{#2}}%end of \pyridazinevi macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\triazinev} -% \begin{macro}{\triazinevi} -% \begin{macrocode} -\def\triazinev{\@ifnextchar[{\@triazinev[@}{\@triazinev[r]}} -\def\@triazinev[#1]#2{% -\iforigpt \typeout{command `triazinev' % - is based on `sixheterov'.}\fi% -\sixheterov[#1]{1==N;3==N;5==N}{#2}}%end of \triazinev macro -\def\triazinevi{\@ifnextchar[{\@triazinevi[@}{\@triazinevi[r]}} -\def\@triazinevi[#1]#2{% -\iforigpt \typeout{command `triazinevi' % - is based on `sixheterovi'.}\fi% -\sixheterovi[#1]{1==N;3==N;5==N}{#2}}%end of \triazinevi macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \section{Five-membered heterocycles} -% \subsection{Vertical type} -% -% The standard skeleton of a five-membered heterocycle -% is selected to have the following locant numbers. -% -% \begin{verbatim} -% ************************** -% * fivehetero derivatives * -% * (vertical type) * -% ************************** -% The following numbering is adopted in this macro. -% -% 4 _____ 3 -% | | -% | | -% 5 * * 2 -% * -% 1 <===== the original point -% \end{verbatim} -% -% The macro |\fiveheterov| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \fiveheterov(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `e' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to e, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `A' represents an aromatic circle. The option -% `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom -% at the $n$-position. -% The option `$0+$' typesets a plus charge at the center of the ring. -% -% \begin{verbatim} -% BONDLIST: list of inner double bonds -% -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,1-double bond -% A : aromatic circle -% {n+} : plus at the n-nitrogen atom (n = 1 to 5) -% {0+} : plus (or minus) at the center -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% ATOMLIST: list of heteroatoms (max 5 atoms) -% -% for n = 1 to 5 -% -% n : Hetero atom, e.g. N, O, etc. at n-position -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 5 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges may be regarded as both fused and non-fused -% positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a, b, c, d, or e) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \fiveheterov{1==N}{1==H;2==F} -% \fiveheterov[c]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \fiveheterov[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl} -% \end{verbatim} -% -% The definition of |\fiveheterov| uses a picture environment and -% consists of the same unit processes as shown in |\sixheterov|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by using |\setsixringv| partially. -% \end{enumerate} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/10/31}{Add: fused and spiro rings} -% -% \begin{macro}{\fiveheterov} -% \begin{macro}{\@five@heterov} -% \begin{macro}{\@five@@heterov} -% \begin{macro}{\@fiveheterov} -% \begin{macrocode} -\def\fiveheterov{\@ifnextchar({\@five@heterov(@}{\@five@heterov(@)}} -\def\@five@heterov(#1){\@ifnextchar[{\@five@@heterov(#1)[@}% -{\@five@@heterov(#1)[@]}} -\def\@five@@heterov(#1)[#2]#3#4{\@ifnextchar[% -{\@fiveheterov(#1)[#2]{#3}{#4}[@}% -{\@fiveheterov(#1)[#2]{#3}{#4}[@]}} -\def\@fiveheterov(#1)[#2]#3#4[#5]{% -\iniatom\iniflag%initialize -% %%%%%%%%%%%%% -% % atom list % -% %%%%%%%%%%%%% -\test@vertix@sixv{#3}{d}{c}{b}{f}{e}{a}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % adustment of subs positions % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\@reset@ylsw% -\ylposition{#4}{5}{1}{5}{-1}% % for 1 to 3 -\ylposition{#4}{10}{4}{7}{-1}% % for 4 to 5 -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(800,880)(-\shiftii,-\shifti)% - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `fiveheterov' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -{\resetbdsw% -\@bond@@omit{#5}% -\set@skel@bond{#1}{a}{c}% bond between 1 and 2 \@aaa -> \skbondc etc -\set@skel@bond{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc -\set@skel@longbond{#1}{c}{skbondhoriz}% - % bond between 3 and 4 \@ccc -> \skbondhoriz etc -\set@skel@bond{#1}{d}{e}% bond between 4 and 5 \@ddd -> \skbonde etc -\set@skel@bond{#1}{e}{d}% bond between 5 and 1 \@eee -> \skbondd etc -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r% -\else\if\member a\relax \bondc% -\else\if\member b\relax \bondb% -\else\if\member c\relax \bondhoriz% -\else\if\member d\relax \bonde% -\else\if\member e\relax \bondd% -\else\if\member A\relax% - \put(0,173){\circle{180}}%aromatic circle -% %%%%%%%%%%%%%%%%%%%%%%%%% -% % inner bond attachment % -% %%%%%%%%%%%%%%%%%%%%%%%%% -\else - \expandafter\twoCH@@R\member//% - \set@fusionadd@fivev -\fi\fi\fi\fi\fi\fi\fi}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%% -% % setting heteroatoms % -% %%%%%%%%%%%%%%%%%%%%%%% -\set@hetatom@sixv{#3}{5}{1}{5}{-1}% % for 1 to 3 -\set@hetatom@sixv{#3}{10}{4}{7}{-1}% % for 4 to 5 -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\setsixringv{#4}{5}{1}{5}{-1}% % for 1 to 3 -\setsixringv{#4}{10}{4}{7}{-1}% % for 4 to 5 -\end{picture}\iniatom\iniflag}% end of \fiveheterov macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \subsection{Inverse vertical type} -% -% The standard skeleton of a five-membered heterocycle of inverse type -% is selected to have the following locant numbers. -% -% \begin{verbatim} -% ***************************** -% * fivehetero derivatives * -% * (vertical type, inverse) * -% ***************************** -% The following numbering is adopted in this macro. -% -% 1 -% * -% 6 * * 2 -% | | -% |_____| -% 4 3 -% * -% (0,0) <===== the original point -% \end{verbatim} -% -% The macro |\fiveheterovi| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \fiveheterovi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `f' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to e, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `A' represents an aromatic circle. The option -% `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom -% at the $n$-position. -% The option `$0+$' typesets a plus charge at the center of the ring. -% -% \begin{verbatim} -% BONDLIST: list of inner double bonds -% -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,1-double bond -% A : aromatic circle -% {n+} : plus at the n-nitrogen atom (n = 1 to 5) -% {0+} : plus (or minus) at the center -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 5 atoms) -% -% for n = 1 to 5 -% -% n : Hetero atom, e.g. N, O, etc. at n-position -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 5 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges may be regarded as both fused and non-fused -% positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a, b, c, d, or e) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \fiveheterovi{1==N}{1==H;2==F} -% \fiveheterovi[c]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \fiveheterovi[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl} -% \end{verbatim} -% -% The definition of |\fiveheterovi| uses a picture environment and -% consists of the same unit processes as shown in |\sixheterov|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by using |\setsixringv| partially. -% \end{enumerate} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% -% \begin{macro}{\fiveheterovi} -% \begin{macro}{\@five@heterovi} -% \begin{macro}{\@five@@heterovi} -% \begin{macro}{\@fiveheterovi} -% \begin{macrocode} -\def\fiveheterovi{\@ifnextchar({\@five@heterovi(@}{\@five@heterovi(@)}} -\def\@five@heterovi(#1){\@ifnextchar[{\@five@@heterovi(#1)[@}% -{\@five@@heterovi(#1)[@]}} -\def\@five@@heterovi(#1)[#2]#3#4{\@ifnextchar[% -{\@fiveheterovi(#1)[#2]{#3}{#4}[@}% -{\@fiveheterovi(#1)[#2]{#3}{#4}[@]}} -\def\@fiveheterovi(#1)[#2]#3#4[#5]{% -\iniatom\iniflag%initialize -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%% -% % atom list % -% %%%%%%%%%%%%% -\test@vertix@sixv{#3}{a}{b}{c}{e}{f}{d}% d -- dummy -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % adustment of subs positions % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\@reset@ylsw% -\ylposition{#4}{0}{0}{4}{0}% % for 1 to 3 -\ylposition{#4}{1}{4}{7}{0}% % for 4 to 5 -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(800,880)(-\shiftii,-\shifti)% - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `fiveheterovi' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -{\resetbdsw% -\@bond@@omit{#5}% -\set@skel@bond{#1}{a}{a}% bond between 1 and 2 \@aaa -> \skbonda etc -\set@skel@bond{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc -\set@skel@longbond{#1}{c}{skbondhorizi}% - % bond between 3 and 4 \@ccc -> \skbondhorizi etc -\set@skel@bond{#1}{d}{e}% bond between 4 and 5 \@ddd -> \skbonde etc -\set@skel@bond{#1}{e}{f}% bond between 5 and 6 \@eee -> \skbondf etc -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r% -\else\if\member a\relax \bonda% -\else\if\member b\relax \bondb% -\else\if\member c\relax \bondhorizi% -\else\if\member d\relax \bonde% -\else\if\member e\relax \bondf% -\else\if\member A\relax% - \put(0,233){\circle{180}}%aromatic circle -\else - \expandafter\twoCH@@R\member//% - \set@fusionadd@fivevi -\fi\fi\fi\fi\fi\fi\fi}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%% -% % setting heteroatoms % -% %%%%%%%%%%%%%%%%%%%%%%% -\set@hetatom@sixv{#3}{0}{0}{4}{0}% % for 1 to 3 -\set@hetatom@sixv{#3}{1}{4}{7}{0}% % for 4 to 5 -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\setsixringv{#4}{0}{0}{4}{0}% % for 1 to 3 -\setsixringv{#4}{1}{4}{7}{0}% % for 4 to 5 -\end{picture}\iniatom\iniflag}%end of \fiveheterovi macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \subsection{Pyrrole derivatives of vertical type} -% -% The macro |\fiveheterov| can be used in the -% form of a fixed |ATOMLIST|. Hence, the resulting commands for -% drawing a five-membered heterocyle with one or more nitrogen atoms -% have an argument |SUBSLIST| as well as an optional argument |BONDLIST|. -% -% \begin{verbatim} -% *********************************** -% * pyrrole derivatives and others * -% * (vertical type) * -% *********************************** -% -% \pyrrolev[BONDLIST]{SUBSLIST} -% \pyrazolev[BONDLIST]{SUBSLIST} -% \imidazolev[BONDLIST]{SUBSLIST} -% \isoxazolev[BONDLIST]{SUBSLIST} -% \oxazolev[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one -% character selected from a to e, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option -% `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of inner double bonds -% -% none : mother nucleus -% [] : fully saturated form -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,1-double bond -% {n+} : plus at the n-nitrogen atom (n = 1 to 5) -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 5 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \pyrrolev{1==H;2==F} -% \pyrrolev[]{1==H;2==F} -% \imidazolev[c]{1==Cl;4==F;2==CH$_{3}$} -% \isoxazolev[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl} -% \end{verbatim} -% -% \begin{macro}{\pyrrolev} -% \begin{macro}{\pyrazolev} -% \begin{macro}{\imidazolev} -% \begin{macro}{\isoxazolev} -% \begin{macro}{\oxazolev} -% \begin{macrocode} -\def\pyrrolev{\@ifnextchar[{\@pyrrolev[@}{\@pyrrolev[bd]}} -\def\@pyrrolev[#1]#2{% -\iforigpt \typeout{command `pyrrolev' % - is based on `fiveheterov'.}\fi% -\fiveheterov[#1]{1==N}{#2}} -\def\pyrazolev{\@ifnextchar[{\@pyrazolev[@}{\@pyrazolev[bd]}} -\def\@pyrazolev[#1]#2{% -\iforigpt \typeout{command `pyrazolev' % - is based on `fiveheterov'.}\fi% -\fiveheterov[#1]{1==N;2==N}{#2}} -\def\imidazolev{\@ifnextchar[{\@imidazolev[@}{\@imidazolev[bd]}} -\def\@imidazolev[#1]#2{% -\iforigpt \typeout{command `imidazolev' % - is based on `fiveheterov'.}\fi% -\fiveheterov[#1]{1==N;3==N}{#2}} -\def\isoxazolev{\@ifnextchar[{\@isoxazolev[@}{\@isoxazolev[bd]}} -\def\@isoxazolev[#1]#2{% -\iforigpt \typeout{command `isoxazolev' % - is based on `fiveheterov'.}\fi% -\fiveheterov[#1]{1==O;2==N}{#2}} -\def\oxazolev{\@ifnextchar[{\@oxazolev[@}{\@oxazolev[bd]}} -\def\@oxazolev[#1]#2{% -\iforigpt \typeout{command `oxazolev' % - is based on `fiveheterov'.}\fi% -\fiveheterov[#1]{1==O;3==N}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\furanv} -% \begin{macro}{\thiophenev} -% \begin{macrocode} -\def\furanv{\@ifnextchar[{\@furanv[@}{\@furanv[bd]}} -\def\@furanv[#1]#2{% -\iforigpt \typeout{command `furanv' % - is based on `fiveheterov'.}\fi% -\fiveheterov[#1]{1==O}{#2}} -\def\thiophenev{\@ifnextchar[{\@thiophenev[@}{\@thiophenev[bd]}} -\def\@thiophenev[#1]#2{% -\iforigpt \typeout{command `thiophenev' % - is based on `fiveheterov'.}\fi% -\fiveheterov[#1]{1==S}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \subsection{Pyrrole derivatives of inverse vertical type} -% -% The macro |\fiveheterovi| can be used in the -% form of a fixed |ATOMLIST|. Hence, the resulting commands for -% drawing a five-membered heterocyle with one or more nitrogen atoms -% have an argument |SUBSLIST| as well as an optional argument |BONDLIST|. -% -% \begin{verbatim} -% *********************************** -% * pyrrole derivatives and others * -% * (vertical type, inverse) * -% *********************************** -% -% \pyrrolevi[BONDLIST]{SUBSLIST} -% \pyrazolevi[BONDLIST]{SUBSLIST} -% \imidazolevi[BONDLIST]{SUBSLIST} -% \isoxazolevi[BONDLIST]{SUBSLIST} -% \oxazolevi[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one -% character selected from a to e, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option -% `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of inner double bonds -% -% none : mother nucleus -% [] : fully saturated form -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,1-double bond -% {n+} : plus at the n-nitrogen atom (n = 1 to 5) -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents (max 6 substitution positions) -% -% for n = 1 to 5 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \pyrrolevi{1==H;2==F} -% \pyrrolevi[]{1==H;2==F} -% \imidazolevi[c]{1==Cl;4==F;2==CH$_{3}$} -% \isoxazolevi[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl} -% \end{verbatim} -% -% \begin{macro}{\pyrrolevi} -% \begin{macro}{\pyrazolevi} -% \begin{macro}{\imidazolevi} -% \begin{macro}{\isoxazolevi} -% \begin{macro}{\oxazolevi} -% \begin{macrocode} -\def\pyrrolevi{\@ifnextchar[{\@pyrrolevi[@}{\@pyrrolevi[bd]}} -\def\@pyrrolevi[#1]#2{% -\iforigpt \typeout{command `pyrrolevi' % - is based on `fiveheterovi'.}\fi% -\fiveheterovi[#1]{1==N}{#2}} -\def\pyrazolevi{\@ifnextchar[{\@pyrazolevi[@}{\@pyrazolevi[bd]}} -\def\@pyrazolevi[#1]#2{% -\iforigpt \typeout{command `pyrazolevi' % - is based on `fiveheterovi'.}\fi% -\fiveheterovi[#1]{1==N;2==N}{#2}} -\def\imidazolevi{\@ifnextchar[{\@imidazolevi[@}{\@imidazolevi[bd]}} -\def\@imidazolevi[#1]#2{% -\iforigpt \typeout{command `imidazolevi' % - is based on `fiveheterovi'.}\fi% -\fiveheterovi[#1]{1==N;3==N}{#2}} -\def\isoxazolevi{\@ifnextchar[{\@isoxazolevi[@}{\@isoxazolevi[bd]}} -\def\@isoxazolevi[#1]#2{% -\iforigpt \typeout{command `isoxazolevi' % - is based on `fiveheterovi'.}\fi% -\fiveheterovi[#1]{1==O;2==N}{#2}} -\def\oxazolevi{\@ifnextchar[{\@oxazolevi[@}{\@oxazolevi[bd]}} -\def\@oxazolevi[#1]#2{% -\iforigpt \typeout{command `oxazolevi' % - is based on `fiveheterovi'.}\fi% -\fiveheterovi[#1]{1==O;3==N}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\furanvi} -% \begin{macro}{\thiophenevi} -% \begin{macrocode} -\def\furanvi{\@ifnextchar[{\@furanvi[@}{\@furanvi[bd]}} -\def\@furanvi[#1]#2{% -\iforigpt \typeout{command `furanvi' % - is based on `fiveheterovi'.}\fi% -\fiveheterovi[#1]{1==O}{#2}} -\def\thiophenevi{\@ifnextchar[{\@thiophenevi[@}{\@thiophenevi[bd]}} -\def\@thiophenevi[#1]#2{% -\iforigpt \typeout{command `thiophenevi' % - is based on `fiveheterovi'.}\fi% -\fiveheterovi[#1]{1==S}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \section{Six-to-six fused heterocyles} -% \subsection{Vertical type} -% -% The standard skeleton of a six-to-six fused heterocycle is selected -% to have the following locant numbers. -% -% \begin{verbatim} -% ************************** -% * decahetero derivatives * -% * (vertical type) * -% ************************** -% The following numbering is adopted in this macro. -% -% 8 (10)1 -% * 8a * -% 7 * * * * 2 -% | | | -% | | | -% 6 * * * * 3 -% * 4a * -% 5 (9) 4 -% ^ -% | -% the original point -% \end{verbatim} -% -% The macro |\decaheterov| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \decaheterov(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `k' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to k, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `A' and `B' represent aromatic circles. The option -% `$n+$' ($n=1$ to $10$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of bonds -% -% none or r : decahetero (right-handed) -% l : decahetero (left-handed) -% [] : fully saturated form -% a : 1,2-double bond b : 2,3-double bond -% c : 4,3-double bond d : 4,4a-double bond -% e : 4a,5-double bond f : 5,6-double bond -% g : 6,7-double bond h : 7,8-double bond -% i : 8,8a-double bond j : 1,8a-double bond -% k : 4a,8a-double bond -% A : aromatic circle B : aromatic circle -% {n+} : plus at the n-nitrogen atom (n = 1 to 10) -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 10 atoms) -% -% for n = 1 to 8 -% -% n : Hetero atom, e.g. N, O, etc. at n-position -% e.g. 1==N for N at 1-position -% na : Hetero atom at 4a or 8b (n=4 or 8) -% e.g. 4a==N (or 9==N) for N at 4a-position -% 8a==N (or {{10}}==N) for N at 8a-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 8 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% for 9 (4a position) and 10 (8a position) -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges may be regarded as both fused and non-fused -% positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a to k: see BONDLIST) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \decaheterov{1==N}{1==Cl;2==F} -% \decaheterov[c]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \decaheterov[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl} -% \end{verbatim} -% -% The definition of |\decaheterov| uses a picture environment and -% consists of the same unit processes as shown in |\sixheterov|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by using |\setsixringv| several times. -% \end{enumerate} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/25}{Spiro rings and fused rings -% \cs{test@vertix@sixv}, \cs{test@vertix@decav}, etc.} -% -% \begin{macro}{\decaheterov} -% \begin{macro}{\@deca@heterov} -% \begin{macro}{\@deca@@heterov} -% \begin{macro}{\@decaheterov} -% \begin{macrocode} -\def\decaheterov{\@ifnextchar({\@deca@heterov(@}{\@deca@heterov(@)}} -\def\@deca@heterov(#1){\@ifnextchar[{\@deca@@heterov(#1)[@}% -{\@deca@@heterov(#1)[@]}} -\def\@deca@@heterov(#1)[#2]#3#4{\@ifnextchar[% -{\@decaheterov(#1)[#2]{#3}{#4}[@}% -{\@decaheterov(#1)[#2]{#3}{#4}[@]}} -\def\@decaheterov(#1)[#2]#3#4[#5]{% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniflag\iniatom% -\test@vertix@sixv{#3}{a}{b}{c}{d}{e}{f}% -\test@vertix@decav{#3}{g}{h}{i}{j}{@}{@}% -% %%%%%%%%%%%%%%%%%%%%%%% -% % adjustment for (yl) % -% %%%%%%%%%%%%%%%%%%%%%%% -\@reset@ylsw% -\ylhetposition{#4}{0}{0}{5}{0}% %substituents on 1 to 4 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi -\else -\ylhetposition{#4}{-1}{3}{7}{0}% %substituents on 5 to 7 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -\ylhetposition{#4}{-7}{0}{2}{0}% %substituent on 8 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@iclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-8}{7}% %9 %for 4a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-171}\def\@@yli{-103}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@jclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-9}{1}% %10 for 8a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-171}\def\@@yli{-303}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(1200,880)(-\shiftii,-\shifti)% - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `decaheterov' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -\begingroup -\resetbdsw% -\@bond@@omit{#5}% -{\let\fff=\jjj \let\eee=\iii% -\put(342,0){\set@skel@bond{#1}{a}{a}}% - % bond between 1 and 2 \@aaa -> \skbonda etc -\put(342,0){\set@skel@bond{#1}{b}{b}}% - % bond between 2 and 3 \@bbb -> \skbondb etc -\put(342,0){\set@skel@bond{#1}{c}{c}}% - % bond between 3 and 4 \@ccc -> \skbondc etc -\put(342,0){\set@skel@bond{#1}{d}{d}}% - % bond between 4 and 4a \@ddd -> \skbondd etc -\put(342,0){\set@skel@bond{#1}{k}{e}}% - % bond between 4a and 8a \@kkk -> \skbonde etc -\put(342,0){\set@skel@bond{#1}{j}{f}}% - % bond between 8a and 1 \@jjj -> \skbondf etc -}% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% -\set@skel@bond{#1}{i}{a}% bond between 8 and 8a \@iii -> \skbonda etc -\set@skel@bond{#1}{e}{c}% bond between 5 and 4a \@eee -> \skbondc etc -\set@skel@bond{#1}{f}{d}% bond between 5 and 6 \@fff -> \skbondd etc -\set@skel@bond{#1}{g}{e}% bond between 6 and 7 \@ggg -> \skbonde etc -\set@skel@bond{#1}{h}{f}% bond between 7 and 8 \@hhh -> \skbondf etc -}% -\endgroup -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r\relax% -{\let\fff=\jjj \let\eee=\iii% - \put(342,0){\bonda}% bond between 1 and 2 - \put(342,0){\bondc}% bond between 3 and 4 -}% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% - \put(0,0){\bondb}% bond between 8a and 4a - \put(0,0){\bondf}% bond between 8 and 7 - \put(0,0){\bondd}% bond between 5 and 6 -}% -\else\if\member l\relax% -\else\if\member a\relax% - \put(342,0){\bonda}% bond between 1 and 2 -\else\if\member b\relax - \put(342,0){\bondb}% bond between 2 and 3 -\else\if\member c\relax - \put(342,0){\bondc}% bond between 3 and 4 -\else\if\member d\relax% -{\let\eee=\iii% - \put(342,0){\bondd}% bond between 4 and 4a -}% -\else\if\member e\relax% -{\let\ccc=\iii \let\ddd=\eee% - \put(0,0){\bondc}% bond between 5 and 4a -}% -\else\if\member f\relax% -{\let\ddd=\eee \let\eee=\fff% - \put(0,0){\bondd}% bond between 5 and 6 -}% -\else\if\member g\relax% -{\let\eee=\fff \let\fff=\ggg% - \put(0,0){\bonde}% bond between 6 and 7 -}% -\else\if\member h\relax% -{\let\aaa=\hhh \let\fff=\ggg% - \put(0,0){\bondf}% bond between 8 and 7 -}% -\else\if\member i\relax% -{\let\aaa=\hhh \let\bbb=\jjj% - \put(0,0){\bonda}% bond between 8 and 8a -}% -\else\if\member j\relax% -{\let\fff=\jjj% - \put(342,0){\bondf}% bond between 1 and 8a -}% -\else\if\member k\relax% -{\let\ccc=\iii\let\bbb=\jjj% - \put(0,0){\bondb}% bond between 8a and 4a -}% -\else\if\member K\relax% -{\let\eee=\iii\let\fff=\jjj% - \put(342,0){\bonde}% bond between 8a and 4a in the other ring -}% -\else\if\member A%left aromatic circle - \put(0,203){\circle{240}} %circle -\else\if\member B%left aromatic circle - \put(342,203){\circle{240}} %circle -\else - \expandafter\twoCH@@R\member// - \def\aax{8a}\def\aay{4a}\def\aaz{10}% - \if\@@tmpa 1\relax% % plus charge etc. - \putratom{304}{282}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{402}{253}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{402}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{304}{68}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{-38}{68}{\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putlatom{-60}{253}{\@@tmpb}% % left type - \else\if\@@tmpa 7\relax% - \putlatom{-60}{120}{\@@tmpb}% % left type - \else\if\@@tmpa 8\relax% - \putratom{-38}{282}{\@@tmpb}% % right type - \else\if\@@tmpa 9\relax% - \putratom{60}{120}{\@@tmpb}% % right type -% \else\if\@@tmpa 10\relax% - \else\ifx\@@tmpa\aaz\relax%1998/10/17 - \putratom{60}{253}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aax\relax% - \putratom{60}{253}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aay\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -% *********************** -% * setting fused rings * -% *********************** - \expandafter\twoCH@R\member//% - \set@fusion@decav -\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -\fi\fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% -% \changes{v2.00a}{2000/11/11}{The -% \cs{iniflag} command is added to 5- and 8-substitution.} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms and spiro rings % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\iniflag -\put(342,0){\set@hetatom@sixv{#3}{0}{0}{5}{0}% - \if@aclip \global\@acliptrue\fi - \if@bclip \global\@bcliptrue\fi - \if@cclip \global\@ccliptrue\fi - \if@clip \global\@cliptrue\fi}% %substituents on 1 to 4 -\put(0,0){\iniflag%2000/11/11 by S. Fujita - \set@hetatom@sixv{#3}{-1}{3}{7}{0}% - \@gclipfalse \if@fclip \global\@gcliptrue \fi% - \@fclipfalse \if@eclip \global\@fcliptrue \fi% - \@eclipfalse \if@clip \global\@ecliptrue \fi}%substituents on 5 to 7 -\put(0,0){\iniflag%2000/11/11 by S. Fujita - \set@hetatom@sixv{#3}{-7}{0}{2}{0}% - \@hclipfalse \if@aclip \global\@hcliptrue \fi}%%substituent on 8 -\put(0,0){\set@vrtx@fuse{#3}% - \if@iclip \global\@icliptrue \fi - \if@jclip \global\@jcliptrue \fi}% fused positions -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents and exocyclic bonds % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\put(342,0){\setsixringv{#4}{0}{0}{5}{0}}% %substituents on 1 to 4 -{% - \@clipfalse \if@eclip \@cliptrue \fi% %substituents on 5 to 7 - \@eclipfalse \if@fclip \@ecliptrue \fi% - \@fclipfalse \if@gclip \@fcliptrue \fi% -\put(0,0){\setsixringv{#4}{-1}{3}{7}{0}}% -}% -{\@aclipfalse \if@hclip \@acliptrue \fi% %substituent on 8 -\put(0,0){\setsixringv{#4}{-7}{0}{2}{0}}% -}% -{\@clipfusefalse \if@iclip \@clipfusetrue \fi% - \put(171,103){\setatombond{#4}{-8}{7}}% %9 %for 4a position -}% -{\@clipfusefalse \if@jclip \@clipfusetrue \fi% - \put(171,303){\setatombond{#4}{-9}{1}}% %10 for 8a position -}% -\end{picture}\iniatom\iniflag}% %end of \decaheterov macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The |\clipdetection| command is used for the detection of -% clippings for a six-six ring. In particular, the clippings -% at the fused positions are detected in the |\decaheterov| command, -% where the data are applied to the command -% |\ylatombondposition| (chemstr.dtx). -% \changes{v1.02}{1998/10/16}{Newly added command} -% -% \begin{macro}{\clipdetection} -% \begin{macrocode} -\def\clipdetection{% -% hetero atom on 1 -\ifx\aaa\empty\else% - \@acliptrue% -\fi% -% hetero atom on 2 -\ifx\bbb\empty\else% - \@bcliptrue% -\fi% -% hetero atom on 3 -\ifx\ccc\empty\else% - \@ccliptrue% -\fi% -% hetero atom on 4 -\ifx\ddd\empty\else% - \@cliptrue% -\fi% -% hetero atom on 4a -{\let\eee=\iii% -\ifx\eee\empty\else% - \global\@icliptrue% -\fi% -}% -% hetero atom on 8a -{\let\fff=\jjj% -\ifx\fff\empty\else% - \global\@jcliptrue% -\fi% -}% -% hetero atom on 5 -{\let\ddd=\eee% -\ifx\ddd\empty\else - \global\@ecliptrue% -\fi% -}% -% hetero atom on 6 -{\let\eee=\fff% -\ifx\eee\empty\else% - \global\@fcliptrue% -\fi% -}% -% hetero atom on 7 -{\let\fff=\ggg% -\ifx\fff\empty\else% - \global\@gcliptrue% -\fi% -}% -% hetero atom on 8 -{\let\aaa=\hhh% -\ifx\aaa\empty\else% - \global\@hcliptrue% -\fi% -}}% end \clipdetection -% \end{macrocode} -% \end{macro} -% -% The command |\ylhetposition| is used in the |\decaheterov| command, -% giving the sift values for drawing a structure as a substituent. -% \changes{v1.02}{1998/10/16}{Newly added command} -% -% \begin{macro}{\ylhetposition} -% \begin{macrocode} -\def\ylhetposition#1#2#3#4#5{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}\relax% -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifnum#5<0\relax% -\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax% -\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax\fi -\ifnum\@tmpaa>#3\relax% -\ifnum\@tmpaa<#4\relax% -\ifcase\@tmpaa%0 omit -% \end{macrocode} -% -% The flags |\@lyatrue| etc are not used in a revised edition. -% -% \begin{macrocode} - \or - \ifx\aaa\empty - \ifx\hhh\empty% aaa and hhh are absent - \gdef\@ylii{0}\gdef\@yli{-406}\global\@ylswtrue%\@ylatrue% subst. on 1 - \else% hhh is present - \def\@ylii{0}\def\@yli{-442}\@ylswtrue%\@ylatrue% subst. on 1 - \fi - \else%aaa is present - \def\@ylii{0}\def\@yli{-442}\@ylswtrue%\@ylatrue% subst. on 1 - \fi - \or\ifx\bbb\empty - \def\@ylii{-171}\def\@yli{-303}\@ylswtrue%\@ylbtrue% subst. on 2 -% \def\@ylii{-513}\def\@yli{-303}\@ylswtrue%\@ylbtrue% subst. on 2 - \else - \def\@ylii{-213}\def\@yli{-327}\@ylswtrue%\@ylbtrue% subst. on 2 -% \def\@ylii{-555}\def\@yli{-327}\@ylswtrue%\@ylbtrue% subst. on 2 - \fi - \or\ifx\ccc\empty - \def\@ylii{-171}\def\@yli{-103}\@ylswtrue%\@ylctrue% subst. on 3 -% \def\@ylii{-513}\def\@yli{-103}\@ylswtrue%\@ylctrue% subst. on 3 - \else - \def\@ylii{-213}\def\@yli{-79}\@ylswtrue%\@ylctrue% subst. on 3 -% \def\@ylii{-555}\def\@yli{-79}\@ylswtrue%\@ylctrue% subst. on 3 - \fi - \or\ifx\ddd\empty - \ifx\eee\empty% ddd and eee are absent - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%\@yldtrue% subst. on 4 - \else% eee present - \gdef\@ylii{0}\gdef\@yli{36}\global\@ylswtrue%\@yldtrue% subst. on 4 - \fi - \else% ddd present - \gdef\@ylii{0}\gdef\@yli{36}\global\@ylswtrue%\@yldtrue% subst. on 4 - \fi - \or - \ifx\eee\empty - \ifx\iii\empty - \ifx\fff\empty% eee, iii and fff are absent - \def\@ylii{173}\def\@yli{-103}\@ylswtrue%\@yletrue% subst. on 5 - \else% fff is present - \def\@ylii{213}\def\@yli{-79}\@ylswtrue%\@yletrue% subst. on 5 - \fi -% \else% iii is present; fused position => no action here -% \def\@ylii{0}\def\@yli{-36}\@ylswtrue%\@yletrue% subst. on 5 - \fi - \else% eee is present - \def\@ylii{213}\def\@yli{-79}\@ylswtrue%\@yletrue% subst. on 5 - \fi - \or - \ifx\fff\empty - \ifx\jjj\empty - \ifx\ggg\empty% fff, jjj, and ggg are absent - \def\@ylii{173}\def\@yli{-303}\@ylswtrue%\@ylftrue% subst. on 6 - \else%ggg is present - \def\@ylii{213}\def\@yli{-327}\@ylswtrue%\@ylftrue% subst. on 6 - \fi -% \else%jjj is present; fused position => no action here -% \def\@ylii{213}\def\@yli{-327}\@ylswtrue%\@ylftrue% subst. on 6 - \fi - \else%fff is present - \def\@ylii{213}\def\@yli{-327}\@ylswtrue%\@ylftrue% subst. on 6 - \fi% -\fi%end of ifcase -\fi\fi\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% -% \subsection{Inverse vertical type} -% -% The standard skeleton of a six-to-six fused heterocycle is selected -% to have the following locant numbers. -% -% \begin{verbatim} -% ********************************** -% * decahetero derivatives * -% * (vertical type, inverse type) * -% ********************************** -% The following numbering is adopted in this macro. -% -% 5 (9) 4 -% * 4a * -% 6 * * * * 3 -% | | | -% | | | -% 7 * * * * 2 -% * 8a * -% 8 (10)1 -% ^ -% | -% the original point -% \end{verbatim} -% -% The macro |\decaheterovi| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \decaheterovi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `k' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to k, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The options `A' and `B' represent aromatic circles in two rings. -% The option `$n+$' ($n=1$ to $10$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of bonds -% -% none or r : decahetero (right-handed) -% l : decahetero (left-handed) -% [] : fully saturated form -% a : 1,2-double bond b : 2,3-double bond -% c : 4,3-double bond d : 4,4a-double bond -% e : 4a,5-double bond f : 5,6-double bond -% g : 6,7-double bond h : 7,8-double bond -% i : 8,8a-double bond j : 1,8a-double bond -% k : 4a,8a-double bond -% K : 4a,8a-double bond in the other ring -% A : aromatic circle B : aromatic circle -% {n+} : plus at the n-nitrogen atom (n = 1 to 10) -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 10 atoms) -% -% for n = 1 to 8 -% -% n : Hetero atom, e.g. N, O, etc. at n-position -% e.g. 1==N for N at 1-position -% na : Hetero atom at 4a or 8b (n=4 or 8) -% e.g. 4a==N (or 9==N) for N at 4a-position -% 8a==N (or {{10}}==N) for N at 8a-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 8 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% for 9 (4a position) and 10 (8a position) -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges may be regarded as both fused and non-fused -% positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a to k: see BONDLIST) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \decaheterovi{1==N}{1==Cl;2==F} -% \decaheterovi[c]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \decaheterovi[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl} -% \end{verbatim} -% -% The definition of |\decaheterovi| uses a picture environment and -% consists of the same unit processes as shown in |\sixheterovi|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by using |\setsixringv| several times. -% \end{enumerate} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/25}{Spiro rings and fused rings: -% \cs{test@vertix@decavi}, etc.} -% -% \begin{macro}{\decaheterovi} -% \begin{macro}{\@deca@heterovi} -% \begin{macro}{\@deca@@heterovi} -% \begin{macro}{\@decaheterovi} -% \begin{macrocode} -\def\decaheterovi{\@ifnextchar({\@deca@heterovi(@}{\@deca@heterovi(@)}} -\def\@deca@heterovi(#1){\@ifnextchar[{\@deca@@heterovi(#1)[@}% -{\@deca@@heterovi(#1)[@]}} -\def\@deca@@heterovi(#1)[#2]#3#4{\@ifnextchar[% -{\@decaheterovi(#1)[#2]{#3}{#4}[@}% -{\@decaheterovi(#1)[#2]{#3}{#4}[@]}} -\def\@decaheterovi(#1)[#2]#3#4[#5]{% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniflag\iniatom% -%%\test@vertix@sixv{#3}{d}{c}{b}{a}{h}{g}% -%%\test@vertix@decav{#3}{f}{e}{i}{j}{@}{@}%{i}{j} fixed -\test@vertix@decavi{#3}% -% -% %%%%%%%%%%%%%%%%%%%%%%% -% % adjustment for (yl) % -% %%%%%%%%%%%%%%%%%%%%%%% -\@reset@ylsw% -\ylhetposition{#4}{5}{0}{5}{-1}% %substituents on 1 to 4 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi -\else -\ylhetposition{#4}{12}{3}{7}{-1}% %substituents on 6 to 8 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -\ylhetposition{#4}{-4}{0}{2}{0}% %substituent on 5 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@iclip \@clipfusetrue \fi% - \ylatombondposition{#4}{-9}{7}% %10 for 8a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-171}\def\@@yli{-103}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@jclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-8}{1}% %9 for 4a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-171}\def\@@yli{-303}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(1200,880)(-\shiftii,-\shifti)% - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `decaheterovi' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -\begingroup -\resetbdsw% -\@bond@@omit{#5}% -{\let\fff=\jjj \let\eee=\iii% -\put(342,0){\set@skel@bond{#1}{c}{a}}% - % bond between 1 and 2 \@aaa -> \skbonda etc -\put(342,0){\set@skel@bond{#1}{b}{b}}% - % bond between 2 and 3 \@bbb -> \skbondb etc -\put(342,0){\set@skel@bond{#1}{a}{c}}% - % bond between 3 and 4 \@ccc -> \skbondc etc -\put(342,0){\set@skel@bond{#1}{j}{d}}% - % bond between 4 and 4a \@ddd -> \skbondd etc -\put(342,0){\set@skel@bond{#1}{k}{e}}% - % bond between 4a and 8a \@kkk -> \skbonde etc -\put(342,0){\set@skel@bond{#1}{d}{f}}% - % bond between 8a and 1 \@jjj -> \skbondf etc -}% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% -\set@skel@bond{#1}{e}{a}% bond between 8 and 8a \@eee -> \skbonda etc -\set@skel@bond{#1}{i}{c}% bond between 5 and 4a \@iii -> \skbondc etc -\set@skel@bond{#1}{h}{d}% bond between 5 and 6 \@hhh -> \skbondd etc -\set@skel@bond{#1}{g}{e}% bond between 6 and 7 \@ggg -> \skbonde etc -\set@skel@bond{#1}{f}{f}% bond between 7 and 8 \@fff -> \skbondf etc -}% -\endgroup -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r\relax% -{\let\fff=\jjj \let\eee=\iii% - \put(342,0){\bonda}% bond between 1 and 2 - \put(342,0){\bondc}% bond between 3 and 4 -}% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% - \put(0,0){\bondb}% bond between 8a and 4a - \put(0,0){\bondf}% bond between 8 and 7 - \put(0,0){\bondd}% bond between 5 and 6 -}% -\else\if\member l\relax% -\else\if\member a\relax% - \put(342,0){\bondc}% bond between 3 and 4 -\else\if\member b\relax% - \put(342,0){\bondb}% bond between 2 and 3 -\else\if\member c\relax% - \put(342,0){\bonda}% bond between 1 and 2 -\else\if\member d\relax% -{\let\fff=\jjj% - \put(342,0){\bondf}% bond between 1 and 8a -}% -\else\if\member e\relax% -{\let\aaa=\hhh \let\bbb=\jjj% - \put(0,0){\bonda}% bond between 8 and 8a -}% -\else\if\member f\relax% -{\let\aaa=\hhh \let\fff=\ggg% - \put(0,0){\bondf}% bond between 8 and 7 -}% -\else\if\member g\relax% -{\let\eee=\fff \let\fff=\ggg% - \put(0,0){\bonde}% bond between 6 and 7 -}% -\else\if\member h\relax% -{\let\ddd=\eee \let\eee=\fff% - \put(0,0){\bondd}% bond between 5 and 6 -}% -\else\if\member i\relax% -{\let\ccc=\iii \let\ddd=\eee% - \put(0,0){\bondc}% bond between 5 and 4a -}% -\else\if\member j\relax% -{\let\eee=\iii% - \put(342,0){\bondd}% bond between 4 and 4a -}% -\else\if\member k\relax% -{\let\ccc=\iii\let\bbb=\jjj% - \put(0,0){\bondb}% bond between 8a and 4a -}% -\else\if\member K\relax% -{\let\eee=\iii\let\fff=\jjj% - \put(342,0){\bonde}% bond between 8a and 4a in the other ring -}% -\else\if\member A%left aromatic circle - \put(0,203){\circle{240}} %circle -\else\if\member B%left aromatic circle - \put(342,203){\circle{240}} %circle -\else - \expandafter\twoCH@@R\member//% - \def\aax{4a}\def\aay{8a}\def\aaz{10}% - \if\@@tmpa 4\relax% % plus charge etc. - \putratom{304}{282}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{402}{253}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{402}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 1\relax% - \putratom{304}{68}{\@@tmpb}% % right type - \else\if\@@tmpa 7\relax% - \putlatom{-60}{253}{\@@tmpb}% % left type - \else\if\@@tmpa 6\relax% - \putlatom{-60}{120}{\@@tmpb}% % left type - \else\if\@@tmpa 5\relax% - \putratom{-38}{282}{\@@tmpb}% % right type - \else\if\@@tmpa 9\relax% - \putratom{60}{253}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aax\relax% - \putratom{60}{253}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aay\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aaz\relax% 1998/10/17 by S. Fujita -% \else\if\@@tmpa 10\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 8\relax% - \putratom{-38}{68}{\@@tmpb}% % right type - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -% *********************** -% * setting fused rings * -% *********************** - \expandafter\twoCH@R\member//% - \set@fusion@decavi -\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -\fi\fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms and spiro rings % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\iniflag\iniatom% -\@tmpclipfalse -\put(0,0){\set@hetatom@sixv{#3}{12}{3}{7}{-1}% - \@gclipfalse \if@fclip \global\@gcliptrue \fi% - \@fclipfalse \if@eclip \global\@fcliptrue \fi% - \@eclipfalse \if@clip \global\@ecliptrue \fi% -}%substituents on 6 to 8 -\put(0,0){\set@hetatom@sixv{#3}{-4}{0}{2}{0}% - \@aclipfalse \if@aclip \global\@hcliptrue \fi% -}%%substituent on 5 -\put(0,0){\set@vrtx@decafusevi{#3}% - \@tmpclipfalse - \if@iclip \global\@tmpcliptrue \fi - \if@jclip \global\@icliptrue \fi - \if@tmpclip \global\@jcliptrue \fi -}% fused positions -%to be done after all -\put(342,0){\set@hetatom@sixv{#3}{5}{0}{5}{-1}% - \if@aclip \global\@acliptrue\fi - \if@bclip \global\@bcliptrue\fi - \if@cclip \global\@ccliptrue\fi - \if@clip \global\@cliptrue\fi -}% %substituents on 1 to 4 -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents and exocyclic bonds % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\put(342,0){\setsixringv{#4}{5}{0}{5}{-1}}% %substituents on 1 to 4 -{\@clipfalse \if@eclip \@cliptrue \fi% %substituents on 6 to 8 - \@eclipfalse \if@fclip \@ecliptrue \fi% - \@fclipfalse \if@gclip \@fcliptrue \fi% -\put(0,0){\setsixringv{#4}{12}{3}{7}{-1}}% -} -{\@aclipfalse \if@hclip \@acliptrue \fi% %substituent on 5 -\put(0,0){\setsixringv{#4}{-4}{0}{2}{0}}% -}% -{\@clipfusefalse \if@iclip \@clipfusetrue \fi% - \put(171,103){\setatombond{#4}{-9}{7}}% %10 for 8a position -}% -{\@clipfusefalse \if@jclip \@clipfusetrue \fi% - \put(171,303){\setatombond{#4}{-8}{1}}% %9 for 4a position -}% -\end{picture}\iniatom\iniflag}% %end of \decaheterovi macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The macro |\test@vertix@decavi| is used to test the presence of -% a hetero atom or a spiro substituent on a vertex of the -% decaheterovi nucleus. -% -% \begin{macro}{\if@tmpclip} -% \begin{macro}{\test@vertix@decavi} -% \begin{macrocode} -\newif\if@tmpclip \@tmpclipfalse -\def\test@vertix@decavi#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa% - \or% - \if\@tmpb s\relax\def\ddd{}\else\def\ddd{@}\fi - \or%2 - \if\@tmpb s\relax\def\ccc{}\else\def\ccc{@}\fi - \or%3 - \if\@tmpb s\relax\def\bbb{}\else\def\bbb{@}\fi - \or% - \if\@tmpb a% - \def\jjj{@}%4a - \else\if\@tmpb s% - \def\aaa{}%4 - \else\if\@tmpb h% - \def\aaa{@}%4 - \else\ifx\@tmpb\empty% - \def\aaa{@}%4 - \fi\fi\fi\fi% - \or%5 - \if\@tmpb s\relax\def\hhh{}\else\def\hhh{@}\fi - \or%6 - \if\@tmpb s\relax\def\ggg{}\else\def\ggg{@}\fi - \or%7 - \if\@tmpb s\relax\def\fff{}\else\def\fff{@}\fi - \or% - \if\@tmpb a% - \xdef\iii{@}%8a - \else\if\@tmpb s% - \xdef\eee{}%8s - \else\if\@tmpb h% - \xdef\eee{@}%8h - \else\ifx\@tmpb\empty% - \xdef\eee{@}%8 - \fi\fi\fi\fi% -\or%9 (= 4a) - \if\@tmpb s\relax\def\jjj{}\else\def\jjj{@}\fi -\or%10 (= 8a) - \if\@tmpb s\relax\def\iii{}\else\def\iii{@}\fi -\fi\fi}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The macro |\set@vrtx@decafusevi| is used to set -% a hetero atom or on a vertex of a bridgehead location. -% -% \begin{macro}{\set@vrtx@decafusevi} -% \begin{macrocode} -\def\set@vrtx@decafusevi#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa\or\or\or - \or%%%%4 - \if\@tmpb a% - \global\@icliptrue% - \putlatom{207}{280}{\@memberb}% % left type - \else\relax - \fi - \or\or\or - \or%8 - \if\@tmpb a% - \global\@jcliptrue% - \putlatom{207}{65}{\@memberb}% % left type - \else\relax - \fi -\or%9 (= 4a) - \global\@icliptrue% - \putlatom{207}{280}{\@memberb}% % left type -\or%10 (= 8a) - \global\@jcliptrue% - \putlatom{207}{65}{\@memberb}% % left type -\fi\fi}% -}% end of the macro \set@vrtx@decafusevi -% \end{macrocode} -% \end{macro} -% -% The macro |\set@fusion@decavi| is used to set -% a fused ring or on an edge of the decaheterovi nucleus. -% -% \begin{macro}{\set@fusion@decavi} -% \begin{macrocode} -\def\set@fusion@decavi{% - \let\@@tmpa=\@tmpa - \let\@@tmpb=\@tmpb - \if\@tmpa a% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixvi}% - \else\if\@tmpa A% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixvi}% - \else\if\@tmpa b% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixvi}% - \else\if\@tmpa B% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixvi}% - \else\if\@tmpa c% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixvi}% - \else\if\@tmpa C% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixvi}% - \else\if\@tmpa d% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixvi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `d'}% - \fi - \else\if\@tmpa D% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixvi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `D'}% - \fi - \else\if\@tmpa e% - \edef\@@tmpa{c}% - \put(0,0){\set@fusionadd@sixvi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `e'}% - \fi - \else\if\@tmpa E% - \edef\@@tmpa{C}% - \put(0,0){\set@fusionadd@sixvi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `E'}% - \fi - \else\if\@tmpa f% - \edef\@@tmpa{d}% - \put(0,0){\set@fusionadd@sixvi}% - \else\if\@tmpa F% - \edef\@@tmpa{D}% - \put(0,0){\set@fusionadd@sixvi}% - \else\if\@tmpa g% - \edef\@@tmpa{e}% - \put(0,0){\set@fusionadd@sixvi}% - \else\if\@tmpa G% - \edef\@@tmpa{E}% - \put(0,0){\set@fusionadd@sixvi}% - \else\if\@tmpa h% - \edef\@@tmpa{f}% - \put(0,0){\set@fusionadd@sixvi}% - \else\if\@tmpa H% - \edef\@@tmpa{F}% - \put(0,0){\set@fusionadd@sixvi}% - \else\if\@tmpa i% - \edef\@@tmpa{a}% - \put(0,0){\set@fusionadd@sixvi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `i'}% - \fi - \else\if\@tmpa I% - \edef\@@tmpa{A}% - \put(0,0){\set@fusionadd@sixvi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `I'}% - \fi - \else\if\@tmpa j% - \edef\@@tmpa{f}% - \put(342,0){\set@fusionadd@sixvi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `j'}% - \fi - \else\if\@tmpa J% - \edef\@@tmpa{F}% - \put(342,0){\set@fusionadd@sixvi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `J'}% - \fi - \else\if\@tmpa k% - \edef\@@tmpa{e}% - \put(342,0){\set@fusionadd@sixvi}% - \if@smallringsw\else - \XyMTeXWarning{Forbidden Fusion for bond `k'}% - \fi - \else\if\@tmpa K% - \edef\@@tmpa{E}% - \put(342,0){\set@fusionadd@sixvi}% - \if@smallringsw\else - \XyMTeXWarning{Forbidden Fusion for bond `K'}% - \fi - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@decavi -% \end{macrocode} -% \end{macro} -% -% \subsection{Vertical-bottom type} -% The macro |\decaheterovb| is used for drawing six-six heterocyclic -% derivatives of vertical-bottom type (numbering from the bottom -% to the left-upper part). -% The word ``vertical'' means that each benzene ring is a vertical type. -% The word ``bottom'' means that the benzene ring with young locant numbers -% is located at the bottom. -% The skeleton and endocyclic double bonds are drawn directly, -% while substituents and exocyclic bonds are placed by useing -% the inner macro |\setsixringv|. -% -% The standard skeleton of a six-to-six fused heterocycle is selected -% to have the following locant numbers. -% -% \changes{v1.02}{1998/10/16}{Newly added command} -% -% \begin{verbatim} -% *************************** -% * decahetro derivatives * -% * (vertical bottom type) * -% *************************** -% The following numbering is adopted in this macro. -% -% 7 -% * -% 6 * * 8 -% | | -% | | 0G (4a) -% 5 * * * -% 0F(4a) * * 1 -% | | -% | | -% 4 * * 2 -% * -% 3 -% ^ -% | -% the original point -% \end{verbatim} -% -% The macro |\decaheterovb| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \decaheterovb(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `k' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to k, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `A' and `B' represent aromatic circles. The option -% `$n+$' ($n=1$ to $10$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of bonds -% -% none or r : decahetero (right-handed) -% l : decahetero (left-handed) -% [] : fully saturated form -% a : 1,2-double bond b : 2,3-double bond -% c : 4,3-double bond d : 4,4a-double bond -% e : 4a,5-double bond f : 5,6-double bond -% g : 6,7-double bond h : 7,8-double bond -% i : 8,8a-double bond j : 1,8a-double bond -% k : 4a,8a-double bond -% K : 4a,8a-double bond in the other ring -% A : aromatic circle B : aromatic circle -% {n+} : plus at the n-nitrogen atom (n = 1 to 10) -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 10 atoms) -% -% for n = 1 to 8 -% -% n : Hetero atom, e.g. N, O, etc. at n-position -% e.g. 1==N for N at 1-position -% na : Hetero atom at 4a or 8b (n=4 or 8) -% e.g. 4a==N (or 9==N) for N at 4a-position -% 8a==N (or {{10}}==N) for N at 8a-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 8 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% for 9 (4a position) and 10 (8a position) -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges may be regarded as both fused and non-fused -% positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a to k: see BONDLIST) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \decaheterovb{1==N}{1==Cl;2==F} -% \decaheterovb[c]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \decaheterovb[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl} -% \end{verbatim} -% -% The definition of |\decaheterovb| uses a picture environment and -% consists of the same unit processes as shown in |\sixheterov|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by using |\setsixringv| several times. -% \end{enumerate} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/25}{Spiro rings and fused rings} -% -% \begin{macro}{\decaheterovb} -% \begin{macro}{\@deca@heterovb} -% \begin{macro}{\@deca@@heterovb} -% \begin{macro}{\@decaheterovb} -% \begin{macrocode} -\def\decaheterovb{\@ifnextchar({\@deca@heterovb(@}{\@deca@heterovb(@)}} -\def\@deca@heterovb(#1){\@ifnextchar[{\@deca@@heterovb(#1)[@}% -{\@deca@@heterovb(#1)[@]}} -\def\@deca@@heterovb(#1)[#2]#3#4{\@ifnextchar[% -{\@decaheterovb(#1)[#2]{#3}{#4}[@}% -{\@decaheterovb(#1)[#2]{#3}{#4}[@]}} -\def\@decaheterovb(#1)[#2]#3#4[#5]{% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniflag\iniatom% -\test@vertix@decavb{#3}% -% %%%%%%%%%%%%%%%%%%%%%%% -% % adjustment for (yl) % -% %%%%%%%%%%%%%%%%%%%%%%% -\@reset@ylsw% -{\let\eee=\ddd\let\ddd=\ccc -\let\ccc=\bbb\let\bbb=\aaa -\ylhetpositionb{#4}{1}{1}{6}{0}% %substituents on 1 to 4 -}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -\ylhetpositionb{#4}{0}{4}{7}{0}% %substituents on 5 to 6 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{171}\def\@@yli{-303}\fi -\else -{\let\aaa=\ggg \let\bbb=\hhh -\ylhetpositionb{#4}{-6}{0}{3}{0}% %substituents on 7 to 8 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{171}\def\@@yli{-303}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@iclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-8}{9}% %9 %for 4a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{171}\def\@@yli{-303}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@jclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-9}{3}% %10 for 8a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{-406}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(1000,1200)(-550,-240) - \iforigpt \put(-550,-240){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `decaheterovb' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -\begingroup -\resetbdsw% -\@bond@@omit{#5}% -{\let\eee=\ddd\let\ddd=\ccc - \let\ccc=\bbb\let\bbb=\aaa - \let\aaa=\jjj \let\fff=\iii -\set@skel@bond{#1}{j}{a}% bond between 8a and 1 \@jjj -> \skbonda etc -\set@skel@bond{#1}{a}{b}% bond between 1 and 2 \@aaa -> \skbondb etc -\set@skel@bond{#1}{b}{c}% bond between 2 and 3 \@bbb -> \skbondc etc -\set@skel@bond{#1}{c}{d}% bond between 3 and 4 \@ccc -> \skbondd etc -\set@skel@bond{#1}{d}{e}% bond between 4 and 4a \@ddd -> \skbonde etc -\set@skel@bond{#1}{k}{f}% bond between 4a and 8a \@kkk -> \skbondf etc -}% -{\let\aaa=\ggg\let\bbb=\hhh\let\ccc=\jjj\let\ddd=\iii -\put(-171,303){\set@skel@bond{#1}{h}{a}}% - % bond between 7 and 8 \@hhh -> \skbonda etc -\put(-171,303){\set@skel@bond{#1}{i}{b}}% - % bond between 8 and 8a \@iii -> \skbondb etc -\put(-171,303){\set@skel@bond{#1}{e}{d}}% - % bond between 4a and 5 \@eee -> \skbondd etc -\put(-171,303){\set@skel@bond{#1}{f}{e}}% - % bond between 5 and 6 \@fff -> \skbonde etc -\put(-171,303){\set@skel@bond{#1}{g}{f}}% - % bond between 6 and 7 \@ggg -> \skbondf etc -}% -\endgroup -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r\relax% -{\let\aaa=\ggg\let\bbb=\hhh\let\ccc=\jjj\let\ddd=\iii - \put(-171,303){\bonda}% bond between 7 and 8 - \put(-171,303){\bonde}% bond between 5 and 6 -}% -{\let\eee=\ddd\let\ddd=\ccc - \let\ccc=\bbb\let\bbb=\aaa - \let\aaa=\jjj \let\fff=\iii - \put(0,0){\bondb}% bond between 1 and 2 - \put(0,0){\bondd}% bond between 3 and 4 - \put(0,0){\bondf}% bond between 4a and 4b -}% -\else\if\member l\relax% -\else\if\member a\relax% -{\let\ccc=\bbb\let\bbb=\aaa - \put(0,0){\bondb}% bond between 1 and 2 -}% -\else\if\member b\relax -{\let\ddd=\ccc\let\ccc=\bbb - \put(0,0){\bondc}% bond between 2 and 3 -}% -\else\if\member c\relax -{\let\eee=\ddd\let\ddd=\ccc - \put(0,0){\bondd}% bond between 3 and 4 -}% -\else\if\member d\relax% -{\let\fff=\eee\let\eee=\ddd - \put(0,0){\bonde}% bond between 4 and 4a -}% -\else\if\member e\relax% -{\let\ddd=\iii% - \put(-171,303){\bondd}% bond between 5 and 4a -}% -\else\if\member f\relax% - \put(-171,303){\bonde}% bond between 5 and 6 -\else\if\member g\relax% -{\let\aaa=\ggg - \put(-171,303){\bondf}% bond between 6 and 7 -}% -\else\if\member h\relax% -{\let\aaa=\ggg \let\bbb=\hhh% - \put(-171,303){\bonda}% bond between 8 and 7 -}% -\else\if\member i\relax% -{\let\bbb=\hhh \let\ccc=\jjj% - \put(-171,303){\bondb}% bond between 8 and 8a -}% -\else\if\member j\relax% -{\let\bbb=\aaa\let\aaa=\jjj% - \put(0,0){\bonda}% bond between 1 and 8a -}% -\else\if\member k\relax% -{\let\aaa=\jjj\let\fff=\iii% - \put(0,0){\bondf}% bond between 8a and 4a -}% -\else\if\member K\relax% -{\let\ccc=\jjj\let\ddd=\iii% - \put(-171,303){\bondc}% bond between 8a and 4a in the other ring -}% -\else\if\member A%left aromatic circle - \put(-171,506){\circle{240}} %circle -\else\if\member B%left aromatic circle - \put(0,203){\circle{240}} %circle -\else \expandafter\twoCH@@R\member//% - \def\aax{8a}\def\aay{4a}\def\aaz{10}% - \if\@@tmpa 1\relax% % plus charge etc. - \putratom{60}{253}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{-38}{68}{\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{-120}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putlatom{-209}{431}{\@@tmpb}% % left type - \else\if\@@tmpa 6\relax% - \putlatom{-209}{546}{\@@tmpb}% % left type - \else\if\@@tmpa 7\relax% - \putratom{-209}{585}{\@@tmpb}% % right type - \else\if\@@tmpa 8\relax% - \putratom{-111}{546}{\@@tmpb}% % right type - \else\if\@@tmpa 9\relax% - \putlatom{-60}{253}{\@@tmpb}% % left type - \else\ifx\@@tmpa\aaz\relax% - \putratom{-38}{282}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aax\relax% - \putratom{-38}{282}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aay\relax% - \putratom{-209}{371}{\@@tmpb}% % right type - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -% *********************** -% * setting fused rings * -% *********************** - \expandafter\twoCH@R\member//% - \set@fusion@decavb -\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -\fi\fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% -% \changes{v2.00a}{2000/11/11}{The -% \cs{iniflag} command is added to 5- and 8-substitution.} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\iniflag\iniatom -\put(-171,303){\set@hetatom@sixv{#3}{0}{4}{7}{0}% -\if@eclip \global\@ecliptrue\fi% -\if@fclip \global\@fcliptrue\fi% -}% %substituents on 5 to 6 -\put(-171,303){\set@hetatom@sixv{#3}{-6}{0}{3}{0}% - \@gclipfalse \if@aclip \global\@gcliptrue \fi% - \@hclipfalse \if@bclip \global\@hcliptrue \fi% -}% %substituents on 7 to 8 -\put(0,0){\set@vrtx@decafusevb{#3}% - \if@iclip \global\@icliptrue \fi - \if@jclip \global\@jcliptrue \fi -}%9 %for 4a position, %10 for 8a position -%to be done after all -\put(0,0){\iniflag%2000/11/11 by S. Fujita -\set@hetatom@sixv{#3}{1}{1}{6}{0}% -\@aclipfalse \if@bclip \global\@acliptrue \fi% -\@bclipfalse \if@cclip \global\@bcliptrue \fi% -\@cclipfalse \if@clip \global\@ccliptrue \fi% -\@clipfalse \if@eclip \global\@cliptrue \fi% -}% %substituents on 1 to 4 -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents and exocyclic bonds % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -{% -\@eclipfalse \if@clip \@ecliptrue \fi% -\@clipfalse \if@cclip \@cliptrue \fi% -\@cclipfalse \if@bclip \@ccliptrue \fi% -\@bclipfalse \if@aclip \@bcliptrue \fi% -\put(0,0){\setsixringv{#4}{1}{1}{6}{0}}% %substituents on 1 to 4 -}% -{% -\put(-171,303){\setsixringv{#4}{0}{4}{7}{0}}% %substituents on 5 to 6 -}% -{% - \@aclipfalse \if@gclip \@acliptrue \fi% - \@bclipfalse \if@hclip \@bcliptrue \fi% -\put(-171,303){\setsixringv{#4}{-6}{0}{3}{0}}% %substituents on 7 to 8 -}% -{\@clipfusefalse \if@iclip \@clipfusetrue \fi% - \put(-171,303){\setatombond{#4}{-8}{9}}% %9 %for 4a position -}% -{\@clipfusefalse \if@jclip \@clipfusetrue \fi% - \put(0,406){\setatombond{#4}{-9}{3}}% %10 for 8a position -}% -\end{picture}\iniatom\iniflag}% %end of \decaheterovb macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The command |\ylhetpositionb| is used in the |\decaheterovb| command, -% giving the sift values for drawing a structure as a substituent. -% \changes{v1.02}{1998/10/16}{Newly added command} -% -% \begin{macro}{\ylhetpositionb} -% \begin{macrocode} -\def\ylhetpositionb#1#2#3#4#5{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}\relax% -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifnum#5<0\relax% -\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax% -\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax\fi -\ifnum\@tmpaa>#3\relax% -\ifnum\@tmpaa<#4\relax% -\ifcase\@tmpaa%0 omit - \or - \ifx\aaa\empty% - \ifx\ggg\empty% aaa and ggg are absent - \gdef\@ylii{0}\gdef\@yli{-406}\global\@ylswtrue%\@ylatrue% subst. on 1 - \else% ggg is present - \gdef\@ylii{0}\gdef\@yli{-442}\global\@ylswtrue%\@ylatrue% subst. on 1 - \fi - \else%aaa is present - \gdef\@ylii{0}\gdef\@yli{-442}\global\@ylswtrue%\@ylatrue% subst. on 1 - \fi - \or - \ifx\bbb\empty - \ifx\hhh\empty% aaa and hhh are absent - \gdef\@ylii{-171}\gdef\@yli{-303}\global\@ylswtrue%\@ylbtrue% subst. on 2 - \else%hhh is present - \gdef\@ylii{-213}\gdef\@yli{-327}\global\@ylswtrue%\@ylbtrue% subst. on 2 - \fi - \else - \gdef\@ylii{-213}\gdef\@yli{-327}\global\@ylswtrue%\@ylbtrue% subst. on 2 - \fi - \or\ifx\ccc\empty - \gdef\@ylii{-171}\gdef\@yli{-103}\global\@ylswtrue%\@ylctrue% subst. on 3 - \else - \gdef\@ylii{-213}\gdef\@yli{-79}\global\@ylswtrue%\@ylctrue% subst. on 3 - \fi - \or - \ifx\ddd\empty - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%\@yldtrue% subst. on 4 - \else% ddd present - \gdef\@ylii{0}\gdef\@yli{36}\global\@ylswtrue%\@yldtrue% subst. on 4 - \fi - \or - \ifx\eee\empty - \gdef\@ylii{173}\gdef\@yli{-103}\global\@ylswtrue%\@yletrue% subst. on 5 - \else% eee is present - \gdef\@ylii{223}\gdef\@yli{-79}\global\@ylswtrue%\@yletrue% subst. on 5 - \fi - \or - \ifx\fff\empty - \gdef\@ylii{173}\gdef\@yli{-303}\global\@ylswtrue%\@ylftrue% subst. on 6 - \else%fff is present - \gdef\@ylii{213}\gdef\@yli{-327}\global\@ylswtrue%\@ylftrue% subst. on 6 - \fi -\fi%end of ifcase -\fi\fi\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% -% The macro |\test@vertix@decavb| determines the presence of -% a hetro atom or a spriro ring at each of the vertices. -% \changes{v2.00}{1998/12/25}{Added: spiro rings} -% -% \begin{macro}{\test@vertix@decavb} -% \begin{macrocode} -\def\test@vertix@decavb#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa% - \or% \xdef\aaa{\@memberb}%1 - \if\@tmpb s\relax\def\aaa{}\else\def\aaa{@}\fi - \or% \xdef\bbb{\@memberb}%2 - \if\@tmpb s\relax\def\bbb{}\else\def\bbb{@}\fi - \or% \xdef\ccc{\@memberb}%3 - \if\@tmpb s\relax\def\ccc{}\else\def\ccc{@}\fi - \or% - \if\@tmpb a% - \def\iii{@}%4a - \else\if\@tmpb s% - \def\ddd{}%4 - \else\if\@tmpb h% - \def\ddd{@}%4 - \else\ifx\@tmpb\empty% - \def\ddd{@}%4 - \fi\fi\fi\fi% - \or% \xdef\eee{\@memberb}%5 - \if\@tmpb s\relax\def\eee{}\else\def\eee{@}\fi - \or% \xdef\fff{\@memberb}%6 - \if\@tmpb s\relax\def\fff{}\else\def\fff{@}\fi - \or% \xdef\ggg{\@memberb}%7 - \if\@tmpb s\relax\def\ggg{}\else\def\ggg{@}\fi - \or% - \if\@tmpb a% - \def\jjj{@}%8a - \else\if\@tmpb s% - \def\hhh{}%8 - \else\if\@tmpb h% - \def\hhh{@}%4 - \else\ifx\@tmpb\empty% - \def\hhh{@}%4 - \fi\fi\fi\fi% -\or% \xdef\iii{\@memberb}%9 (= 4a) - \if\@tmpb s\relax\def\iii{}\else\def\iii{@}\fi -\or% \xdef\jjj{\@memberb}%10 (= 8a) - \if\@tmpb s\relax\def\jjj{}\else\def\jjj{@}\fi -\fi\fi}% -}% end of the macro \test@vertix@decavb -% \end{macrocode} -% \end{macro} -% -% The macro |\set@vrtx@decafusevb| typesets a hetero atom -% at each fused position. -% \changes{v2.00}{1998/12/25}{Added: spiro rings} -% -% \begin{macro}{\set@vrtx@decafusevb} -% \begin{macrocode} -\def\set@vrtx@decafusevb#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa\or\or\or - \or%%%%4 - \if\@tmpb a% - \global\@icliptrue% - \putlatom{-135}{280}{\@memberb}% % left type - \else\relax - \fi - \or\or\or - \or%8 - \if\@tmpb a% - \global\@jcliptrue% - \putratom{-31}{356}{\@memberb}% % right type - \else\relax - \fi -\or%9 (= 4a) - \global\@icliptrue% - \putlatom{-135}{280}{\@memberb}% % left type -\or%10 (= 8a) - \global\@jcliptrue% - \putratom{-31}{356}{\@memberb}% % right type -\fi\fi}% -}% end of the macro \set@vrtx@decafusevb -% \end{macrocode} -% \end{macro} -% -% \subsection{Vertical-top type} -% -% The macro |\decaheterovt| is used for drawing six-to-six fused derivatives -% of vertical-bottom type (numbering from the top to the left-down part). -% The word ``vertical'' means that each benzene ring is a vertical type. -% The word ``top'' means that the benzene ring with young locant numbers -% is located at the top. -% The skeleton and endocyclic double bonds are drawn directly, -% while substituents and exocyclic bonds are placed by useing -% the inner macro |\setsixringv|. -% \changes{v1.02}{1998/10/18}{Newly added command} -% -% \begin{verbatim} -% **************************** -% * decaheterovt derivatives * -% * (vertical-top type) * -% **************************** -% The following numbering is adopted in this macro. -% -% 2 -% * -% 1 * * 3 -% | | -% | | -% 0G (8a) * * 4 -% 8 * * 0F(4a) -% | | -% | | -% 7 * * 5 -% * -% 6 -% ^ -% | -% the original point -% \end{verbatim} -% -% The macro |\decaheterovt| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \decaheterovt(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `k' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to k, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `A' and `B' represent aromatic circles. The option -% `$n+$' ($n=1$ to $10$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of bonds -% -% none or r : decahetero (right-handed) -% l : decahetero (left-handed) -% [] : fully saturated form -% a : 1,2-double bond b : 2,3-double bond -% c : 4,3-double bond d : 4,4a-double bond -% e : 4a,5-double bond f : 5,6-double bond -% g : 6,7-double bond h : 7,8-double bond -% i : 8,8a-double bond j : 1,8a-double bond -% k : 4a,8a-double bond -% K : 4a,8a-double bond in the other ring -% A : aromatic circle B : aromatic circle -% {n+} : plus at the n-nitrogen atom (n = 1 to 10) -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 10 atoms) -% -% for n = 1 to 8 -% -% n : Hetero atom, e.g. N, O, etc. at n-position -% e.g. 1==N for N at 1-position -% na : Hetero atom at 4a or 8b (n=4 or 8) -% e.g. 4a==N (or 9==N) for N at 4a-position -% 8a==N (or {{10}}==N) for N at 8a-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 8 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% for 9 (4a position) and 10 (8a position) -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges may be regarded as both fused and non-fused -% positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a to k: see BONDLIST) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \decaheterovt{1==N}{1==Cl;2==F} -% \decaheterovt[c]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \decaheterovt[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl} -% \end{verbatim} -% -% The definition of |\decaheterovt| uses a picture environment and -% consists of the same unit processes as shown in |\sixheterov|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by using |\setsixringv| several times. -% \end{enumerate} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/10/31}{Add: Spiro and fused rings} -% -% \begin{macro}{\decaheterovt} -% \begin{macro}{\@deca@heterovt} -% \begin{macro}{\@deca@@heterovt} -% \begin{macro}{\@decaheterovt} -% \begin{macrocode} -\def\decaheterovt{\@ifnextchar({\@deca@heterovt(@}{\@deca@heterovt(@)}} -\def\@deca@heterovt(#1){\@ifnextchar[{\@deca@@heterovt(#1)[@}% -{\@deca@@heterovt(#1)[@]}} -\def\@deca@@heterovt(#1)[#2]#3#4{\@ifnextchar[% -{\@decaheterovt(#1)[#2]{#3}{#4}[@}% -{\@decaheterovt(#1)[#2]{#3}{#4}[@]}} -\def\@decaheterovt(#1)[#2]#3#4[#5]{% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniflag\iniatom% -\test@vertix@decavb{#3}% -% %%%%%%%%%%%%%%%%%%%%%%% -% % adjustment for (yl) % -% %%%%%%%%%%%%%%%%%%%%%%% -\@reset@ylsw% -{\let\fff=\aaa -\ylhetpositiont{#4}{5}{5}{7}{0}% %substituent on 1 -}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-171}\def\@@yli{-303}\fi -\else -{\let\aaa=\bbb\let\bbb=\ccc\let\ccc=\ddd -\ylhetpositiont{#4}{-1}{0}{4}{0}% %substituents on 2 to 4 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-171}\def\@@yli{-303}\fi -\else -{\let\ccc=\eee\let\ddd=\fff -\let\eee=\ggg\let\fff=\hhh -\ylhetpositiont{#4}{-2}{2}{7}{0}% %substituents on 5 to 8 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@iclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-8}{5}% %9 %for 4a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-171}\def\@@yli{-303}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@jclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-9}{11}% %10 for 8a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{-406}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(1200,880)(-\shiftii,-\shifti)% - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `decaheterovt' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -\begingroup -\resetbdsw% -\@bond@@omit{#5}% -{% - \let\fff=\aaa \let\aaa=\bbb \let\bbb=\ccc - \let\ccc=\ddd \let\ddd=\iii \let\eee=\jjj -\put(171,303){\set@skel@bond{#1}{b}{a}}% - % bond between 2 and 3 \@bbb -> \skbonda etc -\put(171,303){\set@skel@bond{#1}{c}{b}}% - % bond between 3 and 4 \@ccc -> \skbondb etc -\put(171,303){\set@skel@bond{#1}{d}{c}}% - % bond between 4 and 4a \@ddd -> \skbondc etc -\put(171,303){\set@skel@bond{#1}{k}{d}}% - % bond between 4a and 8a \@kkk -> \skbondd etc -\put(171,303){\set@skel@bond{#1}{j}{e}}% - % bond between 8a and 1 \@jjj -> \skbonde etc -\put(171,303){\set@skel@bond{#1}{a}{f}}% - % bond between 1 and 2 \@aaa -> \skbondf etc -}% -{% - \let\aaa=\jjj\let\bbb=\iii - \let\ccc=\eee\let\ddd=\fff - \let\eee=\ggg\let\fff=\hhh -\set@skel@bond{#1}{e}{b}% bond between 4a and 5 \@eee -> \skbondb etc -\set@skel@bond{#1}{f}{c}% bond between 5 and 6 \@fff -> \skbondc etc -\set@skel@bond{#1}{g}{d}% bond between 6 and 7 \@ggg -> \skbondd etc -\set@skel@bond{#1}{h}{e}% bond between 7 and 8 \@hhh -> \skbonde etc -\set@skel@bond{#1}{i}{f}% bond between 8 and 8a \@iii -> \skbondf etc -}% -\endgroup -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r\relax% -{% - \let\ccc=\eee\let\ddd=\fff\let\eee=\ggg\let\fff=\ggg - \put(0,0){\bondc}% bond between 7 and 8 - \put(0,0){\bonde}% bond between 5 and 6 -}% -{% - \let\fff=\aaa\let\aaa=\bbb - \let\bbb=\ccc\let\ccc=\ddd - \let\ddd=\iii\let\eee=\jjj - \put(171,303){\bondf}% bond between 1 and 2 - \put(171,303){\bondb}% bond between 3 and 4 - \put(171,303){\bondd}% bond between 4a and 8a -}% -\else\if\member l\relax% -\else\if\member a\relax% -{\let\fff=\aaa\let\aaa=\bbb - \put(171,303){\bondf}% bond between 1 and 2 -}% -\else\if\member b\relax -{\let\aaa=\bbb\let\bbb=\ccc - \put(171,303){\bonda}% bond between 2 and 3 -}% -\else\if\member c\relax -{\let\bbb=\ccc\let\ccc=\ddd - \put(171,303){\bondb}% bond between 3 and 4 -}% -\else\if\member d\relax% -{\let\ccc=\ddd\let\ddd=\eee - \put(171,303){\bondc}% bond between 4 and 4a -}% -\else\if\member e\relax% -{\let\ccc=\eee\let\bbb=\iii% - \put(0,0){\bondb}% bond between 5 and 4a -}% -\else\if\member f\relax% -{\let\ccc=\eee\let\ddd=\fff - \put(0,0){\bondc}% bond between 5 and 6 -}% -\else\if\member g\relax% -{\let\ddd=\fff\let\eee=\ggg - \put(0,0){\bondd}% bond between 6 and 7 -}% -\else\if\member h\relax% -{\let\eee=\ggg \let\fff=\hhh% - \put(0,0){\bonde}% bond between 8 and 7 -}% -\else\if\member i\relax% -{\let\aaa=\jjj \let\fff=\hhh% - \put(0,0){\bondf}% bond between 8 and 8a -}% -\else\if\member j\relax% -{\let\fff=\aaa\let\eee=\jjj% - \put(171,303){\bonde}% bond between 1 and 8a -}% -\else\if\member k\relax% -{\let\aaa=\jjj\let\bbb=\iii% - \put(0,0){\bonda}% bond between 8a and 4a -}% -\else\if\member K\relax% -{\let\eee=\jjj\let\ddd=\iii% - \put(171,303){\bondd}% bond between 8a and 4a in the other ring -}% -\else\if\member A%left aromatic circle - \put(171,506){\circle{240}} %circle -\else\if\member B%left aromatic circle - \put(0,203){\circle{240}} %circle -\else - \expandafter\twoCH@@R\member//% - \def\aax{8a}\def\aay{4a}\def\aaz{10}% - \if\@@tmpa 1\relax% % plus charge etc. - \putlatom{111}{546}{\@@tmpb}% % left type - \else\if\@@tmpa 2\relax% - \putlatom{209}{585}{\@@tmpb}% % left type - \else\if\@@tmpa 3\relax% - \putratom{209}{546}{\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{209}{431}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putratom{-38}{68}{\@@tmpb}% % right type - \else\if\@@tmpa 7\relax% - \putratom{-120}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 8\relax% - \putlatom{-60}{253}{\@@tmpb}% % left type - \else\if\@@tmpa 9\relax% - \putratom{60}{253}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aaz\relax% - \putratom{-38}{282}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aax\relax% - \putratom{-38}{282}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aay\relax% - \putratom{60}{253}{\@@tmpb}% % right type - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -% *********************** -% * setting fused rings * -% *********************** - \expandafter\twoCH@R\member//% - \set@fusion@decavt -\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -\fi\fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\iniflag -\put(0,0){\set@hetatom@sixv{#3}{-2}{2}{7}{0}% - \@hclipfalse \if@fclip \global\@hcliptrue \fi% - \@gclipfalse \if@eclip \global\@gcliptrue \fi% - \@fclipfalse \if@clip \global\@fcliptrue \fi% - \@eclipfalse \if@cclip \global\@ecliptrue \fi% -}% %substituents on 5 to 8 -\put(0,0){\set@vrtx@decafusevt{#3}% - \if@iclip \global\@icliptrue \fi - \if@jclip \global\@jcliptrue \fi -}%9 %for 4a position, %10 for 8a position -%to be done after all (exept aclip) -\put(171,303){\set@hetatom@sixv{#3}{-1}{0}{4}{0}% -\@clipfalse \if@cclip \global\@cliptrue \fi% -\@cclipfalse \if@bclip \global\@ccliptrue \fi% -\@bclipfalse \if@aclip \global\@bcliptrue \fi% -}% %substituents on 2 to 4 -{% -\@fclipfalse%locally cancelled 1999/2/15 by Shinsaku Fujita -\put(171,303){\set@hetatom@sixv{#3}{5}{5}{7}{0}% -\@aclipfalse \if@fclip \global\@acliptrue \fi% -}% %substituent on 1 -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents and exocyclic bonds % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -{% -\@fclipfalse \if@aclip \@fcliptrue \fi% -\put(171,303){\setsixringv{#4}{5}{5}{7}{0}}% %substituent on 1 -}% -{% -\@aclipfalse \if@bclip \@acliptrue \fi% -\@bclipfalse \if@cclip \@bcliptrue \fi% -\@cclipfalse \if@clip \@ccliptrue \fi% -\put(171,303){\setsixringv{#4}{-1}{0}{4}{0}}% %substituents on 2 to 4 -}% -{% - \@cclipfalse \if@eclip \@ccliptrue \fi% - \@clipfalse \if@fclip \@cliptrue \fi% - \@eclipfalse \if@gclip \@ecliptrue \fi% - \@fclipfalse \if@hclip \@fcliptrue \fi% -\put(0,0){\setsixringv{#4}{-2}{2}{7}{0}}% %substituents on 5 to 8 -}% -{\@clipfusefalse \if@iclip \@clipfusetrue \fi% - \put(171,303){\setatombond{#4}{-8}{5}}% %9 %for 4a position -}% -{\@clipfusefalse \if@jclip \@clipfusetrue \fi% - \put(0,406){\setatombond{#4}{-9}{11}}% %10 for 8a position -}% -\end{picture}\iniatom\iniflag}% %end of \decaheterovt macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The command |\ylhetpositiont| is used in the |\decaheterovt| command, -% giving the sift values for drawing a structure as a substituent. -% \changes{v1.02}{1998/10/18}{Newly added command} -% -% \begin{macro}{\ylhetpositiont} -% \begin{macrocode} -\def\ylhetpositiont#1#2#3#4#5{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}\relax% -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifnum#5<0\relax% -\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax% -\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax\fi -\ifnum\@tmpaa>#3\relax% -\ifnum\@tmpaa<#4\relax% -\ifcase\@tmpaa%0 omit - \or - \ifx\aaa\empty% - \ifx\bbb\empty% aaa and bbb are absent - \gdef\@ylii{0}\gdef\@yli{-406}\global\@ylswtrue%\@ylatrue% subst. on 1 - \else% bbb is present - \gdef\@ylii{0}\gdef\@yli{-442}\global\@ylswtrue%\@ylatrue% subst. on 1 - \fi - \else%aaa is present - \gdef\@ylii{0}\gdef\@yli{-442}\global\@ylswtrue%\@ylatrue% subst. on 1 - \fi - \or - \ifx\bbb\empty - \ifx\ccc\empty% aaa and ccc are absent - \gdef\@ylii{-171}\gdef\@yli{-303}\global\@ylswtrue%\@ylbtrue% subst. on 2 - \else%ccc is present - \gdef\@ylii{-213}\gdef\@yli{-327}\global\@ylswtrue%\@ylbtrue% subst. on 2 - \fi - \else - \gdef\@ylii{-213}\gdef\@yli{-327}\global\@ylswtrue%\@ylbtrue% subst. on 2 - \fi - \or - \ifx\ccc\empty - \ifx\ddd\empty - \ifx\eee\empty% ccc, ddd, eee are absent - \gdef\@ylii{-171}\gdef\@yli{-103}\global\@ylswtrue%\@ylctrue%subst. on 3 - \else%eee is present - \gdef\@ylii{-213}\gdef\@yli{-79}\global\@ylswtrue%\@ylctrue% subst. on 3 - \fi - \else%ddd is present - \gdef\@ylii{-213}\gdef\@yli{-79}\global\@ylswtrue%\@ylctrue% subst. on 3 - \fi - \else%ccc is present - \gdef\@ylii{-213}\gdef\@yli{-79}\global\@ylswtrue%\@ylctrue% subst. on 3 - \fi - \or - \ifx\ddd\empty - \ifx\fff\empty%ddd and fff are absent - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%\@yldtrue% subst. on 4 - \else%fff present - \gdef\@ylii{0}\gdef\@yli{36}\global\@ylswtrue%\@yldtrue% subst. on 4 - \fi - \else% ddd present - \gdef\@ylii{0}\gdef\@yli{36}\global\@ylswtrue%\@yldtrue% subst. on 4 - \fi - \or - \ifx\eee\empty - \ifx\ggg\empty%eee and ggg are absent - \gdef\@ylii{173}\gdef\@yli{-103}\global\@ylswtrue%\@yletrue% subst. on 5 - \else% ggg is present - \gdef\@ylii{223}\gdef\@yli{-79}\global\@ylswtrue%\@yletrue% subst. on 5 - \fi - \else% eee is present - \gdef\@ylii{223}\gdef\@yli{-79}\global\@ylswtrue%\@yletrue% subst. on 5 - \fi - \or - \ifx\fff\empty - \ifx\hhh\empty%fff and hhh are absent - \gdef\@ylii{173}\gdef\@yli{-303}\global\@ylswtrue%\@ylftrue% subst. on 6 - \else%hhh is present - \gdef\@ylii{213}\gdef\@yli{-327}\global\@ylswtrue%\@ylftrue% subst. on 6 - \fi - \else%fff is present - \gdef\@ylii{213}\gdef\@yli{-327}\global\@ylswtrue%\@ylftrue% subst. on 6 - \fi -\fi%end of ifcase -\fi\fi\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% -% The macro |\set@vrtx@decafusevt| is used to typeset a hetero -% atom at each fused vertex (4a or 8a) of a decaheterovt ring. -% -% \begin{macro}{\set@vrtx@decafusevt} -% \begin{macrocode} -\def\set@vrtx@decafusevt#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa\or\or\or - \or%%%%4 - \if\@tmpb a% - \global\@icliptrue% - \putratom{135}{280}{\@memberb}% % right type - \else\relax - \fi - \or\or\or - \or%8 - \if\@tmpb a% - \global\@jcliptrue% - \putlatom{31}{356}{\@memberb}% % left type - \else\relax - \fi -\or%9 (= 4a) - \global\@icliptrue% - \putratom{135}{280}{\@memberb}% % right type -\or%10 (= 8a) - \global\@jcliptrue% - \putlatom{31}{356}{\@memberb}% % left type -\fi\fi}% -}% end of the macro \set@vrtx@decafusevt -% \end{macrocode} -% \end{macro} -% -% \subsection{Short-cut commands for fused heterocycles} -% -% The macros |\decaheterov|, |\decaheterovb|, and -% |\decaheterovt| can be used in the form of a fixed |ATOMLIST|. -% Hence, the resulting commands for drawing a fused heterocyle -% with one or more nitrogen atoms have an argument |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% -% \begin{verbatim} -% **************************************************** -% * heterocycles having two fused six-membered rings * -% * (vertical type) * -% **************************************************** -% -% \quinolinev[BONDLIST]{SUBSLIST} -% \quinolinevi[BONDLIST]{SUBSLIST} -% \quinolinevb[BONDLIST]{SUBSLIST} -% \quinolinevt[BONDLIST]{SUBSLIST} -% -% \isoquinolinev[BONDLIST]{SUBSLIST} -% \isoquinolinevi[BONDLIST]{SUBSLIST} -% \isoquinolinevb[BONDLIST]{SUBSLIST} -% \isoquinolinevt[BONDLIST]{SUBSLIST} -% -% \quinoxalinev[BONDLIST]{SUBSLIST} -% \quinoxalinevi[BONDLIST]{SUBSLIST} -% \quinoxalinevb[BONDLIST]{SUBSLIST} -% \quinoxalinevt[BONDLIST]{SUBSLIST} -% -% \quinazolinev[BONDLIST]{SUBSLIST} -% \quinazolinevi[BONDLIST]{SUBSLIST} -% \quinazolinevb[BONDLIST]{SUBSLIST} -% \quinazolinevt[BONDLIST]{SUBSLIST} -% -% \cinnolinev[BONDLIST]{SUBSLIST} -% \cinnolinevi[BONDLIST]{SUBSLIST} -% \cinnolinevb[BONDLIST]{SUBSLIST} -% \cinnolinevt[BONDLIST]{SUBSLIST} -% -% \pteridinev[BONDLIST]{SUBSLIST} -% \pteridinevi[BONDLIST]{SUBSLIST} -% \pteridinevb[BONDLIST]{SUBSLIST} -% \pteridinevt[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one character selected -% from a to k (K), each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The optiona `A' and `B' typeset aromatic circles. -% The option -% `$n+$' ($n=1$ to $10$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of bonds -% -% none or r : decahetero (right-handed) -% l : decahetero (left-handed) -% [] : fully saturated form -% a : 1,2-double bond b : 2,3-double bond -% c : 4,3-double bond d : 4,4a-double bond -% e : 4a,5-double bond f : 5,6-double bond -% g : 6,7-double bond h : 7,8-double bond -% i : 8,8a-double bond j : 1,8a-double bond -% k : 4a,8a-double bond -% K : 4a,8a-double bond in the other ring -% A : aromatic circle B : aromatic circle -% {n+} : plus at the n-nitrogen atom (n = 1 to 10) -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 8 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% for 9 (4a position) and 10 (8a position) -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \quinolinev{3==Cl;2==F} -% \quinolinev{3==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% \begin{macro}{\quinolinev} -% \begin{macro}{\quinolinevi} -% \begin{macro}{\quinolinevb} -% \begin{macro}{\quinolinevt} -% \changes{v1.02}{1998/10/18}{Newly added commands: -% \cs{quinolinevb} and \cs{quinolinevt}} -% \begin{macrocode} -\def\quinolinev{% - \@ifnextchar[{\@quinolinev[@}{\@quinolinev[acfhk]}} -\def\@quinolinev[#1]#2{% -\iforigpt \typeout{command `quinolinev' % - is based on `decaheterov'.}\fi% -\decaheterov[#1]{1==N}{#2}} -\def\quinolinevi{% - \@ifnextchar[{\@quinolinevi[@}{\@quinolinevi[acfhk]}} -\def\@quinolinevi[#1]#2{% -\iforigpt \typeout{command `quinolinevi' % - is based on `decaheterovi'.}\fi% -\decaheterovi[#1]{1==N}{#2}} -\def\quinolinevb{% - \@ifnextchar[{\@quinolinevb[@}{\@quinolinevb[acfhk]}} -\def\@quinolinevb[#1]#2{% -\iforigpt \typeout{command `quinolinevb' % - is based on `decaheterovb'.}\fi% -\decaheterovb[#1]{1==N}{#2}} -\def\quinolinevt{% - \@ifnextchar[{\@quinolinevt[@}{\@quinolinevt[acfhk]}} -\def\@quinolinevt[#1]#2{% -\iforigpt \typeout{command `quinolinevt' % - is based on `decaheterovt'.}\fi% -\decaheterovt[#1]{1==N}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\isoquinolinev} -% \begin{macro}{\isoquinolinevi} -% \begin{macro}{\isoquinolinevb} -% \begin{macro}{\isoquinolinevt} -% \changes{v1.02}{1998/10/18}{Newly added commands: -% \cs{isoquinolinevb} and \cs{isoquinolinevt}} -% \begin{macrocode} -\def\isoquinolinev{% - \@ifnextchar[{\@isoquinolinev[@}{\@isoquinolinev[acfhk]}} -\def\@isoquinolinev[#1]#2{% -\iforigpt \typeout{command `isoquinolinev' % - is based on `decaheterov'.}\fi% -\decaheterov[#1]{2==N}{#2}} -\def\isoquinolinevi{% - \@ifnextchar[{\@isoquinolinevi[@}{\@isoquinolinevi[acfhk]}} -\def\@isoquinolinevi[#1]#2{% -\iforigpt \typeout{command `isoquinolinevi' % - is based on `decaheterovi'.}\fi% -\decaheterovi[#1]{2==N}{#2}}% -\def\isoquinolinevb{% - \@ifnextchar[{\@isoquinolinevb[@}{\@isoquinolinevb[acfhk]}} -\def\@isoquinolinevb[#1]#2{% -\iforigpt \typeout{command `isoquinolinevb' % - is based on `decaheterovi'.}\fi% -\decaheterovb[#1]{2==N}{#2}}% -\def\isoquinolinevt{% - \@ifnextchar[{\@isoquinolinevt[@}{\@isoquinolinevt[acfhk]}} -\def\@isoquinolinevt[#1]#2{% -\iforigpt \typeout{command `isoquinolinevt' % - is based on `decaheterovt'.}\fi% -\decaheterovt[#1]{2==N}{#2}}% -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\quinoxalinev} -% \begin{macro}{\quinoxalinevi} -% \begin{macro}{\quinoxalinevb} -% \begin{macro}{\quinoxalinevt} -% \changes{v1.02}{1998/10/18}{Newly added commands: -% \cs{quinoxalinevb} and \cs{quinoxalinevt}} -% \begin{macrocode} -\def\quinoxalinev{% - \@ifnextchar[{\@quinoxalinev[@}{\@quinoxalinev[acfhk]}} -\def\@quinoxalinev[#1]#2{% -\iforigpt \typeout{command `quinoxalinev' % - is based on `decaheterov'.}\fi% -\decaheterov[#1]{1==N;4==N}{#2}} -\def\quinoxalinevi{% - \@ifnextchar[{\@quinoxalinevi[@}{\@quinoxalinevi[acfhk]}} -\def\@quinoxalinev[#1]#2{% -\iforigpt \typeout{command `quinoxalinevi' % - is based on `decaheterovi'.}\fi% -\decaheterovi[#1]{1==N;4==N}{#2}} -\def\quinoxalinevb{% - \@ifnextchar[{\@quinoxalinevb[@}{\@quinoxalinevb[acfhk]}} -\def\@quinoxalinevb[#1]#2{% -\iforigpt \typeout{command `quinoxalinevb' % - is based on `decaheterovb'.}\fi% -\decaheterovb[#1]{1==N;4==N}{#2}} -\def\quinoxalinevt{% - \@ifnextchar[{\@quinoxalinevt[@}{\@quinoxalinevt[acfhk]}} -\def\@quinoxalinevt[#1]#2{% -\iforigpt \typeout{command `quinoxalinevt' % - is based on `decaheterovt'.}\fi% -\decaheterovt[#1]{1==N;4==N}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\quinazolinev} -% \begin{macro}{\quinazolinevi} -% \begin{macro}{\quinazolinevb} -% \begin{macro}{\quinazolinevt} -% \changes{v1.02}{1998/10/18}{Newly added commands: -% \cs{quinazolinevb} and \cs{quinazolinevt}} -% \begin{macrocode} -\def\quinazolinev{% - \@ifnextchar[{\@quinazolinev[@}{\@quinazolinev[acfhk]}} -\def\@quinazolinev[#1]#2{% -\iforigpt \typeout{command `quinazolinev' % - is based on `decaheterov'.}\fi% -\decaheterov[#1]{1==N;3==N}{#2}} -\def\quinazolinevi{% - \@ifnextchar[{\@quinazolinevi[@}{\@quinazolinevi[acfhk]}} -\def\@quinazolinevi[#1]#2{% -\iforigpt \typeout{command `quinazolinevi' % - is based on `decaheterovi'.}\fi% -\decaheterovi[#1]{1==N;3==N}{#2}} -\def\quinazolinevb{% - \@ifnextchar[{\@quinazolinevb[@}{\@quinazolinevb[acfhk]}} -\def\@quinazolinevb[#1]#2{% -\iforigpt \typeout{command `quinazolinevb' % - is based on `decaheterovb'.}\fi% -\decaheterovb[#1]{1==N;3==N}{#2}} -\def\quinazolinevt{% - \@ifnextchar[{\@quinazolinevt[@}{\@quinazolinevt[acfhk]}} -\def\@quinazolinevt[#1]#2{% -\iforigpt \typeout{command `quinazolinevt' % - is based on `decaheterovt'.}\fi% -\decaheterovt[#1]{1==N;3==N}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\cinnolinev} -% \begin{macro}{\cinnolinevi} -% \begin{macro}{\cinnolinevb} -% \begin{macro}{\cinnolinevt} -% \changes{v1.02}{1998/10/18}{Newly added commands: -% \cs{cinnolinevb} and \cs{cinnolinevt}} -% \begin{macrocode} -\def\cinnolinev{% - \@ifnextchar[{\@cinnolinev[@}{\@cinnolinev[acfhk]}} -\def\@cinnolinev[#1]#2{% -\iforigpt \typeout{command `cinnolinev' % - is based on `decaheterov'.}\fi% -\decaheterov[#1]{1==N;2==N}{#2}} -\def\cinnolinevi{% - \@ifnextchar[{\@cinnolinevi[@}{\@cinnolinevi[acfhk]}} -\def\@cinnolinevi[#1]#2{% -\iforigpt \typeout{command `cinnolinevi' % - is based on `decaheterovi'.}\fi% -\decaheterovi[#1]{1==N;2==N}{#2}} -\def\cinnolinevb{% - \@ifnextchar[{\@cinnolinevb[@}{\@cinnolinevb[acfhk]}} -\def\@cinnolinevb[#1]#2{% -\iforigpt \typeout{command `cinnolinevb' % - is based on `decaheterovb'.}\fi% -\decaheterovb[#1]{1==N;2==N}{#2}} -\def\cinnolinevt{% - \@ifnextchar[{\@cinnolinevt[@}{\@cinnolinevt[acfhk]}} -\def\@cinnolinevt[#1]#2{% -\iforigpt \typeout{command `cinnolinevt' % - is based on `decaheterovt'.}\fi% -\decaheterovt[#1]{1==N;2==N}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\pteridinev} -% \begin{macro}{\pteridinevi} -% \begin{macro}{\pteridinevb} -% \begin{macro}{\pteridinevt} -% \changes{v1.02}{1998/10/18}{Newly added commands: -% \cs{pteridinevb} and \cs{pteridinevt}} -% \begin{macrocode} -\def\pteridinev{\@ifnextchar[{\@pteridinev[@}{\@pteridinev[acfhk]}} -\def\@pteridinev[#1]#2{% -\iforigpt \typeout{command `pteridinev' % - is based on `decaheterov'.}\fi% -\decaheterov[#1]{1==N;3==N;5==N;8==N}{#2}} -\def\pteridinevi{\@ifnextchar[{\@pteridinevi[@}{\@pteridinevi[acfhk]}} -\def\@pteridinevi[#1]#2{% -\iforigpt \typeout{command `pteridinevi' % - is based on `decaheterovi'.}\fi% -\decaheterovi[#1]{1==N;3==N;5==N;8==N}{#2}} -\def\pteridinevb{\@ifnextchar[{\@pteridinevb[@}{\@pteridinevb[acfhk]}} -\def\@pteridinevb[#1]#2{% -\iforigpt \typeout{command `pteridinevb' % - is based on `decaheterovb'.}\fi% -\decaheterovb[#1]{1==N;3==N;5==N;8==N}{#2}} -\def\pteridinevt{\@ifnextchar[{\@pteridinevt[@}{\@pteridinevt[acfhk]}} -\def\@pteridinevt[#1]#2{% -\iforigpt \typeout{command `pteridinevt' % - is based on `decaheterovt'.}\fi% -\decaheterovt[#1]{1==N;3==N;5==N;8==N}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \section{Six-to-five fused heterocycles} -% \subsection{Vertical type} -% -% The standard skeleton of a six-to-five fused heterocycle is selected -% to have the following locant numbers. -% -% \begin{verbatim} -% ************************** -% * nonahetero derivatives * -% * (vertical type) * -% ************************** -% The following numbering is adopted in this macro. -% -% 4 -% * 3a(8) -% 5 * * _____ 3 -% | | | -% | | | -% 6 * * * * 2 -% * 7a * -% 7 (9) 1 -% ^ -% | -% the original point -% \end{verbatim} -% -% The macro |\nonaheterov| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \nonaheterov(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `j' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to j, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The options `A' and `B' represent aromatic circles in two rings. -% The option `$n+$' ($n=1$ to $9$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of bonds -% -% none or r : aromatic six-membered ring -% [] : fully saturated form -% a : 1,2-double bond b : 2,3-double bond -% c : 3,3a-double bond d : 4,3a-double bond -% e : 4,5-double bond f : 5,6-double bond -% g : 6,7-double bond h : 7,7a-double bond -% i : 1,7a-double bond -% j : 3a,4a-double bond -% J : 3a,4a-double bond in the other ring -% A : aromatic circle (six-membered ring) -% B : aromatic circle (five-membered ring) -% {n+} : plus at the n-nitrogen atom (n = 1 to 9) -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 9 atoms) -% -% for n = 1 to 7 -% -% n : Hetero atom, e.g. N, O, etc. at n-position -% e.g. 1==N for N at 1-position -% na : Hetero atom at 3a or 7b (n=3 or 7) -% e.g. 3a==N (or 8==N) for N at 4a-position -% 7a==N (or 9==N) for N at 8a-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 8 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% for 8 (3a position) and 9 (7a position) -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges may be regarded as both fused and non-fused -% positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a to j: see BONDLIST) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \nonaheterov{1==N}{1==Cl;2==F} -% \nonaheterov[c]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% The definition of |\nonaheterov| uses a picture environment and -% consists of the same unit processes as shown in |\sixheterov|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by using |\setsixringv| several times in -% a restricted fashion. -% \end{enumerate} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/5}{Add: fused and spiro rings} -% -% \begin{macro}{\nonaheterov} -% \begin{macro}{\@nona@heterov} -% \begin{macro}{\@nona@@heterov} -% \begin{macro}{\@nonaheterov} -% \begin{macrocode} -\def\nonaheterov{\@ifnextchar({\@nona@heterov(@}{\@nona@heterov(@)}} -\def\@nona@heterov(#1){\@ifnextchar[{\@nona@@heterov(#1)[@}% -{\@nona@@heterov(#1)[@]}} -\def\@nona@@heterov(#1)[#2]#3#4{\@ifnextchar[% -{\@nonaheterov(#1)[#2]{#3}{#4}[@}% -{\@nonaheterov(#1)[#2]{#3}{#4}[@]}} -\def\@nonaheterov(#1)[#2]#3#4[#5]{% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniflag\iniatom% -\test@vertix@nonav{#3}% -% %%%%%%%%%%%%%%%%%%%%%%% -% % adjustment for (yl) % -% %%%%%%%%%%%%%%%%%%%%%%% -\@reset@ylsw% -\ylposition{#4}{5}{1}{5}{-1}% %substituents on 1 to 3 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi -\else -{\let\ddd=\eee\let\eee=\fff\let\fff=\ggg -\ylposition{#4}{11}{3}{7}{-1}% %substituents on 5 to 7 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\let\aaa=\hhh -\ylposition{#4}{-3}{0}{2}{0}%%substituent on 4 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@iclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-8}{7}% %9 %for 7a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-171}\def\@@yli{-103}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@jclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-7}{1}% %8 for 3a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-171}\def\@@yli{-303}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(1200,880)(-\shiftii,-\shifti)% - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `nonaheterov' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -\begingroup -\resetbdsw% -\@bond@@omit{#5}% -{\let\fff=\jjj \let\eee=\iii% -\put(342,0){\set@skel@bond{#1}{a}{c}}% - % bond between 1 and 2 \@aaa -> \skbondc etc -\put(342,0){\set@skel@bond{#1}{b}{b}}% - % bond between 2 and 3 \@bbb -> \skbondb etc -\put(342,0){\set@skel@longbond{#1}{c}{skbondhoriz}}% - % bond between 3 and 3a \@ccc -> \skbondhoriz etc -\put(342,0){\set@skel@bond{#1}{j}{e}}% - % bond between 3a and 7a \@jjj -> \skbonde etc -\put(342,0){\set@skel@bond{#1}{i}{d}}% - % bond between 7a and 1 \@iii -> \skbondd etc -}% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% -\set@skel@bond{#1}{d}{a}% bond between 3a and 4 \@ddd -> \skbonda etc -\set@skel@bond{#1}{h}{c}% bond between 7 and 7a \@hhh -> \skbondc etc -\set@skel@bond{#1}{g}{d}% bond between 6 and 7 \@ggg -> \skbondd etc -\set@skel@bond{#1}{f}{e}% bond between 5 and 6 \@fff -> \skbonde etc -\set@skel@bond{#1}{e}{f}% bond between 4 and 5 \@eee -> \skbondf etc -}% -\endgroup -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r\relax% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% - \put(0,0){\bondb}% bond between 3a and 7a - \put(0,0){\bondf}% bond between 4 and 5 - \put(0,0){\bondd}% bond between 6 and 7 -}% -\else\if\member l\relax% -\else\if\member a\relax% - \put(342,0){\bondc}% bond between 3 and 4 -\else\if\member b\relax% - \put(342,0){\bondb}% bond between 2 and 3 -\else\if\member c\relax% - \put(342,0){\bondhoriz}% bond between 3 and 3a -\else\if\member d\relax% -{\let\aaa=\hhh \let\bbb=\jjj% - \put(0,0){\bonda}% bond between 4 and 3a -} -\else\if\member e\relax% -{\let\aaa=\hhh \let\fff=\ggg% - \put(0,0){\bondf}% bond between 4 and 5 -}% -\else\if\member f\relax% -{\let\eee=\fff \let\fff=\ggg% - \put(0,0){\bonde}% bond between 5 and 6 -}% -\else\if\member g\relax% -{\let\ddd=\eee \let\eee=\fff% - \put(0,0){\bondd}% bond between 6 and 7 -}% -\else\if\member h\relax% -{\let\ccc=\iii \let\ddd=\eee% - \put(0,0){\bondc}% bond between 7 and 7a -}% -\else\if\member i\relax% -{\let\eee=\iii% - \put(342,0){\bondd}% bond between 1 and 7a -}% -\else\if\member j\relax% -{\let\ccc=\iii\let\bbb=\jjj% - \put(0,0){\bondb}% bond between 7a and 3a -}% -\else\if\member J\relax% -{\let\eee=\iii\let\fff=\jjj% - \put(342,0){\bonde}% bond between 7a and 3a -}% -\else\if\member A%left aromatic circle - \put(0,203){\circle{240}} %circle -\else\if\member B%left aromatic circle - \put(342,173){\circle{180}} %circle 1993/11/20 S.Fujita -\else - \expandafter\twoCH@@R\member//% - \def\aax{7a} \def\aay{3a}% - \if\@@tmpa 1\relax% - \putratom{304}{68}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{402}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{402}{253}{\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{-38}{282}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putlatom{-60}{120}{\@@tmpb}% % left type - \else\if\@@tmpa 6\relax% - \putlatom{-60}{253}{\@@tmpb}% % left type - \else\if\@@tmpa 7\relax% - \putratom{-38}{68}{\@@tmpb}% % right type - \else\if\@@tmpa 8\relax% - \putratom{60}{253}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aax\relax% - \putratom{60}{253}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aay\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 9\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -% *********************** -% * setting fused rings * -% *********************** - \expandafter\twoCH@R\member//% - \set@fusion@nonav -\fi\fi\fi\fi\fi\fi\fi\fi\fi% -\fi\fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms and spiro rings % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\iniflag\iniatom% -\@tmpclipfalse -%position 7 should be treated befor position 1 (using the same \if@clip) -\put(0,0){\set@hetatom@sixv{#3}{11}{3}{7}{-1}% - \@gclipfalse \if@fclip \global\@gcliptrue \fi% - \@fclipfalse \if@eclip \global\@fcliptrue \fi% - \@eclipfalse \if@clip \global\@ecliptrue \fi% -}%substituents on 5 to 7 -\put(342,0){\set@hetatom@sixv{#3}{5}{1}{5}{-1}% - \if@bclip \global\@bcliptrue\fi - \if@cclip \global\@ccliptrue\fi - \if@clip \global\@cliptrue\fi -}% %substituents on 1 to 3 -\put(0,0){\set@hetatom@sixv{#3}{-3}{0}{2}{0}% - \@aclipfalse \if@aclip \global\@hcliptrue \fi% -}%%substituent on 4 -\put(0,0){\set@vrtx@nonafusev{#3}% - \@tmpclipfalse - \if@iclip \global\@tmpcliptrue \fi - \if@jclip \global\@icliptrue \fi - \if@tmpclip \global\@jcliptrue \fi -}% fused positions -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents and exocyclic bonds % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\put(342,0){\setsixringv{#4}{5}{1}{5}{-1}}% %substituents on 1 to 3 -{\@clipfalse \if@eclip \@cliptrue \fi% %substituents on 5 to 7 - \@eclipfalse \if@fclip \@ecliptrue \fi% - \@fclipfalse \if@gclip \@fcliptrue \fi% -\put(0,0){\setsixringv{#4}{11}{3}{7}{-1}}% -}% -{\@aclipfalse \if@hclip \@acliptrue \fi% %substituent on 4 -\put(0,0){\setsixringv{#4}{-3}{0}{2}{0}}% -}% -{\@clipfusefalse \if@iclip \@clipfusetrue \fi% - \put(171,103){\setatombond{#4}{-8}{7}}% %9 for 7a position -}% -{\@clipfusefalse \if@jclip \@clipfusetrue \fi% - \put(171,303){\setatombond{#4}{-7}{1}}% %8 for 3a position -}% -\end{picture}\iniatom\iniflag}% %end of \nonaheterov macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The macro |\test@vertix@nonav| is used to test the presence of -% a hetero atom or a spiro substituent on a vertex of the -% nonaheterov nucleus. -% \changes{v2.00}{1998/12/05}{New command: \cs{test@vertix@nonav}} -% -% \begin{macro}{\test@vertix@nonav} -% \begin{macrocode} -\def\test@vertix@nonav#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa% - \or% - \if\@tmpb s\relax\def\ddd{}\else\def\ddd{@}\fi - \or%2 - \if\@tmpb s\relax\def\ccc{}\else\def\ccc{@}\fi - \or%3% - \if\@tmpb a% - \def\jjj{@}%3a - \else\if\@tmpb s% - \def\bbb{}%3 - \else\if\@tmpb h% - \def\bbb{@}%3 - \else\ifx\@tmpb\empty% - \def\bbb{@}%3 - \fi\fi\fi\fi% - \or%4 - \if\@tmpb s\relax\def\hhh{}\else\def\hhh{@}\fi - \or%5 - \if\@tmpb s\relax\def\ggg{}\else\def\ggg{@}\fi - \or%6 - \if\@tmpb s\relax\def\fff{}\else\def\fff{@}\fi - \or%7 - \if\@tmpb a% - \xdef\iii{@}%7a - \else\if\@tmpb s% - \xdef\eee{}%7s - \else\if\@tmpb h% - \xdef\eee{@}%7h - \else\ifx\@tmpb\empty% - \xdef\eee{@}%7 - \fi\fi\fi\fi% -\or%8 (= 3a) - \if\@tmpb s\relax\def\jjj{}\else\def\jjj{@}\fi -\or%9 (= 7a) - \if\@tmpb s\relax\def\iii{}\else\def\iii{@}\fi -\fi\fi}}% end of \test@vertix@nonav -% \end{macrocode} -% \end{macro} -% -% The macro |\set@vrtx@nonafusev| is used to set -% a hetero atom or on a vertex of a bridgehead location. -% -% \begin{macro}{\set@vrtx@nonafusev} -% \begin{macrocode} -\def\set@vrtx@nonafusev#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa\or\or - \or%%%%3 - \if\@tmpb a% - \global\@icliptrue% - \putlatom{207}{280}{\@memberb}% % left type - \else\relax - \fi - \or\or\or - \or%7 - \if\@tmpb a% - \global\@jcliptrue% - \putlatom{207}{65}{\@memberb}% % left type - \else\relax - \fi -\or%8 (= 3a) - \global\@icliptrue% - \putlatom{207}{280}{\@memberb}% % left type -\or%9 (= 7a) - \global\@jcliptrue% - \putlatom{207}{65}{\@memberb}% % left type -\fi\fi}% -}% end of the macro \set@vrtx@nonafusev -% \end{macrocode} -% \end{macro} -% -% \subsection{Inverse vertical type} -% -% The standard skeleton of a six-to-five fused heterocycle is selected -% to have the following locant numbers. -% -% \begin{verbatim} -% ********************************** -% * nonahetero derivatives * -% * (vertical type, inverse type) * -% ********************************** -% The following numbering is adopted in this macro. -% -% 7(10) 1 -% * 7a * -% 6 * * * * 2 -% | | | -% | |_____| -% 5 * * 3 -% * 3a(8) -% 4 -% ^ -% | -% the original point -% \end{verbatim} -% -% The macro |\nonaheterovi| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \nonaheterovi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `j' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to j, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The options `A' and `B' represent aromatic circles in two rings. -% The option `$n+$' ($n=1$ to $9$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of bonds -% -% none or r : aromatic six-membered ring -% [] : fully saturated form -% a : 1,2-double bond b : 2,3-double bond -% c : 3,3a-double bond d : 4,3a-double bond -% e : 4,5-double bond f : 5,6-double bond -% g : 6,7-double bond h : 7,7a-double bond -% i : 1,7a-double bond -% j : 3a,4a-double bond -% J : 3a,4a-double bond in the other ring -% A : aromatic circle (six-membered ring) -% B : aromatic circle (five-membered ring) -% {n+} : plus at the n-nitrogen atom (n = 1 to 9) -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 9 atoms) -% -% for n = 1 to 7 -% -% n : Hetero atom, e.g. N, O, etc. at n-position -% e.g. 1==N for N at 1-position -% na : Hetero atom at 3a or 7b (n=3 or 7) -% e.g. 3a==N (or 8==N) for N at 4a-position -% 7a==N (or 9==N) for N at 8a-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 8 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% for 8 (3a position) and 9 (7a position) -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges may be regarded as both fused and non-fused -% positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a to j: see BONDLIST) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \nonaheterovi{1==N}{1==Cl;2==F} -% \nonaheterovi[c]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% The definition of |\nonaheterovi| uses a picture environment and -% consists of the same unit processes as shown in |\sixheterov|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by using |\setsixringv| several times in -% a restricted fashion. -% \end{enumerate} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/05}{Added: spiro and fused rings} -% -% \begin{macro}{\nonaheterovi} -% \begin{macro}{\@nona@heterovi} -% \begin{macro}{\@nona@@heterovi} -% \begin{macro}{\@nonaheterovi} -% \begin{macrocode} -\def\nonaheterovi{\@ifnextchar({\@nona@heterovi(@}{\@nona@heterovi(@)}} -\def\@nona@heterovi(#1){\@ifnextchar[{\@nona@@heterovi(#1)[@}% -{\@nona@@heterovi(#1)[@]}} -\def\@nona@@heterovi(#1)[#2]#3#4{\@ifnextchar[% -{\@nonaheterovi(#1)[#2]{#3}{#4}[@}% -{\@nonaheterovi(#1)[#2]{#3}{#4}[@]}} -\def\@nonaheterovi(#1)[#2]#3#4[#5]{% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniflag\iniatom%initialize -\test@vertix@nonavi{#3}% -% %%%%%%%%%%%%%%%%%%%%%%% -% % adjustment for (yl) % -% %%%%%%%%%%%%%%%%%%%%%%% -\@reset@ylsw% -\ylposition{#4}{0}{0}{4}{0}% %substituents on 1 to 3 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi -\else -{\let\ddd=\eee\let\eee=\fff\let\fff=\ggg -\ylposition{#4}{0}{3}{7}{0}%%substituents on 4 to 6 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\let\aaa=\hhh -\ylposition{#4}{-6}{0}{2}{0}%%substituent on 7 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@iclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-7}{7}% %8 for 3a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-171}\def\@@yli{-103}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@jclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-8}{1}% %9 for 7a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-171}\def\@@yli{-303}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(1200,880)(-\shiftii,-\shifti)% - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `nonaheterovi' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -\begingroup -\resetbdsw% -\@bond@@omit{#5}% -{\let\fff=\jjj \let\eee=\iii% -\put(342,0){\set@skel@bond{#1}{a}{a}}% - % bond between 1 and 2 \@aaa -> \skbonda etc -\put(342,0){\set@skel@bond{#1}{b}{b}}% - % bond between 2 and 3 \@bbb -> \skbondb etc -\put(342,0){\set@skel@longbond{#1}{c}{skbondhorizi}}% - % bond between 3 and 3a \@ccc -> \skbondhoriz etc -\put(342,0){\set@skel@bond{#1}{j}{e}}% - % bond between 3a and 7a \@jjj -> \skbonde etc -\put(342,0){\set@skel@bond{#1}{i}{f}}% - % bond between 7a and 1 \@iii -> \skbondf etc -% -% \put(342,0){\skbonda}% bond between 1 and 2 -% \put(342,0){\skbondb}% bond between 2 and 3 -% \put(342,0){\skbonde}% bond between 7a and 3a -% \put(342,0){\skbondf}% bond between 1 and 7a -% \put(342,0){\skbondhorizi}% bond between 3 and 3a -}% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% -\set@skel@bond{#1}{h}{a}% bond between 7a and 7 \@hhh -> \skbonda etc -\set@skel@bond{#1}{d}{c}% bond between 3a and 4 \@ddd -> \skbondc etc -\set@skel@bond{#1}{e}{d}% bond between 4 and 5 \@eee -> \skbondd etc -\set@skel@bond{#1}{f}{e}% bond between 5 and 6 \@fff -> \skbonde etc -\set@skel@bond{#1}{g}{f}% bond between 6 and 7 \@ggg -> \skbondf etc -% -% \put(0,0){\skbonda}% bond between 7 and 7a -% \put(0,0){\skbondc}% bond between 4 and 3a -% \put(0,0){\skbondf}% bond between 6 and 7 -% \put(0,0){\skbondd}% bond between 4 and 5 -% \put(0,0){\skbonde}% bond between 5 and 6 -}% -\endgroup -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r\relax% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg - \let\ccc=\iii\let\bbb=\jjj - \put(0,0){\bondb}% bond between 3a and 7a - \put(0,0){\bondf}% bond between 6 and 7 - \put(0,0){\bondd}% bond between 4 and 5 -}% -\else\if\member l\relax% -\else\if\member a\relax% - \put(342,0){\bonda}% bond between 1 and 2 -\else\if\member b\relax% - \put(342,0){\bondb}% bond between 2 and 3 -\else\if\member c\relax% - \put(342,0){\bondhorizi}% bond between 3 and 3a -\else\if\member d\relax% -{\let\ccc=\iii \let\ddd=\eee% - \put(0,0){\bondc}% bond between 4 and 3a -}% -\else\if\member e\relax% -{\let\ddd=\eee\let\eee=\fff% - \put(0,0){\bondd}% bond between 4 and 5 -}% -\else\if\member f\relax% -{\let\eee=\fff \let\fff=\ggg% - \put(0,0){\bonde}% bond between 5 and 6 -}% -\else\if\member g\relax% -{\let\aaa=\hhh \let\fff=\ggg% - \put(0,0){\bondf}% bond between 7 and 6 -}% -\else\if\member h\relax% -{\let\aaa=\hhh \let\bbb=\jjj% - \put(0,0){\bonda}% bond between 7 and 7a -}% -\else\if\member i\relax% -{\let\fff=\jjj% - \put(342,0){\bondf}% bond between 1 and 7a -}% -\else\if\member j\relax% -{\let\ccc=\iii\let\bbb=\jjj% - \put(0,0){\bondb}% bond between 7a and 3a -}% -\else\if\member J\relax% -{\let\eee=\iii\let\fff=\jjj% - \put(342,0){\bonde}% bond between 7a and 3a -}% -\else\if\member A%left aromatic circle - \put(0,203){\circle{240}}% %circle -\else\if\member B%left aromatic circle - \put(342,233){\circle{180}} %circle 1993/11/20 S.Fujita -\else - \expandafter\twoCH@@R\member//% - \def\aax{7a} \def\aay{3a}% - \if\@@tmpa 1\relax% - \putratom{304}{282}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{402}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{402}{253}{\@@tmpb}% % right type - \else\if\@@tmpa 7\relax% - \putratom{-38}{282}{\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putlatom{-60}{120}{\@@tmpb}% % left type - \else\if\@@tmpa 5\relax% - \putlatom{-60}{253}{\@@tmpb}% % left type - \else\if\@@tmpa 4\relax% - \putratom{-38}{68}{\@@tmpb}% % right type - \else\if\@@tmpa 9\relax% - \putratom{60}{253}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aax\relax% - \putratom{60}{253}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aay\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 8\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -% *********************** -% * setting fused rings * -% *********************** - \expandafter\twoCH@R\member//% - \set@fusion@nonavi -\fi\fi\fi\fi\fi\fi\fi\fi\fi% -\fi\fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms and spiro rings % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\iniflag -\put(342,0){\set@hetatom@sixv{#3}{0}{0}{4}{0}% - \if@aclip \global\@acliptrue\fi - \if@bclip \global\@bcliptrue\fi - \if@cclip \global\@ccliptrue\fi -}% %substituents on 1 to 3 -\put(0,0){\set@hetatom@sixv{#3}{0}{3}{7}{0}% - \@gclipfalse \if@fclip \global\@gcliptrue \fi% - \@fclipfalse \if@eclip \global\@fcliptrue \fi% - \@eclipfalse \if@clip \global\@ecliptrue \fi}%substituents on 4 to 6 -\put(0,0){\set@hetatom@sixv{#3}{-6}{0}{2}{0}% - \@hclipfalse \if@aclip \global\@hcliptrue \fi}%%substituent on 7 -\put(0,0){\set@vrtx@nonafusevi{#3}% - \if@iclip \global\@icliptrue \fi - \if@jclip \global\@jcliptrue \fi}% fused positions -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents and exocyclic bonds % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\put(342,0){\setsixringv{#4}{0}{0}{4}{0}}% %substituents on 1 to 3 -{\@clipfalse \if@eclip \@cliptrue \fi% %substituents on 4 to 6 - \@eclipfalse \if@fclip \@ecliptrue \fi% - \@fclipfalse \if@gclip \@fcliptrue \fi% -\put(0,0){\setsixringv{#4}{0}{3}{7}{0}}% -}% -{\@aclipfalse \if@hclip \@acliptrue \fi% %substituent on 7 -\put(0,0){\setsixringv{#4}{-6}{0}{2}{0}}% -}% -{\@clipfusefalse \if@iclip \@clipfusetrue \fi% - \put(171,103){\setatombond{#4}{-7}{7}}% %8 for 3a position -}% -{\@clipfusefalse \if@jclip \@clipfusetrue \fi% - \put(171,303){\setatombond{#4}{-8}{1}}% %9 for 7a position -}% -\end{picture}\iniatom\iniflag}% %end of \nonaheterovi macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The macro |\test@vertix@nonavi| is used to test the presence of -% a hetero atom or a spiro substituent on a vertex of the -% nonaheterovi nucleus. -% \changes{v2.00}{1998/12/05}{New command: \cs{test@vertix@nonavi}} -% -% \begin{macro}{\test@vertix@nonavi} -% \begin{macrocode} -\def\test@vertix@nonavi#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa% - \or% - \if\@tmpb s\relax\def\aaa{}\else\def\aaa{@}\fi - \or%2 - \if\@tmpb s\relax\def\bbb{}\else\def\bbb{@}\fi - \or%3% - \if\@tmpb a% - \def\iii{@}%3a - \else\if\@tmpb s% - \def\ccc{}%3 - \else\if\@tmpb h% - \def\ccc{@}%3 - \else\ifx\@tmpb\empty% - \def\ccc{@}%3 - \fi\fi\fi\fi% - \or%4 - \if\@tmpb s\relax\def\eee{}\else\def\eee{@}\fi - \or%5 - \if\@tmpb s\relax\def\fff{}\else\def\fff{@}\fi - \or%6 - \if\@tmpb s\relax\def\ggg{}\else\def\ggg{@}\fi - \or%7 - \if\@tmpb a% - \xdef\jjj{@}%7a - \else\if\@tmpb s% - \xdef\hhh{}%7s - \else\if\@tmpb h% - \xdef\hhh{@}%7h - \else\ifx\@tmpb\empty% - \xdef\hhh{@}%7 - \fi\fi\fi\fi% -\or%8 (= 3a) - \if\@tmpb s\relax\def\iii{}\else\def\iii{@}\fi -\or%9 (= 7a) - \if\@tmpb s\relax\def\jjj{}\else\def\jjj{@}\fi -\fi\fi}} -% \end{macrocode} -% \end{macro} -% -% The macro |\set@vrtx@nonafusevi| is used to set -% a hetero atom on a vertex of a bridgehead location. -% \changes{v2.00}{1998/12/05}{New command: \cs{set@vrtx@nonafusevi}} -% -% \begin{macro}{\set@vrtx@nonafusevi} -% \begin{macrocode} -\def\set@vrtx@nonafusevi#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa\or\or - \or%%%%3 - \if\@tmpb a% - \global\@icliptrue% - \putlatom{207}{65}{\@memberb}% % left type - \else\relax - \fi - \or\or\or - \or%7 - \if\@tmpb a% - \global\@jcliptrue% - \putlatom{207}{280}{\@memberb}% % left type - \else\relax - \fi -\or%8 (= 3a) - \global\@icliptrue% - \putlatom{207}{65}{\@memberb}% % left type -\or%9 (= 7a) - \global\@jcliptrue% - \putlatom{207}{280}{\@memberb}% % left type -\fi\fi}% -}% end of the macro \set@vrtx@nonafusevi -% \end{macrocode} -% \end{macro} -% -% \subsection{Short-cut commands for fused heterocycles} -% -% The macros |\nonaheterov| and |\nonaheterovi| can be used in the -% form of a fixed |ATOMLIST|. Hence, the resulting commands for -% drawing a fused heterocyle with one or more nitrogen atoms -% have an argument |SUBSLIST| as well as an optional argument |BONDLIST|. -% -% \begin{verbatim} -% ********************************************************** -% * heterocycles having fused six- and five-membered rings * -% * (vertical type) * -% ********************************************************** -% -% N-heterocycles: -% -% \indolev[BONDLIST]{SUBSLIST} -% \indolevi[BONDLIST]{SUBSLIST} -% -% \isoindolev[BONDLIST]{SUBSLIST} -% \isoindolevi[BONDLIST]{SUBSLIST} -% -% \indolizinev[BONDLIST]{SUBSLIST} -% \indolizinevi[BONDLIST]{SUBSLIST} -% (different from the IUPAC numbering) -% -% \purinev[BONDLIST]{SUBSLIST} -% \purinevi[BONDLIST]{SUBSLIST} -% (different from the IUPAC numbering) -% -% O-heterocycles: -% -% \benzofuranev[BONDLIST]{SUBSLIST} -% \benzofuranevi[BONDLIST]{SUBSLIST} -% -% \isobenzofuranevi[BONDLIST]{SUBSLIST} -% -% \benzoxazolev[BONDLIST]{SUBSLIST} -% \benzoxazolevi[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one -% character selected from a to j, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The optiona `A' and `B' typeset aromatic circles. -% The option -% `$n+$' ($n=1$ to $9$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of bonds -% -% none or r : aromatic six-membered ring -% [] : fully saturated form -% a : 1,2-double bond b : 2,3-double bond -% c : 3,3a-double bond d : 4,3a-double bond -% e : 4,5-double bond f : 5,6-double bond -% g : 6,7-double bond h : 7,7a-double bond -% i : 1,7a-double bond -% J : 3a,4a-double bond in the other ring -% A : aromatic circle -% {n+} : plus at the n-nitrogen atom (n = 1 to 9) -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 8 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% for 8 (3a position) and 9 (7a position) -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% -% e.g. -% -% \indolev{1==N}{1==Cl;2==F} -% \indolev[c]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% \begin{macro}{\purinev} -% \begin{macro}{\purinevi} -% \begin{macrocode} -\def\purinev{\@ifnextchar[{\@purinev[@}{\@purinev[ra]}} -\def\@purinev[#1]#2{% -\iforigpt \typeout{command `purinev' % - is based on `nonaheterov'.}\fi% -\nonaheterov[#1]{1==N;3==N;5==N;7==N}{#2}} -\def\purinevi{\@ifnextchar[{\@purinevi[@}{\@purinevi[ra]}} -\def\@purinevi[#1]#2{% -\iforigpt \typeout{command `purinevi' % - is based on `nonaheterovi'.}\fi% -\nonaheterovi[#1]{1==N;3==N;5==N;7==N}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\indolev} -% \begin{macro}{\indolevi} -% \begin{macrocode} -\def\indolev{\@ifnextchar[{\@indolev[@}{\@indolev[rb]}} -\def\@indolev[#1]#2{% -\iforigpt \typeout{command `indolev' % - is based on `nonaheterov'.}\fi% -\nonaheterov[#1]{1==N}{#2}} -\def\indolevi{\@ifnextchar[{\@indolevi[@}{\@indolevi[rb]}} -\def\@indolevi[#1]#2{% -\iforigpt \typeout{command `indolevi' % - is based on `nonaheterovi'.}\fi% -\nonaheterovi[#1]{1==N}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\indolizinev} -% \begin{macro}{\indolizinevi} -% \begin{macrocode} -\def\indolizinev{% - \@ifnextchar[{\@indolizinev[@}{\@indolizinev[aceg]}} -\def\@indolizinev[#1]#2{% -\iforigpt \typeout{command `indolizinev' % - is based on `nonaheterov'.}\fi% -\nonaheterov[#1]{7a==N}{#2}} -\def\indolizinevi{% - \@ifnextchar[{\@indolizinevi[@}{\@indolizinevi[aceg]}} -\def\@indolizinevi[#1]#2{% -\iforigpt \typeout{command `indolizinevi' % - is based on `nonaheterovi'.}\fi% -\nonaheterovi[#1]{7a==N}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\isoindolev} -% \begin{macro}{\isoindolevi} -% \begin{macrocode} -\def\isoindolev{\@ifnextchar[{\@isoindolev[@}{\@isoindolev[cegi]}} -\def\@isoindolev[#1]#2{% -\iforigpt \typeout{command `isoindolev' % - is based on `nonaheterov'.}\fi% -\nonaheterov[#1]{2==N}{#2}} -\def\isoindolevi{\@ifnextchar[{\@isoindolevi[@}{\@isoindolevi[cegi]}} -\def\@isoindolevi[#1]#2{% -\iforigpt \typeout{command `isoindolevi' % - is based on `nonaheterovi'.}\fi% -\nonaheterovi[#1]{2==N}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\benzofuranev} -% \begin{macro}{\benzofuranevi} -% \begin{macrocode} -\def\benzofuranev{% - \@ifnextchar[{\@benzofuranev[@}{\@benzofuranev[rb]}} -\def\@benzofuranev[#1]#2{% -\iforigpt \typeout{command `benzofuranev' % - is based on `nonaheterov'.}\fi% -\nonaheterov[#1]{1==O}{#2}} -\def\benzofuranevi{% - \@ifnextchar[{\@benzofuranevi[@}{\@benzofuranevi[rb]}} -\def\@benzofuranevi[#1]#2{% -\iforigpt \typeout{command `benzofuranevi' % - is based on `nonaheterovi'.}\fi% -\nonaheterovi[#1]{1==O}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\isobenzofuranev} -% \begin{macro}{\isobenzofuranevi} -% \begin{macrocode} -\def\isobenzofuranev{\@ifnextchar[{\@isobenzofuranev[@}% - {\@isobenzofuranev[cegi]}} -\def\@isobenzofuranev[#1]#2{% -\iforigpt \typeout{command `isobenzofuranev' % - is based on `nonaheterov'.}\fi% -\nonaheterov[#1]{2==O}{#2}} -\def\isobenzofuranevi{\@ifnextchar[{\@isobenzofuranevi[@}% - {\@isobenzofuranevi[cegi]}} -\def\@isobenzofuranevi[#1]#2{% -\iforigpt \typeout{command `isobenzofuranevi' % - is based on `nonaheterovi'.}\fi% -\nonaheterovi[#1]{2==O}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\benzoxazolev} -% \begin{macro}{\benzoxazolevi} -% \begin{macrocode} -\def\benzoxazolev{% - \@ifnextchar[{\@benzoxazolev[@}{\@benzoxazolev[rb]}} -\def\@benzoxazolev[#1]#2{% -\iforigpt \typeout{command `benzoxazolev' % - is based on `nonaheterov'.}\fi% -\nonaheterov[#1]{1==O;3==N}{#2}} -\def\benzoxazolevi{% - \@ifnextchar[{\@benzoxazolevi[@}{\@benzoxazolevi[rb]}} -\def\@benzoxazolevi[#1]#2{% -\iforigpt \typeout{command `benzoxazolevi' % - is based on `nonaheterovi'.}\fi% -\nonaheterovi[#1]{1==O;3==N}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \section{Building blocks} -% \subsection{Six-membered ring unit} -% -% The old function (v1.01) of |\sixunitv| as a fusing ring unit -% is succeeded by |\sixfusev| and |\sixfusevi|. -% The command |\sixunitv| has been changed into a subsidiary -% command of |\sixheterov| (v2.00). -% -% The macro |\sixunitv| is a six-membered fragment that can be -% fused to another ring structure to produce a new ring system. -% The following -% numbering is adopted in this macro. -% -% \begin{verbatim} -% ********************** -% * six-membered unit * -% * (vertical type) * -% ********************** -% -% 1 -% * -% 6 * * 2 -% | | -% | | -% 5 * * 3 -% * -% 4 <===== the original point -% \end{verbatim} -% -% The macro |\sixunitv| has three arguments |ATOMLIST|, |SUBSLIST| -% and |OMIT| -% as well as an optional argument |BONDLIST|. -% -% \begin{verbatim} -% \sixunitv[BONDLIST]{ATOMLIST}{SUBSLIST}{OMIT} -% \end{verbatim} -% -% The |BONDLIST| argument contains one -% character selected from a to f, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `$n+$' ($n=1$ to $6$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST = -% -% none : fully saturated -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,6-double bond -% f : 6,1-double bond -% {n+} : plus at the n-nitrogen atom (n = 1 to 6) -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 6 atoms) -% -% for n = 1 to 6 -% -% n : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 6 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |OMIT| represents one bond to be omitted. -% The omitted edge is regarded as a fused position. -% -% \begin{verbatim} -% OMIT: one bond omitted (a, b, c, d, e, or f) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \sixhunitv{1==N}{1==Cl;2==F}{e} -% \end{verbatim} -% -% The definition of |\sixunitv| uses a picture environment and -% consists of the same unit processes as shown in |\sixheterov|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by using |\setsixringv|. -% \end{enumerate} -% -% \changes{v1.01a}{1998/06/08}{\cs{sixunitv} bug fix: -% \cs{bbb} to \cs{fff} and \cs{ccc} to \cs{eee}} -% -% \begin{macro}{\sixunitv} -% \begin{macro}{\@sixunitv} -% \begin{macrocode} -\def\sixunitv{\@ifnextchar[{\@sixunitv[@}{\@sixunitv[@]}} -\def\@sixunitv[#1]#2#3#4{\sixheterov[#1]{#2}{#3}[#4]} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{verbatim} -% (Old difinition) -% % \begin{macro}{\sixunitv} -% % \begin{macro}{\@sixunitv} -% % \begin{macrocode} -% \def\sixunitv{\@ifnextchar[{\@sixunitv}{\@sixunitv[r]}} -% \def\@sixunitv[#1]#2#3#4{% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%%%%%%%%%% -% % % treatment of atom list % -% % %%%%%%%%%%%%%%%%%%%%%%%%%% -% \iniatom\iniflag%initialize% -% \@forsemicol\member:=#2\do{% -% \expandafter\@m@mb@r\member;\relax% -% \expandafter\twoch@r\@membera{}% -% \ifcase\@tmpa% -% \or \xdef\aaa{\@memberb}% -% \or \xdef\bbb{\@memberb}% -% \or \xdef\ccc{\@memberb}% -% \or \xdef\ddd{\@memberb}% -% \or \xdef\eee{\@memberb}% -% \or \xdef\fff{\@memberb}% -% \fi}% -% \begin{picture}(800,880)(-\shiftii,-\shifti)% -% \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% -% \put(-\noshift,-\noshift){\circle{50}}% -% \typeout{command `sixunitv' origin: % -% (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%% -% % % outer skeleton % -% % %%%%%%%%%%%%%%%%%% -% % changed OMIT into a list 1993/11/21 by Shinsaku Fujita -% {\resetbdsw% -% \@tfor\memBer:=#4\do{% -% \if\memBer a\relax\gdef\@aaa{}\fi% -% \if\memBer b\relax\gdef\@bbb{}\fi% -% \if\memBer c\relax\gdef\@ccc{}\fi% -% \if\memBer d\relax\gdef\@ddd{}\fi% -% \if\memBer e\relax\gdef\@eee{}\fi% -% \if\memBer f\relax\gdef\@fff{}\fi% -% }% -% \if\@aaa a\relax\skbonda\fi% bond between 1 and 2 -% \if\@bbb b\relax\skbondb\fi% bond between 2 and 3 -% \if\@ccc c\relax\skbondc\fi% bond between 3 and 4 -% \if\@ddd d\relax\skbondd\fi% bond between 4 and 5 -% \if\@eee e\relax\skbonde\fi% bond between 5 and 6 -% \if\@fff f\relax\skbondf\fi% bond between 6 and 1 -% }% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%%%%% -% % % inner double bond % -% % %%%%%%%%%%%%%%%%%%%%% -% \@tfor\member:=#1\do{% -% \if\member r\relax% -% \else\if\member l\relax% -% \else\if\member a\relax% -% \ifx#4a\relax\else% -% \bonda% -% \fi% -% \else\if\member b\relax% -% \ifx#4b\relax\else% -% \bondb% -% \fi% -% \else\if\member c\relax% -% \ifx#4c\relax\else% -% \bondc% -% \fi% -% \else\if\member d\relax% -% \ifx#4d\relax\else% -% \bondd% -% \fi% -% \else\if\member e\relax% -% \ifx#4e\relax\else% -% \bonde% -% \fi% -% \else\if\member f\relax% -% \ifx#4f\relax\else% -% \bondf% -% \fi% -% \else\if\member A%left aromatic circle -% \put(0,203){\circle{240}}% %circle -% \else \expandafter\twoch@@r\member{}{}% -% \if\@@tmpa 1\relax% -% \putratom{-38}{282}{\@@tmpb}% % right type -% \else\if\@@tmpa 2\relax% -% \putratom{60}{253}{\@@tmpb}% % right type -% \else\if\@@tmpa 3\relax% -% \putratom{60}{120}{\@@tmpb}% % right type -% \else\if\@@tmpa 4\relax% -% \putratom{-38}{68}{\@@tmpb}% % right type -% \fi\fi\fi\fi% -% \fi\fi\fi\fi\fi\fi\fi\fi\fi% -% }% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%%%%%%%% -% % % setting hetero atoms % -% % %%%%%%%%%%%%%%%%%%%%%%%% -% \ifx\ddd\empty\else% -% \@cliptrue% -% \putratom{-31}{-10}{\ddd}% % right type -% \fi% -% \ifx\aaa\empty\else% -% \@acliptrue% -% \putratom{-31}{356}{\aaa}% % right type -% \fi% -% \ifx\bbb\empty\else% -% \@bcliptrue% -% \putratom{135}{280}{\bbb}% % right type -% \fi% -% \ifx\ccc\empty\else% -% \@ccliptrue% -% \putratom{135}{65}{\ccc}% % right type -% \fi% -% \ifx\fff\empty\else% -% \@fcliptrue% -% % \putlatom{-135}{280}{\bbb}% % left type -% \putlatom{-135}{280}{\fff}% % left type -% \fi% -% \ifx\eee\empty\else% -% \@ecliptrue% -% % \putlatom{-135}{65}{\ccc}% % left type -% \putlatom{-135}{65}{\eee}% % left type -% \fi% -% % %%%%%%%%%%%%%%%%%%%%%%%% -% % % setting substituents % -% % %%%%%%%%%%%%%%%%%%%%%%%% -% \setsixringv{#3}{0}{0}{7}{0}% -% \end{picture}\iniatom\iniflag}% %end of \sixunitv macro -% % \end{macrocode} -% % \end{macro} -% % \end{macro} -% % \end{verbatim} -% -% \subsection{Five-membered ring unit} -% \subsubsection{Vertical type} -% -% The old function (v1.01) of |\fiveunitv| as a fusing ring unit -% is succeeded by |\fivefusev|. -% The command |\fiveunitv| has been changed into a subsidiary -% command of |\fiveheterov| (v2.00). -% -% The macro |\fiveunitv| is a five-membered fragment that can be -% fused to another -% ring structure to produce a new ring system. The following -% numbering is adopted in this macro. -% -% \begin{verbatim} -% ********************** -% * five-membered unit * -% * (vertical type) * -% ********************** -% -% 4 _______ 3 -% | | -% | | -% 5 * * 2 -% * -% 1 <===== the original point -% \end{verbatim} -% -% The macro |\fiveunitv| has three arguments |ATOMLIST|, |SUBSLIST| -% and |OMIT| -% as well as an optional argument |BONDLIST|. -% -% \begin{verbatim} -% \fiveunitv[BONDLIST]{ATOMLIST}{SUBSLIST}{OMIT} -% \end{verbatim} -% -% The |BONDLIST| argument contains one -% character selected from a to e, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of inner double bonds -% -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,1-double bond -% {n+} : plus at the n-nitrogen atom (n = 1 to 5) -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 5 atoms) -% -% for n = 1 to 5 -% -% n : Hetero atom, e.g. N, O, etc. at n-position -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 5 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |OMIT| represents one bond to be omitted. -% The omitted edge is regarded as a fused position. -% -% \begin{verbatim} -% OMIT: one bond omitted (a, b, c, d, e, or f) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \fiveunitv{1==N}{1==H;2==F}{a} -% \end{verbatim} -% -% The definition of |\fiveunitv| uses a picture environment and -% consists of the same unit processes as shown in |\sixheterov|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by using |\setsixringv| partially. -% \end{enumerate} -% -% \begin{macro}{\fiveunitv} -% \begin{macro}{\@fiveunitv} -% \begin{macrocode} -\def\fiveunitv{\@ifnextchar[{\@fiveunitv[@}{\@fiveunitv[r]}} -\def\@fiveunitv[#1]#2#3#4{\fiveheterov[#1]{#2}{#3}[#4]} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{verbatim} -% (Old definition) -% % \begin{macro}{\fiveunitv} -% % \begin{macro}{\@fiveunitv} -% % \begin{macrocode} -% \def\fiveunitv{\@ifnextchar[{\@fiveunitv}{\@fiveunitv[r]}} -% \def\@fiveunitv[#1]#2#3#4{% -% \iniatom\iniflag%initialize -% %\def\aaa{}\def\bbb{}\def\ccc{}\def\ddd{}\def\eee{}\def\fff{}% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%%%%%%%%%% -% % % treatment of atom list % -% % %%%%%%%%%%%%%%%%%%%%%%%%%% -% \@forsemicol\member:=#2\do{% -% \expandafter\@m@mb@r\member;\relax% -% \expandafter\twoch@r\@membera{}% -% \ifcase\@tmpa% -% \or \xdef\ddd{\@memberb}% -% \or \xdef\ccc{\@memberb}% -% \or \xdef\bbb{\@memberb}% -% \or \xdef\fff{\@memberb}% -% \or \xdef\eee{\@memberb}% -% \fi}% -% \begin{picture}(800,880)(-\shiftii,-\shifti)% -% \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% -% \put(-\noshift,-\noshift){\circle{50}}% -% \typeout{command `fiveunitv' origin: % -% (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%%% -% % %% outer skeleton % -% % %%%%%%%%%%%%%%%%%%% -% % changed OMIT to a list 1993/11/21 by Shinsaku Fujita -% {\resetbdsw% -% \@tfor\memBer:=#4\do{% -% \if\memBer a\relax\gdef\@aaa{}\fi% -% \if\memBer b\relax\gdef\@bbb{}\fi% -% \if\memBer c\relax\gdef\@ccc{}\fi% -% \if\memBer d\relax\gdef\@ddd{}\fi% -% \if\memBer e\relax\gdef\@eee{}\fi% -% %\if\memBer f\relax\gdef\@fff{}\fi% -% }% -% \if\@aaa a\relax\skbondc\fi% bond between 1 and 2 -% \if\@bbb b\relax\skbondb\fi% bond between 2 and 3 -% \if\@ccc c\relax\skbondhoriz\fi% bond between 3 and 4 -% \if\@ddd d\relax\skbonde\fi% bond between 4 and 5 -% \if\@eee e\relax\skbondd\fi% bond between 5 and 6 -% %\if\@fff f\relax\skbondf\fi% bond between 6 and 1 -% }% -% % old -% %\ifx#4a\relax\else% -% % \skbondc%bond between 1 and 2 -% %\fi% -% %\ifx#4e\relax\else% -% % \skbondd%bond between 1 and 5 -% %\fi% -% %\ifx#4b\relax\else% -% % \skbondb%bond between 2 to 3 -% %\fi% -% %\ifx#4d\relax\else% -% % \skbonde%bond between 5 and 4 -% %\fi% -% %\ifx#4c\relax\else% -% % \skbondhoriz%bond between 4 and 3 -% %\fi% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%%%%%% -% % %% inner double bond % -% % %%%%%%%%%%%%%%%%%%%%%% -% \@tfor\member:=#1\do{% -% \if\member r% -% \else\if\member a\relax% -% \ifx#4a\relax\else% -% \bondc% -% \fi% -% \else\if\member b\relax% -% \ifx#4b\relax\else% -% \bondb% -% \fi% -% \else\if\member c\relax% -% \ifx#4c\relax\else% -% \bondhoriz% -% \fi% -% \else\if\member d\relax% -% \ifx#4d\relax\else% -% \bonde% -% \fi% -% \else\if\member e\relax% -% \ifx#4e\relax\else% -% \bondd% -% \fi% -% \else \expandafter\twoch@@r\member{}{}% %plus or minus charges -% \if\@@tmpa 1\relax% -% \putratom{-38}{68}{\@@tmpb}% % right type -% \else\if\@@tmpa 2\relax% -% \putratom{60}{120}{\@@tmpb}% % right type -% \else\if\@@tmpa 3\relax% -% \putratom{60}{233}{\@@tmpb}% % right type -% \else\if\@@tmpa 4\relax% -% \putratom{-60}{233}{\@@tmpb}% % right type -% \else\if\@@tmpa 5\relax% -% \putratom{-60}{120}{\@@tmpb}% % right type -% \fi\fi\fi\fi\fi% -% \fi\fi\fi\fi\fi\fi}% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%%%%%%% -% % % setting heteroatoms % -% % %%%%%%%%%%%%%%%%%%%%%%% -% \ifx\ddd\empty\else% -% \@cliptrue% -% \putratom{-31}{-10}{\ddd}% % right type at 1 -% \fi% -% \ifx\bbb\empty\else% -% \@bcliptrue% -% \putratom{135}{280}{\bbb}% % right type at 3 -% \fi% -% \ifx\fff\empty\else% -% \@fcliptrue% -% \putlatom{-135}{280}{\fff}% % left type at 4 -% \fi% -% \ifx\ccc\empty\else% -% \@ccliptrue% -% \putratom{135}{65}{\ccc}% % right type at 2 -% \fi% -% \ifx\eee\empty\else% -% \@ecliptrue% -% \putlatom{-135}{65}{\eee}% % left type at 5 -% \fi% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%%%%%%%% -% % % setting substituents % -% % %%%%%%%%%%%%%%%%%%%%%%%% -% \setsixringv{#3}{5}{1}{5}{-1}% % for 1 to 3 -% \setsixringv{#3}{10}{4}{7}{-1}% % for 4 to 5 -% \end{picture}\iniatom\iniflag}%end of \fiveunitv macro -% % \end{macrocode} -% % \end{macro} -% % \end{macro} -% \end{verbatim} -% -% \subsubsection{Inverse vertical type} -% -% The old function (v1.01) of |\fiveunitvi| as a fusing ring unit -% is succeeded by |\fivefusevi|. -% The command |\fiveunitvi| has been changed into a subsidiary -% command of |\fiveheterovi| (v2.00). -% -% The macro |\fiveunitvi| typesets a five-membered fragment that can be -% fused to another -% ring structure to produce a new ring system. The following -% numbering is adopted in this macro. -% -% \begin{verbatim} -% ************************************ -% * five-membered unit * -% * (vertical type, inverse type) * -% ************************************ -% -% 1 -% * -% 6 * * 2 -% | | -% |_____| -% 4 3 -% * -% (0,0) <===== the original point -% \end{verbatim} -% -% The macro |\fiveunitvi| has three arguments |ATOMLIST|, |SUBSLIST| -% and |OMIT| -% as well as an optional argument |BONDLIST|. -% -% \begin{verbatim} -% \fiveunitvi[BONDLIST]{ATOMLIST}{SUBSLIST}{OMIT} -% \end{verbatim} -% -% The |BONDLIST| argument contains one -% character selected from a to e, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of inner double bonds -% -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,1-double bond -% {n+} : plus at the n-nitrogen atom (n = 1 to 5) -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 5 atoms) -% -% for n = 1 to 5 -% -% n : Hetero atom, e.g. N, O, etc. at n-position -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 5 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |OMIT| represents one bond to be omitted. -% The omitted edge is regarded as a fused position. -% -% \begin{verbatim} -% OMIT: one bond omitted (a, b, c, d, e, or f) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \fiveunitvi{1==N}{1==H;2==F}{a} -% \end{verbatim} -% -% The definition of |\fiveunitvi| uses a picture environment and -% consists of the same unit processes as shown in |\sixheterov|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by using |\setsixringv| partially. -% \end{enumerate} -% -% \begin{macro}{\fiveunitvi} -% \begin{macro}{\@fiveunitvi} -% \begin{macrocode} -\def\fiveunitvi{\@ifnextchar[{\@fiveunitvi[@}{\@fiveunitvi[r]}} -\def\@fiveunitvi[#1]#2#3#4{\fiveheterovi[#1]{#2}{#3}[#4]} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% -% \begin{verbatim} -% (Old definition) -% % \begin{macro}{\fiveunitvi} -% % \begin{macro}{\@fiveunitvi} -% % \begin{macrocode} -% \def\fiveunitvi{\@ifnextchar[{\@fiveunitvi}{\@fiveunitvi[r]}} -% \def\@fiveunitvi[#1]#2#3#4{% -% \iniatom\iniflag%initialize -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%%%%%%%%%% -% % % treatment of atom list % -% % %%%%%%%%%%%%%%%%%%%%%%%%%% -% %\def\aaa{}\def\bbb{}\def\ccc{}\def\ddd{}\def\eee{}\def\fff{}% -% \@forsemicol\member:=#2\do{% -% \expandafter\@m@mb@r\member;\relax% -% \expandafter\twoch@r\@membera{}% -% \ifcase\@tmpa% -% \or \xdef\aaa{\@memberb}% -% \or \xdef\bbb{\@memberb}% -% \or \xdef\ccc{\@memberb}% -% \or \xdef\eee{\@memberb}% -% \or \xdef\fff{\@memberb}% -% \fi}% -% \begin{picture}(800,880)(-\shiftii,-\shifti)% -% \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% -% \put(-\noshift,-\noshift){\circle{50}}% -% \typeout{command `fiveunitvi' origin: % -% (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%% -% % % outer skeleton % -% % %%%%%%%%%%%%%%%%%% -% % changed OMIT to a list 1993/11/21 by Shinsaku Fujita -% {\resetbdsw% -% \@tfor\memBer:=#4\do{% -% \if\memBer a\relax\gdef\@aaa{}\fi% -% \if\memBer b\relax\gdef\@bbb{}\fi% -% \if\memBer c\relax\gdef\@ccc{}\fi% -% \if\memBer d\relax\gdef\@ddd{}\fi% -% \if\memBer e\relax\gdef\@eee{}\fi% -% %\if\memBer f\relax\gdef\@fff{}\fi% -% }% -% \if\@aaa a\relax\skbonda\fi% bond between 1 and 2 -% \if\@bbb b\relax\skbondb\fi% bond between 2 and 3 -% \if\@ccc c\relax\skbondhorizi\fi% bond between 3 and 4 -% \if\@ddd d\relax\skbonde\fi% bond between 4 and 5 -% \if\@eee e\relax\skbondf\fi% bond between 5 and 6 -% %\if\@fff f\relax\skbondf\fi% bond between 6 and 1 -% }% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%%%%% -% % % inner double bond % -% % %%%%%%%%%%%%%%%%%%%%% -% \@tfor\member:=#1\do{% -% \if\member r% -% \else\if\member a\relax% -% \ifx#4a\relax\else% -% \bonda% -% \fi% -% \else\if\member b\relax% -% \ifx#4b\relax\else% -% \bondb% -% \fi% -% \else\if\member c\relax% -% \ifx#4c\relax\else% -% \bondhorizi% -% \fi% -% \else\if\member d\relax% -% \ifx#4d\relax\else% -% \bonde% -% \fi% -% \else\if\member e\relax% -% \ifx#4e\relax\else% -% \bondf% -% \fi% -% \else \expandafter\twoch@@r\member{}{}% %plus or minus charges -% \if\@@tmpa 1\relax% -% \putratom{-38}{282}{\@@tmpb}% % right type -% \else\if\@@tmpa 2\relax% -% \putratom{60}{233}{\@@tmpb}% % right type -% \else\if\@@tmpa 3\relax% -% \putratom{60}{120}{\@@tmpb}% % right type -% \else\if\@@tmpa 4\relax% -% \putratom{-60}{120}{\@@tmpb}% % right type -% \else\if\@@tmpa 5\relax% -% \putratom{-60}{233}{\@@tmpb}% % right type -% \fi\fi\fi\fi\fi% -% \fi\fi\fi\fi\fi\fi}% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%%%%%%% -% % % setting heteroatoms % -% % %%%%%%%%%%%%%%%%%%%%%%% -% \ifx\aaa\empty\else% -% \@acliptrue% -% \putratom{-31}{356}{\aaa}% % right type at 1 -% \fi% -% \ifx\bbb\empty\else% -% \@bcliptrue% -% \putratom{135}{280}{\bbb}% % right type at 3 -% \fi% -% \ifx\fff\empty\else% -% \@fcliptrue% -% \putlatom{-135}{280}{\fff}% % left type at 4 -% \fi% -% \ifx\ccc\empty\else% -% \@ccliptrue% -% \putratom{135}{65}{\ccc}% % right type at 2 -% \fi% -% \ifx\eee\empty\else% -% \@ecliptrue% -% \putlatom{-135}{65}{\eee}% % left type at 5 -% \fi% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%%%%%%%% -% % % setting substituents % -% % %%%%%%%%%%%%%%%%%%%%%%%% -% \setsixringv{#3}{0}{0}{4}{0}% % for 1 to 3 -% \setsixringv{#3}{1}{4}{7}{0}% % for 4 to 5 -% \end{picture}\iniatom\iniflag}% %end of \fiveunitvi macro -% % \end{macrocode} -% % \end{macro} -% % \end{macro} -% \end{verbatim} -% -% \section{Four-membered heterocycles} -% \subsection{Horizontal bonds} -% -% \begin{macro}{\bondshoriz} -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%% -% % horizontal bond % -% %%%%%%%%%%%%%%%%%%% -% horizontal inner bond for four-membered rings -\def\bondshoriz{% - \begin{picture}(200,300)(0,0) - \ifx\fff\empty% - \ifx\bbb\empty% - \put(-138,270){\line(1,0){134}}%double bond 4-3 - \else% - \put(-138,270){\line(1,0){115}}%double bond 4-3 - \fi% - \else% - \ifx\bbb\empty% - \put(-120,270){\line(1,0){115}}%double bond 4-3 - \else% - \put(-120,270){\line(1,0){96}}%double bond 4-3 - \fi% - \fi\end{picture}}% -% horizontal inner bond for four-membered rings (inverse type) -\def\bondshorizi{% - \begin{picture}(200,300)(0,0) - \ifx\eee\empty% - \ifx\ccc\empty% - \put(-138,136){\line(1,0){134}}%double bond 4-3 - \else%% - \put(-138,136){\line(1,0){115}}%double bond 4-3 - \fi% - \else% - \ifx\ccc\empty% - \put(-120,136){\line(1,0){115}}%double bond 4-3 - \else% - \put(-120,136){\line(1,0){96}}%double bond 4-3 - \fi% - \fi\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\skbondshoriz} -% \begin{macrocode} -%horizontal bond for four-membered rings -\def\skbondshoriz{% - \begin{picture}(200,300)(0,0) - \ifx\fff\empty% - \ifx\bbb\empty% - \put(-171,303){\line(1,0){200}}%bond 4-3 - \else% - \put(-171,303){\line(1,0){158}}%bond 4-3 - \fi% - \else% - \ifx\bbb\empty% - \put(29,303){\line(-1,0){158}}%bond 4-3 - \else% - \put(-129,303){\line(1,0){116}}%bond 4-3 - \fi% - \fi\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\skbondshorizi} -% \begin{macrocode} -%horizontal bond for four-membered rings (inverse type) -\def\skbondshorizi{% - \begin{picture}(200,300)(0,0) - \ifx\eee\empty% - \ifx\ccc\empty% - \put(-171,103){\line(1,0){200}}%bond 4-3 - \else% - \put(-171,103){\line(1,0){158}}%bond 4-3 - \fi% - \else% - \ifx\ccc\empty% - \put(29,103){\line(-1,0){158}}%bond 4-3 - \else% - \put(-129,103){\line(1,0){116}}%bond 4-3 - \fi% - \fi\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\dotskbondshoriz} -% \begin{macrocode} -%horizontal bond for four-membered rings -\def\dotskbondshoriz{% - \begin{picture}(200,300)(0,0) - \ifx\fff\empty% - \ifx\bbb\empty% - \@ifundefined{dottedline}{% - \put(-171,303){\line(1,0){200}}%bond 4-3 - }{{\thicklines% - \dottedline{20}(-171,303)(29,303)}}% - \else% - \@ifundefined{dottedline}{% - \put(-171,303){\line(1,0){158}}%bond 4-3 - }{{\thicklines% - \dottedline{20}(-171,303)(-29,303)}}% - \fi% - \else% - \ifx\bbb\empty% - \@ifundefined{dottedline}{% - \put(29,303){\line(-1,0){158}}%bond 4-3 - }{{\thicklines% - \dottedline{20}(29,303)(-129,303)}}% - \else% - \@ifundefined{dottedline}{% - \put(-129,303){\line(1,0){116}}%bond 4-3 - }{{\thicklines% - \dottedline{20}(-129,303)(-13,303)}}% - \fi% - \fi\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\dotskbondshorizi} -% \begin{macrocode} -%horizontal bond for four-membered rings (inverse type) -\def\dotskbondshorizi{% - \begin{picture}(200,300)(0,0) - \ifx\eee\empty% - \ifx\ccc\empty% - \@ifundefined{dottedline}{% - \put(-171,103){\line(1,0){200}}%bond 4-3 - }{{\thicklines% - \dottedline{20}(-171,103)(29,103)}}% - \else% - \@ifundefined{dottedline}{% - \put(-171,103){\line(1,0){158}}%bond 4-3 - }{{\thicklines% - \dottedline{20}(-171,103)(-29,103)}}% - \fi% - \else% - \ifx\ccc\empty% - \@ifundefined{dottedline}{% - \put(29,103){\line(-1,0){158}}%bond 4-3 - }{{\thicklines% - \dottedline{20}(29,103)(-129,103)}}% - \else% - \@ifundefined{dottedline}{% - \put(-129,103){\line(1,0){116}}%bond 4-3 - }{{\thicklines% - \dottedline{20}(-129,103)(-13,103)}}% - \fi% - \fi\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \subsection{Drawing four-membered heterocycles} -% -% The macro |\fourhetero| typesets a four-membered ring. The following -% numbering is adopted in this macro. -% -% \begin{verbatim} -% ************************** -% * fourhetero derivatives * -% * (vertical type) * -% ************************** -% The following numbering is adopted in this macro. -% -% c -% 4 _____ 3 -% d | | b -% | | -% 1 ----- 2<===== the original point -% a -% \end{verbatim} -% -% The macro |\fourhetero| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \fourhetero(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `d' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to e, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `$n+$' ($n=1$ to $4$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of inner double bonds -% -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% e : 4,1-double bond -% -% {n+} : plus at the n-nitrogen atom (n = 1 to 4) -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 4 atoms) -% -% for n = 1 to 4 -% -% n : Hetero atom, e.g. N, O, etc. at n-position -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 4 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges may be regarded as both fused and non-fused -% positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a to d: see BONDLIST) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \fourhetero{1==N}{1==H;2==F} -% \fourhetero[c]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \fourhetero[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl} -% \end{verbatim} -% -% The definition of |\fourhetero| uses a picture environment and -% consists of the same unit processes as shown in |\sixheterov|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by using |\setsixringv| partially. -% \end{enumerate} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/5}{Add: spiro and fused rings} -% -% \begin{macro}{\fourhetero} -% \begin{macro}{\@four@hetero} -% \begin{macro}{\@four@@hetero} -% \begin{macro}{\@fourhetero} -% \begin{macrocode} -\def\fourhetero{\@ifnextchar({\@four@hetero(@}{\@four@hetero(@)}} -\def\@four@hetero(#1){\@ifnextchar[{\@four@@hetero(#1)[@}% -{\@four@@hetero(#1)[@]}} -\def\@four@@hetero(#1)[#2]#3#4{\@ifnextchar[% -{\@fourhetero(#1)[#2]{#3}{#4}[@}% -{\@fourhetero(#1)[#2]{#3}{#4}[@]}} -\def\@fourhetero(#1)[#2]#3#4[#5]{% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{e}{c}{b}{f}{@}{@}% -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % adustment of subs positions % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\@reset@ylsw% -\ylposition{#4}{5}{1}{4}{-1}% for 2 to 3 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{142}\def\@@yli{0}\fi -\else -\ylposition{#4}{4}{4}{6}{0}% for 1 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -\ylposition{#4}{2}{5}{7}{0}% for 4 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -% -%\begin{picture}(800,880)(-\shiftii,-\shifti)% -% \iforigpt\put(-\shiftii,-\shifti){\circle*{50}}% -% \put(-\noshift,-\noshift){\circle{50}}% -% \typeout{command `fourhetero' origin: % -% (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -% Correction of the zero point: S. Fujita 1993/11/19 -% x axis: 400 + 171 = 571 -% y axis: 240 - 103 = 137 -% -\begin{picture}(800,880)(-571,-137)% - \iforigpt\put(-571,-137){\circle*{50}}% - \put(-171,103){\circle{50}}% - \typeout{command `fourhetero' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -{\resetbdsw% -\@bond@@omit{#5}% -\put(0,0){\set@skel@longbond{#1}{a}{skbondshorizi}}% - % bond between 1 and 2 \@aaa -> \skbondshorizi etc -\put(-142,0){\set@skel@bond{#1}{b}{b}}% - % bond between 2 and 3 \@bbb -> \skbondb etc -\put(0,0){\set@skel@longbond{#1}{c}{skbondshoriz}}% - % bond between 3 and 4 \@ccc -> \skbondshoriz etc -\put(0,0){\set@skel@bond{#1}{d}{e}}% - % bond between 4 and 1 \@ddd -> \skbonde etc -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r% -\else\if\member a\relax \put(0,0){\bondshorizi}% -\else\if\member b\relax \put(-142,0){\bondb}% -\else\if\member c\relax \put(0,0){\bondshoriz}% -\else\if\member d\relax \put(0,0){\bonde}% -\else -% %%%%%%%%%%%%%%%%%%%%%%%%% -% % inner bond attachment % -% %%%%%%%%%%%%%%%%%%%%%%%%% - \expandafter\twoCH@@R\member//% - \set@fusionadd@fourv -\fi\fi\fi\fi\fi}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%% -% % setting heteroatoms % -% %%%%%%%%%%%%%%%%%%%%%%% -\put(-142,0){\set@hetatom@sixv{#3}{5}{1}{4}{-1}}% for 2 to 3 -\put(0,0){\set@hetatom@sixv{#3}{4}{4}{6}{0}}% for 1 -\put(0,0){\set@hetatom@sixv{#3}{2}{5}{7}{0}}% for 4 -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\put(-142,0){\setsixringv{#4}{5}{1}{4}{-1}}% for 2 to 3 -\put(0,0){\setsixringv{#4}{4}{4}{6}{0}}% for 1 -\put(0,0){\setsixringv{#4}{2}{5}{7}{0}}% for 4 -\end{picture}\iniatom\iniflag}% %end of \fourhetero macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The macro |\set@fusionadd@fourv| is an inner command contained -% in the definition of |\fourhetero| etc., where -% the macro is used for setting an additive -% or a fused ring at each bond (designated by |\@@tmpa|). The -% fused ring is typeset by the inner command |\set@fusion@fourv|. -% -% \begin{macro}{\set@fusionadd@fourv} -% \changes{v2.00}{1998/12/5}{New command: \cs{set@fusionadd@fourv}} -% \begin{macrocode} -\def\set@fusionadd@fourv{% - \if\@@tmpa 1\relax% - \putlatom{-200}{120}{\scriptsize \@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{60}{120}{\scriptsize \@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{60}{233}{\scriptsize \@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putlatom{-200}{233}{\scriptsize \@@tmpb}% % right type - \else -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% - \set@fusion@fourv - \fi\fi\fi\fi% -}% -% \end{macrocode} -% \end{macro} -% -% The inner command |\set@fusion@fourv| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@fourv} -% \changes{v2.00}{1998/12/5}{New command: \cs{set@fusion@fourv}} -% \begin{macrocode} -\def\set@fusion@fourv{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% -\if\@@tmpa d\relax% - \putlratom{-171}{303}{\@@tmpb}% % bond fused - \FuseWarning{0}{200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{d}% - \else\if\@@tmpa D\relax% - \putlratom{-171}{103}{\@@tmpb}% % bond fused - \FuseWarning{0}{-200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{D}% - \else\if\@@tmpa a\relax% - \putlratom{-173}{103}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{f}% - \else\if\@@tmpa A\relax% - \putlratom{27}{103}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa b\relax% - \putlratom{27}{103}{\@@tmpb}% % bond fused - \FuseWarning{0}{-200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{27}{303}{\@@tmpb}% % bond fused - \FuseWarning{0}{200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \else\if\@@tmpa c\relax% - \putlratom{27}{303}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}% - \else\if\@@tmpa C\relax% - \putlratom{-171}{303}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}% -\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@fourv -% \end{macrocode} -% \end{macro} -% -% \section{Three-membered heterocycles} -% \subsection{Vertical type} -% \subsubsection{Sloped bonds} -% -% \begin{macro}{\bondtria} -% \begin{macrocode} -% ********************** -% * bonds for triangle * -% ********************** -% fff 3--------2bbb -% ` / -% ddd `1/ <===== the original point -% bond between 1 and 2 - \def\bondtria{% - \ifx\ddd\empty% - \ifx\bbb\empty% - \put(-6,42){\line(3,5){72}}% %double bond 1-2 - \else% - \put(-6,42){\line(3,5){60}}% %double bond 1-2 - \fi% - \else% - \ifx\bbb\empty% - \put(6,62){\line(3,5){60}}% %double bond 1-2 - \else% - \put(10,32){\line(3,5){60}}% %double bond 1-2 - \fi% - \fi% -}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\bondtrib} -% \begin{macrocode} -% bond between 1 and 3 - \def\bondtrib{% - \ifx\ddd\empty% - \ifx\fff\empty% - \put(6,42){\line(-3,5){72}}% %double bond 1-3 - \else% - \put(6,42){\line(-3,5){60}}% %double bond 1-3 - \fi% - \else% - \ifx\fff\empty% - \put(-6,62){\line(-3,5){60}}% %double bond 1-2 - \else% - \put(6,42){\line(-3,5){60}}% %double bond 1-2 - \fi% - \fi% - }% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\skbondtria} -% \begin{macrocode} -%bond between 1 and 2 -\def\skbondtria{% - \begin{picture}(200,200)(0,0) - \ifx\ddd\empty% - \ifx\bbb\empty% - \put(0,0){\line(3,5){103}}% %bond 1-2 - \else% - \put(0,0){\line(3,5){80}}% %bond 1-2 - \fi% - \else% - \ifx\bbb\empty% - \put(103,171){\line(-3,-5){80}}% %bond 1-2 - \else% - \put(35,21){\line(3,5){60}}% %bond 1-2 - \fi% - \fi\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\skbondtrib} -% \begin{macrocode} -%bond between 1 and 3 -\def\skbondtrib{% - \begin{picture}(200,200)(0,0) - \ifx\ddd\empty% - \ifx\fff\empty% - \put(0,0){\line(-3,5){103}}% %bond 1-3 - \else% - \put(0,0){\line(-3,5){80}}% %bond 1-3 - \fi% - \else% -% \ifx\eee\empty%bug fix 1993/11/19 - \ifx\fff\empty% - \put(-103,171){\line(3,-5){80}}% %bond 1-3 - \else% - \put(-35,21){\line(-3,5){60}}% %bond 1-3 - \fi% - \fi\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\dotskbondtria} -% \begin{macrocode} -%bond between 1 and 2 -\def\dotskbondtria{% - \begin{picture}(200,200)(0,0) - \ifx\ddd\empty% - \ifx\bbb\empty% - \@ifundefined{dottedline}{% - \put(0,0){\line(3,5){103}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(0,0)(103,171)}}% - \else% - \@ifundefined{dottedline}{% - \put(0,0){\line(3,5){80}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(0,0)(80,133)}}% - \fi% - \else% - \ifx\bbb\empty% - \@ifundefined{dottedline}{% - \put(103,171){\line(-3,-5){80}}% %bond 1-2 - }{{\thicklines% -% \dottedline{20}(0,0)(23,38)}}% - \dottedline{20}(103,171)(23,38)}}% - \else% - \@ifundefined{dottedline}{% - \put(35,21){\line(3,5){60}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(35,21)(95,121)}}% - \fi% - \fi\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\dotskbondtrib} -% \begin{macrocode} -%bond between 1 and 3 -\def\dotskbondtrib{% - \begin{picture}(200,200)(0,0) - \ifx\ddd\empty% - \ifx\fff\empty% - \@ifundefined{dottedline}{% - \put(0,0){\line(-3,5){103}}% %bond 1-3 - }{{\thicklines% - \dottedline{20}(0,0)(-103,171)}}% - \else% - \@ifundefined{dottedline}{% - \put(0,0){\line(-3,5){80}}% %bond 1-3 - }{{\thicklines% - \dottedline{20}(0,0)(-80,133)}}% - \fi% - \else% - \ifx\fff\empty% - \@ifundefined{dottedline}{% - \put(-103,171){\line(3,-5){80}}% %bond 1-3 - }{{\thicklines% - \dottedline{20}(-103,171)(-23,38)}}% - \else% - \@ifundefined{dottedline}{% - \put(-35,21){\line(-3,5){60}}% %bond 1-3 - }{{\thicklines% - \dottedline{20}(-35,21)(-95,121)}}% - \fi% - \fi\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \subsubsection{Drawing three-membered heterocycles} -% -% The macro |\threehetero| typesets a three-membered ring. The following -% numbering is adopted in this macro. -% -% \begin{verbatim} -% **************************** -% * thereehetero derivatives * -% * (vertical type) * -% **************************** -% -% b -% 3--------2 -% c ` / a -% `1/ <===== the original point -% \end{verbatim} -% -% The macro |\threehetero| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \threehetero(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT] -% \threeheterov(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `c' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to c, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `$n+$' ($n=1$ to $3$) represents a plus charge on a hetero atom -% at the $n$-position. -% The option `$n+$' ($n=4$ to $6$) represents a plus charge outside the ring. -% The option `$0+$' typesets a plus charge at the center of the ring. -% -% \begin{verbatim} -% BONDLIST = -% -% none : saturated -% a : 1,2-double bond -% b : 2,3-double bond -% c : 3,1-double bond -% A : aromatic circle -% {n+} : plus at the n-hetero atom (n = 1 to 3) -% : n=4 -- outer plus at 1 position -% : n=5 -- outer plus at 2 position -% : n=6 -- outer plus at 3 position -% {0+} : plus at the center of a cyclopropane ring -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 3 atoms) -% -% for n = 1 to 3 -% -% n : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 3 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges may be regarded as both fused and non-fused -% positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a to c: see BONDLIST) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \threehetero{1==N}{1==Cl;2==F} -% \threehetero[c]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \threehetero{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl} -% \end{verbatim} -% -% The definition of |\threehetero| uses a picture environment and -% consists of the same unit processes as shown in |\sixheterov|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by using |\setsixringv| partially. -% \end{enumerate} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/5}{Add: spiro and fused rings} -% -% \begin{macro}{\threehetero} -% \begin{macro}{\@three@hetero} -% \begin{macro}{\@three@@hetero} -% \begin{macro}{\@threehetero} -% \begin{macrocode} -\def\threehetero{\@ifnextchar({\@three@hetero(@}{\@three@hetero(@)}} -\def\@three@hetero(#1){\@ifnextchar[{\@three@@hetero(#1)[@}% -{\@three@@hetero(#1)[@]}} -\def\@three@@hetero(#1)[#2]#3#4{\@ifnextchar[% -{\@threehetero(#1)[#2]{#3}{#4}[@}% -{\@threehetero(#1)[#2]{#3}{#4}[@]}} -\def\@threehetero(#1)[#2]#3#4[#5]{% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{d}{b}{f}{@}{@}{@}% -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % adustment of subs positions % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\@reset@ylsw% -\ylposition{#4}{3}{3}{5}{0}%subst 1 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{68}\def\@@yli{0}\fi -\else -\ylposition{#4}{0}{1}{3}{0}%subst 2 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{142}\def\@@yli{132}\fi -\else -\ylposition{#4}{3}{5}{7}{0}%subst 3 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{132}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -% -%\begin{picture}(800,880)(-\shiftii,-\shifti)% -% \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% -% \put(-\noshift,-\noshift){\circle{50}}% -% adjust x,y-coodinate by S. Fujita 1993/11/20 -\begin{picture}(800,580)(-468,-240)% - \iforigpt \put(-468,-240){\circle*{50}}% - \put(-68,0){\circle{50}}% - \typeout{command `threeheterov' origin: % - (68,0) ---> (468,240)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -{\resetbdsw% -\@bond@@omit{#5}% -\put(-68,0){\set@skel@longbond{#1}{a}{skbondtria}}% - % bond between 1 and 2 \@aaa -> \skbondtria etc -\put(0,-132){\set@skel@longbond{#1}{b}{skbondshoriz}}% - % bond between 2 and 3 \@bbb -> \skbondb etc -\put(-68,0){\set@skel@longbond{#1}{c}{skbondtrib}}% - % bond between 3 and 1 \@ccc -> \skbondtria etc -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r\relax% -\else\if\member a\relax\put(-68,0){\bondtria}% -\else\if\member b\relax\put(0,-126){\bondshoriz}% -\else\if\member c\relax\put(-68,0){\bondtrib}% -\else\if\member A\relax% aromatic circle - \put(-70,108){\circle{100}}% %circle -\else -% %%%%%%%%%%%%%%%%%%%%%%%%% -% % inner bond attachment % -% %%%%%%%%%%%%%%%%%%%%%%%%% - \expandafter\twoCH@@R\member//% - \set@fusionadd@threev -\fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\put(-68,0){\set@hetatom@sixv{#3}{3}{3}{5}{0}% -\if@clip\global\@cliptrue\fi -}%subst 1 -\put(-142,-132){\set@hetatom@sixv{#3}{0}{1}{3}{0}% -\if@bclip\global\@bcliptrue\fi -}%subst 2 -\put(0,-132){\set@hetatom@sixv{#3}{3}{5}{7}{0}% -\if@fclip\global\@fcliptrue\fi -}%subst 3 -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\put(-68,0){\setsixringv{#4}{3}{3}{5}{0}}%subst 1 -\put(-142,-132){\setsixringv{#4}{0}{1}{3}{0}}%subst 2 -\put(0,-132){\setsixringv{#4}{3}{5}{7}{0}}%subst 3 -\end{picture}% -\iniatom\iniflag}% %end of \threehetero macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\threeheterov} -% \begin{macrocode} -\let\threeheterov=\threehetero -% \end{macrocode} -% \end{macro} -% -% The macro |\set@fusionadd@threev| is an inner command contained -% in the definition of |\threehetero| etc., where -% the macro is used for setting an additive -% or a fused ring at each bond (designated by |\@@tmpa|). The -% fused ring is typeset by the inner command |\set@fusion@threev|. -% -% \begin{macro}{\set@fusionadd@threev} -% \changes{v2.00}{1998/12/5}{New command: \cs{set@fusionadd@threev}} -% \begin{macrocode} -\def\set@fusionadd@threev{% - \if\@@tmpa 0\relax% - \putratom{-94}{92}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 1\relax% - \putratom{-94}{60}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{-52}{120}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{-126}{126}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{-30}{-20}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{52}{110}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putratom{-250}{110}{\scriptsize\@@tmpb}% % right type - \else -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% - \set@fusion@threev - \fi\fi\fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% \end{macro} -% -% The inner command |\set@fusion@threev| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@threev} -% \changes{v2.00}{1998/12/5}{New command: \cs{set@fusion@threev}} -% \begin{macrocode} -\def\set@fusion@threev{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% -\if\@@tmpa b\relax% - \putlratom{29}{171}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{-171}{171}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \else\if\@@tmpa a\relax% - \putlratom{-68}{0}{\@@tmpb}% % bond fused - \FuseWarning{-103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{29}{171}{\@@tmpb}% % bond fused - \FuseWarning{103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa c\relax% - \putlratom{-171}{171}{\@@tmpb}% % bond fused - \FuseWarning{-103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}% - \else\if\@@tmpa C\relax% - \putlratom{-68}{0}{\@@tmpb}% % bond fused - \FuseWarning{103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}% -\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@threev -% \end{macrocode} -% \end{macro} -% -% \subsection{Inverse vertical type} -% \subsubsection{Sloped bonds} -% -% \changes{v1.02}{1998/10/20}{Newly added commands: -% \cs{Bondtria}} -% \begin{macro}{\Bondtria} -% \begin{macrocode} -% ********************** -% * bonds for triangle * -% ********************** -% -% aaa /1` <===== the original point -% / ` -% eee 3--------2ccc -% bond between 1 and 2 - \def\Bondtria{% - \ifx\aaa\empty% - \ifx\ccc\empty% - \put(-6,-42){\line(3,-5){72}}% %double bond 1-2 - \else% - \put(-6,-42){\line(3,-5){60}}% %double bond 1-2 - \fi% - \else% - \ifx\ccc\empty% - \put(6,-62){\line(3,-5){60}}% %double bond 1-2 - \else% - \put(10,-32){\line(3,-5){60}}% %double bond 1-2 - \fi% - \fi% -}% -% \end{macrocode} -% \end{macro} -% -% \changes{v1.02}{1998/10/20}{Newly added commands: \cs{Bondtrib}} -% \begin{macro}{\Bondtrib} -% \begin{macrocode} -% bond between 1 and 3 - \def\Bondtrib{% - \ifx\aaa\empty% - \ifx\eee\empty% - \put(6,-42){\line(-3,-5){72}}% %double bond 1-3 - \else% - \put(6,-42){\line(-3,-5){60}}% %double bond 1-3 - \fi% - \else% - \ifx\fff\empty% - \put(-6,-62){\line(-3,-5){60}}% %double bond 1-2 - \else% - \put(6,-42){\line(-3,-5){60}}% %double bond 1-2 - \fi% - \fi% - }% -% \end{macrocode} -% \end{macro} -% -% \changes{v1.02}{1998/10/20}{Newly added commands: -% \cs{skBondtria}} -% \begin{macro}{\skBondtria} -% \begin{macrocode} -%bond between 1 and 2 -\def\skBondtria{% -% \begin{picture}(200,200)(0,0) -% \begin{picture}(0,0)(0,0) - \ifx\aaa\empty% - \ifx\ccc\empty% - \put(0,0){\line(3,-5){103}}% %bond 1-2 - \else% - \put(0,0){\line(3,-5){80}}% %bond 1-2 - \fi% - \else% - \ifx\ccc\empty% - \put(103,-171){\line(-3,5){80}}% %bond 1-2 - \else% - \put(35,-21){\line(3,-5){60}}% %bond 1-2 - \fi% - \fi -%\end{picture} -}% -% \end{macrocode} -% \end{macro} -% -% \changes{v1.02}{1998/10/20}{Newly added commands: -% \cs{skBondtrib}} -% \begin{macro}{\skBondtrib} -% \begin{macrocode} -%bond between 1 and 3 -\def\skBondtrib{% -% \begin{picture}(0,0)(0,0) -% \begin{picture}(200,200)(0,0) - \ifx\aaa\empty% - \ifx\eee\empty% - \put(0,0){\line(-3,-5){103}}% %bond 1-3 - \else% - \put(0,0){\line(-3,-5){80}}% %bond 1-3 - \fi% - \else% - \ifx\eee\empty% - \put(-103,-171){\line(3,5){80}}% %bond 1-3 - \else% - \put(-35,-21){\line(-3,-5){60}}% %bond 1-3 - \fi% - \fi -%\end{picture} -}% -% \end{macrocode} -% \end{macro} -% -% \changes{v2.00}{1998/12/25}{Newly added commands: -% \cs{dotskBondtria}} -% \begin{macro}{\dotskBondtria} -% \begin{macrocode} -%bond between 1 and 2 -\def\dotskBondtria{% - \ifx\aaa\empty% - \ifx\ccc\empty% - \@ifundefined{dottedline}{% - \put(0,0){\line(3,-5){103}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(0,0)(103,-171)}}% - \else% - \@ifundefined{dottedline}{% - \put(0,0){\line(3,-5){80}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(0,0)(80,-133)}}% - \fi% - \else% - \ifx\ccc\empty% - \@ifundefined{dottedline}{% - \put(103,-171){\line(-3,5){80}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(103,-171)(23,-38)}}% - \else% - \@ifundefined{dottedline}{% - \put(35,-21){\line(3,-5){60}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(35,-21)(95,-121)}}% - \fi% - \fi -}% -% \end{macrocode} -% \end{macro} -% -% \changes{v2.00}{1998/12/25}{Newly added commands: -% \cs{dotskBondtrib}} -% \begin{macro}{\dotskBondtrib} -% \begin{macrocode} -%bond between 1 and 3 -\def\dotskBondtrib{% - \ifx\aaa\empty% - \ifx\eee\empty% - \@ifundefined{dottedline}{% - \put(0,0){\line(-3,-5){103}}% %bond 1-3 - }{{\thicklines% - \dottedline{20}(0,0)(-103,-171)}}% - \else% - \@ifundefined{dottedline}{% - \put(0,0){\line(-3,-5){80}}% %bond 1-3 - }{{\thicklines% - \dottedline{20}(0,0)(-80,-133)}}% - \fi% - \else% - \ifx\eee\empty% - \@ifundefined{dottedline}{% - \put(-103,-171){\line(3,5){80}}% %bond 1-3 - }{{\thicklines% - \dottedline{20}(-103,-171)(-23,-38)}}% - \else% - \@ifundefined{dottedline}{% - \put(-35,-21){\line(-3,-5){60}}% %bond 1-3 - }{{\thicklines% - \dottedline{20}(-35,-21)(-95,-121)}}% - \fi% - \fi -}% -% \end{macrocode} -% \end{macro} -% -% \subsubsection{Drawing three-membered heterocycles (inverse)} -% -% The macro |\threeheteroi| typesets a three-membered ring of -% inverse vertical type. The following numbering is adopted -% in this macro. -% \changes{v1.02}{1998/10/20}{Newly added commands: -% \cs{threeheteroi}} -% -% \begin{verbatim} -% **************************** -% * thereehetero derivatives * -% * (inverse vertical type) * -% **************************** -% -% /1` <===== the original point -% c / ` a -% 3--------2 -% b -% \end{verbatim} -% -% The macro |\threeheteroi| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \threeheteroi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT] -% \threeheterovi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `c' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to c, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `$n+$' ($n=1$ to $3$) represents a plus charge on a hetero atom -% at the $n$-position. -% The option `$n+$' ($n=4$ to $6$) represents a plus charge outside the ring. -% The option `$0+$' typesets a plus charge at the center of the ring. -% -% \begin{verbatim} -% BONDLIST = -% -% none : saturated -% a : 1,2-double bond -% b : 2,3-double bond -% c : 3,1-double bond -% A : aromatic circle -% {n+} : plus at the n-hetero atom (n = 1 to 3) -% : n=4 -- outer plus at 1 position -% : n=5 -- outer plus at 2 position -% : n=6 -- outer plus at 3 position -% {0+} : plus at the center of a cyclopropane ring -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 3 atoms) -% -% for n = 1 to 3 -% -% n : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 3 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges may be regarded as both fused and non-fused -% positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a to c: see BONDLIST) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \threeheteroi{1==N}{1==Cl;2==F} -% \threeheteroi[c]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \threeheteroi{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl} -% \end{verbatim} -% -% The definition of |\threehetero| uses a picture environment and -% consists of the same unit processes as shown in |\sixheterov|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by using |\setsixringv| partially. -% \end{enumerate} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/5}{Add: spiro and fused rings} -% -% \begin{macro}{\threeheteroi} -% \begin{macro}{\@three@heteroi} -% \begin{macro}{\@three@@heteroi} -% \begin{macro}{\@threeheteroi} -% \begin{macrocode} -\def\threeheteroi{\@ifnextchar({\@three@heteroi(@}{\@three@heteroi(@)}} -\def\@three@heteroi(#1){\@ifnextchar[{\@three@@heteroi(#1)[@}% -{\@three@@heteroi(#1)[@]}} -\def\@three@@heteroi(#1)[#2]#3#4{\@ifnextchar[% -{\@threeheteroi(#1)[#2]{#3}{#4}[@}% -{\@threeheteroi(#1)[#2]{#3}{#4}[@]}} -\def\@threeheteroi(#1)[#2]#3#4[#5]{% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{a}{c}{e}{@}{@}{@}% -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % adustment of subs positions % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\@reset@ylsw% -\ylposition{#4}{0}{0}{2}{0}%subst 1 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{68}\def\@@yli{406}\fi -\else -\ylposition{#4}{1}{2}{4}{0}%subst 2 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{142}\def\@@yli{275}\fi -\else -\ylposition{#4}{2}{4}{6}{0}%subst 3 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{275}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(800,580)(-468,-340)% - \iforigpt \put(-468,-340){\circle*{50}}% - \put(-68,0){\circle{50}}% - \typeout{command `threeheteroi' origin: % - (0,0) ---> (-468,-340)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -{\resetbdsw% -\@bond@@omit{#5}% -\put(-68,0){\set@skel@longbond{#1}{a}{skBondtria}}% - % bond between 1 and 2 \@aaa -> \skBondtria etc -\put(0,-275){\set@skel@longbond{#1}{b}{skbondshorizi}}% - % bond between 2 and 3 \@bbb -> \skbondb etc -\put(-68,0){\set@skel@longbond{#1}{c}{skBondtrib}}% - % bond between 3 and 1 \@ccc -> \skBondtrib etc -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r\relax% -\else\if\member a\relax\put(-68,0){\Bondtria}% -\else\if\member b\relax\put(0,-274){\bondshorizi}% -\else\if\member c\relax\put(-68,0){\Bondtrib}% -\else\if\member A\relax% aromatic circle - \put(-70,-108){\circle{100}}% %circle -\else -% %%%%%%%%%%%%%%%%%%%%%%%%% -% % inner bond attachment % -% %%%%%%%%%%%%%%%%%%%%%%%%% - \expandafter\twoCH@@R\member//% - \set@fusionadd@threevi -\fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\put(-68,-406){\set@hetatom@sixv{#3}{0}{0}{2}{0}% -\if@aclip\global\@acliptrue\fi -}%subst 1 -\put(0,-275){\set@hetatom@sixv{#3}{2}{4}{6}{0}% -\if@eclip\global\@ecliptrue\fi -}%subst 3 -\put(-142,-275){\set@hetatom@sixv{#3}{1}{2}{4}{0}% -\if@cclip\global\@ccliptrue\fi -}%subst 2 -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\put(-68,-406){\setsixringv{#4}{0}{0}{2}{0}}%subst 1 -\put(0,-275){\setsixringv{#4}{2}{4}{6}{0}}%subst 3 -\put(-142,-275){\setsixringv{#4}{1}{2}{4}{0}}%subst 2 -\end{picture}% -\iniatom\iniflag}% %end of \threeheteroi macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\threeheterovi} -% \begin{macrocode} -\let\threeheterovi=\threeheteroi -% \end{macrocode} -% \end{macro} -% -% The macro |\set@fusionadd@threevi| is an inner command contained -% in the definition of |\threeheteroi| etc., where -% the macro is used for setting an additive -% or a fused ring at each bond (designated by |\@@tmpa|). The -% fused ring is typeset by the inner command |\set@fusion@threevi|. -% -% \begin{macro}{\set@fusionadd@threevi} -% \changes{v2.00}{1998/12/5}{New command: \cs{set@fusionadd@threevi}} -% \begin{macrocode} -\def\set@fusionadd@threevi{% - \if\@@tmpa 0\relax% - \putratom{-94}{-120}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 1\relax% - \putratom{-94}{-80}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{-52}{-150}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{-126}{-150}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{-30}{0}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{32}{-130}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putratom{-230}{-130}{\scriptsize\@@tmpb}% % right type - \else -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% - \set@fusion@threevi - \fi\fi\fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% \end{macro} -% -% The inner command |\set@fusion@threevi| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@threevi} -% \changes{v2.00}{1998/12/5}{New command: \cs{set@fusion@threevi}} -% \begin{macrocode} -\def\set@fusion@threevi{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% -\if\@@tmpa b\relax% - \putlratom{29}{-171}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{-171}{-171}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \else\if\@@tmpa a\relax% - \putlratom{-68}{0}{\@@tmpb}% % bond fused - \FuseWarning{-103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{29}{-171}{\@@tmpb}% % bond fused - \FuseWarning{103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa c\relax% - \putlratom{-171}{-171}{\@@tmpb}% % bond fused - \FuseWarning{103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}% - \else\if\@@tmpa C\relax% - \putlratom{-68}{0}{\@@tmpb}% % bond fused - \FuseWarning{-103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}% -\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@threevi -% -% \end{macrocode} -% \end{macro} -% -% \Finale -% -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/hetarom.ins b/Master/texmf-dist/source/latex/xymtex/hetarom.ins deleted file mode 100644 index 75c408ae768..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/hetarom.ins +++ /dev/null @@ -1,51 +0,0 @@ -\def\batchfile{hetarom.ins} -\input docstrip.tex -\preamble - -This is a generated file. - -Copyright 1996, 1998, 2000 by Shinsaku Fujita - -This file is part of the XyMTeX system. -======================================= - -Version 1.01 Released on August 16, 1996 -Version 1.02 Released on October 31, 1998 (private version) -Version 2.00 Released on December 25, 1998 -Version 2.00a Released on November 11, 2000 - -Copyright (C) 1996,1998,2000 by Shinsaku Fujita, all rights reserved. -This style file is created for drawing chemical structural formulas -This style file is to be contained in the ``xymtex'' directory which -is an input directory for TeX. - -Copying of this file is authorized only if either - - (1) you make absolutely no changes to your copy, including name and - directory name - (2) if you do make changes, - (a) you name it something other than the names included in the - ``xymtex'' directory and - (b) you acknowledge the original name. - This restriction ensures that all standard styles are identical. - -======================================= - -This file contains several codes modified from latex.tex (LaTeX2.09) -and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -Copyright 1994 the LaTeX3 project and the individual authors (For further -copyright information see the file legal.txt of the LaTeX2e standard -distribution, and any other copyright indicated in this file.) - -\endpreamble - -\keepsilent - -\generateFile{hetarom.drv}{t}{% - \from{hetarom.dtx}{driver}} - -\generateFile{hetarom.sty}{t}{% - \from{hetarom.dtx}{hetarom}} - -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/hetaromh.drv b/Master/texmf-dist/source/latex/xymtex/hetaromh.drv deleted file mode 100644 index fa9b0ae95db..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/hetaromh.drv +++ /dev/null @@ -1,83 +0,0 @@ -%% -%% This is file `hetaromh.drv', -%% generated with the docstrip utility. -%% -%% The original source files were: -%% -%% hetaromh.dtx (with options: `driver') -%% -%% This is a generated file. -%% -%% Copyright 1996,1998,2000 by Shinsaku Fujita -%% -%% This file is part of the XyMTeX system. -%% ======================================= -%% -%% Version 1.01 Released on August 16, 1996 -%% Version 1.02 Released on October 31, 1996 (private version) -%% Version 2.00 Released on December 25, 1998 -%% Version 2.00a Released on November 11, 2000 -%% -%% Copyright (C) 1996, 1998, 2000 by Shinsaku Fujita, all rights reserved. -%% This style file is created for drawing chemical structural formulas -%% This style file is to be contained in the ``xymtex'' directory which -%% is an input directory for TeX. -%% -%% Copying of this file is authorized only if either -%% -%% (1) you make absolutely no changes to your copy, including name and -%% directory name -%% (2) if you do make changes, -%% (a) you name it something other than the names included in the -%% ``xymtex'' directory and -%% (b) you acknowledge the original name. -%% This restriction ensures that all standard styles are identical. -%% -%% ======================================= -%% -%% This file contains several codes modified from latex.tex (LaTeX2.09) -%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -%% Copyright 1994 the LaTeX3 project and the individual authors (For further -%% copyright information see the file legal.txt of the LaTeX2e standard -%% distribution, and any other copyright indicated in this file.) -%% -%% File: hetaromh.dtx -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -\NeedsTeXFormat{pLaTeX2e} -\ProvidesFile{hetaromh.dtx}[1998/12/25 v2.00 XyMTeX{} package file] -\documentclass{ltxdoc} -\GetFileInfo{hetaromh.dtx} -\def\UPSILON{\char'7} -\def\XyM{X\kern-.30em\smash{% -\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}} -\def\XyMTeX{\XyM\kern-.1em\TeX} -\title{Heterocycles of horizontal type by {\sffamily hetaromh.sty} -(\fileversion) of \XyMTeX{}} -\author{Shinsaku Fujita \\ -Department of Chemistry and Materials Technology, \\ -Kyoto Institute of Technology, \\ -Matsugasaki, Sakyoku, Kyoto, 606-8585 Japan -} -\date{\filedate} -\begin{document} - \maketitle - \DocInput{hetaromh.dtx} -\end{document} -\endinput -%% -%% End of file `hetaromh.drv'. diff --git a/Master/texmf-dist/source/latex/xymtex/hetaromh.dtx b/Master/texmf-dist/source/latex/xymtex/hetaromh.dtx deleted file mode 100644 index c90896bf019..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/hetaromh.dtx +++ /dev/null @@ -1,6700 +0,0 @@ -% \iffalse meta-comment -%% File: hetaromh.dtx -% -% Copyright 1993,1996,1998,2000 by Shinsaku Fujita -% -% This file is part of XyMTeX system. -% ------------------------------------- -% -% This file is a successor to: -% -% hetaromh.sty -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -%\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 1.00} -%\typeout{ -- Released December 1, 1993 by Shinsaku Fujita} -% Copyright (C) 1993 by Shinsaku Fujita, all rights reserved. -% -% This file is a part of the macro package ``XyMTeX'' which has been -% designed for typesetting chemical structural formulas. -% -% This file is to be contained in the ``xymtex'' directory which is -% an input directory for TeX. It is a LaTeX optional style file and -% should be used only within LaTeX, because several macros of the file -% are based on LaTeX commands. -% -% For the review of XyMTeX, see -% (1) Shinsaku Fujita, ``Typesetting structural formulas with the text -% formatter TeX/LaTeX'', Computers and Chemistry, in press. -% The following book deals with an application of TeX/LaTeX to -% preparation of manuscripts of chemical fields: -% (2) Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' -% Tokyo Kagaku Dozin, Tokyo (1993) [in Japanese]. -% -% Copying of this file is authorized only if either -% (1) you make absolutely no changes to your copy, including name and -% directory name; or -% (2) if you do make changes, -% (a) you name it something other than the names included in the -% ``xymtex'' directory and -% (b) you are requested to leave this notice intact. -% This restriction ensures that all standard styles are identical. -% -% Please report any bugs, comments, suggestions, etc. to: -% Shinsaku Fujita, -% Ashigara Research Laboratories, Fuji Photo Film Co., Ltd., -% Minami-Ashigara, Kanagawa-ken, 250-01, Japan. -% -% New address: -% Shinsaku Fujita, -% Department of Chemistry and Materials Technology, -% Kyoto Institute of Technology, \\ -% Matsugasaki, Sakyoku, Kyoto, 606 Japan -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{hetaromh} -% \def\versi@ndate{December 01, 1993} -% \def\versi@nno{ver1.00} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{hetaromh} -% \def\versi@ndate{August 16, 1996} -% \def\versi@nno{ver1.01} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{hetaromh} -% \def\versi@ndate{October 31, 1998} -% \def\versi@nno{ver1.02} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{hetaromh} -% \def\versi@ndate{December 25, 1998} -% \def\versi@nno{ver2.00} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% -% \fi -% -% \CheckSum{5947} -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -% -% \setcounter{StandardModuleDepth}{1} -% -% \StopEventually{} -% \MakeShortVerb{\|} -% -% \iffalse -% \changes{v1.01}{1996/06/26}{first edition for LaTeX2e} -% \changes{v1.02}{1998/10/31}{revised edition for LaTeX2e} -% \changes{v2.00}{1998/12/25}{enhanced edition for LaTeX2e} -% \changes{v2.00a}{2000/11/11}{bug fix} -% \fi -% -% \iffalse -%<*driver> -\NeedsTeXFormat{pLaTeX2e} -% \fi -\ProvidesFile{hetaromh.dtx}[1998/12/25 v2.00 XyMTeX{} package file] -% \iffalse -\documentclass{ltxdoc} -\GetFileInfo{hetaromh.dtx} -% -% %%XyMTeX Logo: Definition 2%%% -\def\UPSILON{\char'7} -\def\XyM{X\kern-.30em\smash{% -\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}} -\def\XyMTeX{\XyM\kern-.1em\TeX} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\title{Heterocycles of horizontal type by {\sffamily hetaromh.sty} -(\fileversion) of \XyMTeX{}} -\author{Shinsaku Fujita \\ -Department of Chemistry and Materials Technology, \\ -Kyoto Institute of Technology, \\ -Matsugasaki, Sakyoku, Kyoto, 606-8585 Japan -% % (old address) -% % Ashigara Research Laboratories, -% % Fuji Photo Film Co., Ltd., \\ -% % Minami-Ashigara, Kanagawa, 250-01 Japan -} -\date{\filedate} -% -\begin{document} - \maketitle - \DocInput{hetaromh.dtx} -\end{document} -% -% \fi -% -% \section{Introduction}\label{hetaromh:intro} -% -% \subsection{Options for {\sffamily docstrip}} -% -% \DeleteShortVerb{\|} -% \begin{center} -% \begin{tabular}{|l|l|} -% \hline -% \emph{option} & \emph{function}\\ \hline -% hetaromh & hetaromh.sty \\ -% driver & driver for this dtx file \\ -% \hline -% \end{tabular} -% \end{center} -% \MakeShortVerb{\|} -% -% \subsection{Version Information} -% -% \begin{macrocode} -%<*hetaromh> -\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00} -\typeout{ -- Released December 25, 1998 by Shinsaku Fujita} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\def\j@urnalname{hetaromh} -\def\versi@ndate{November 11, 2000} -\def\versi@nno{ver2.00a} -\def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>% -\space[\copyrighth@lder]} -% \end{macrocode} -% -% \section{List of commands for hetaromh.sty} -% -% \begin{verbatim} -% -% ********************************** -% * hetaromh.sty: list of commands * -% ********************************** -% -% -% -% \hbonda -% \hbondf -% \hbondb -% \hbondc -% \hbondd -% \hbonde -% \hbondvert -% \hbondverti -% -% \hskbonda -% \hskbondf -% \hskbondc -% \hskbondd -% \hskbondb -% \hskbonde -% \hskbondvert -% \hskbondverti -% -% \dothskbonda -% \dothskbondf -% \dothskbondc -% \dothskbondd -% \dothskbondb -% \dothskbonde -% \dothskbondvert -% \dothskbondverti -% \end{verbatim} -% -% \begin{verbatim} -% -% -% -% Basic Macros -% -% \sixheteroh \@sixheteroh -% \sixheterohi \@sixheterohi -% -% Application Macros -% -% \pyridineh \@pyridineh -% \pyridinehi \@pyridinehi -% \pyrazineh \@pyrazineh -% \pyrimidineh \@pyrimidineh -% \pyrimidinehi \@pyrimidinehi -% \pyridazineh \@pyridazineh -% \pyridazinehi \@pyridazinehi -% \triazineh \@triazineh -% \triazinehi \@triazinehi -% \end{verbatim} -% -% \begin{verbatim} -% -% -% -% Basic Macros -% -% \fiveheteroh \@fiveheteroh -% \fiveheterohi \@fiveheterohi -% -% Application Macros -% -% \pyrroleh \@pyrroleh -% \pyrazoleh \@pyrazoleh -% \imidazoleh \@imidazoleh -% \isoxazoleh \@isoxazoleh -% \oxazoleh \@oxazoleh -% -% \furanh \@furanh -% \thiopheneh \@thiopheneh -% -% \pyrrolehi \@pyrrolehi -% \pyrazolehi \@pyrazolehi -% \imidazolehi \@imidazolehi -% \isoxazolehi \@isoxazolehi -% \oxazolehi \@oxazolehi -% -% \furanhi \@furanhi -% \thiophenehi \@thiophenehi -% -% \end{verbatim} -% -% \begin{verbatim} -% -% -% -% Basic Macros -% -% \decaheteroh \@decaheteroh -% \decaheterohi \@decaheterohi -% -% Application Macros -% -% \quinolineh \@quinolineh -% \quinolinehi \@quinolinehi -% \isoquinolineh \@isoquinolineh -% \isoquinolinehi \@isoquinolinehi -% \quinoxalineh \@quinoxalineh -% \quinazolineh \@quinazolineh -% \quinazolinehi \@quinazolinehi -% \cinnolineh \@cinnolineh -% \cinnolinehi \@cinnolinehi -% \pteridineh \@pteridineh -% \pteridinehi \@pteridinehi -% \end{verbatim} -% -% \begin{verbatim} -% -% -% -% Basic Macros -% -% \nonaheteroh \@nonaheteroh -% \nonaheterohi \@nonaheterohi -% -% Application Macros -% -% \purineh \@purineh -% \purinehi \@purinehi -% \indoleh \@indoleh -% \indolehi \@indolehi -% \indolizineh \@indolizineh -% \indolizinehi \@indolizinehi -% \isoindoleh \@isoindoleh -% \isoindolehi \@isoindolehi -% \benzofuraneh \@benzofuraneh -% \benzofuranehi \@benzofuranehi -% \isobenzofuraneh \@isobenzofuraneh -% \isobenzofuranehi \@isobenzofuranehi -% \benzoxazoleh \@benzoxazoleh -% \benzoxazolehi \@benzoxazolehi -% \end{verbatim} -% -% \begin{verbatim} -% -% -% -% \sixunith \@sixunith -% \fiveunith \@fiveunith -% \fiveunithi \@fiveunithi -% \end{verbatim} -% -% \begin{verbatim} -% -% -% -% \threeheteroh \@threeheteroh -% \threeheterohi \@threeheterohi -% \end{verbatim} -% -% \section{Input of basic macros} -% -% To assure the compatibility to \LaTeX{}2.09 (the native mode), -% the commands added by \LaTeXe{} have not been used in the resulting sty -% files ({\sf hetaromh.sty} for the present case). Hence, the combination -% of |\input| and |\@ifundefined| is used to crossload sty -% files ({\sf chemstr.sty} for the present case) in place of the -% |\RequirePackage| command of \LaTeXe{}. -% -% \begin{macrocode} -% ************************* -% * input of basic macros * -% ************************* -\@ifundefined{setsixringv}{\input chemstr.sty\relax}{}% -\@ifundefined{test@vertix@decavi}{\input hetarom.sty\relax}{}% -\unitlength=0.1pt% -% \end{macrocode} -% -% \section{Various switches} -% -% These control sequences have been commented out, since they are -% defined elsewhere. -% -% \begin{macrocode} -% % **************************** -% % * various flags (switches) * -% % **************************** -% \newif\if@gclip \@gclipfalse% -% \newif\if@hclip \@hclipfalse% -% \newif\if@iclip \@iclipfalse% -% \newif\if@jclip \@jclipfalse% -% \def\iniflag{% -% \@aclipfalse \@bclipfalse\@cclipfalse\@clipfalse\@eclipfalse% -% \@fclipfalse\@gclipfalse\@hclipfalse\@iclipfalse\@jclipfalse% -% \@clipfusefalse}% -% \def\iniatom{% -% \def\aaa{}\def\bbb{}\def\ccc{}\def\ddd{}\def\eee{}\def\fff{}% -% \def\ggg{}\def\hhh{}\def\iii{}\def\jjj{}% -% \def\@aaa{}\def\@bbb{}\def\@ccc{}\def\@ddd{}\def\@eee{}\def\@fff{}% -% }% -% \def\resetbdsw{\gdef\@aaa{a}\gdef\@bbb{b}\gdef\@ccc{c}% -% \gdef\@ddd{d}\gdef\@eee{e}\gdef\@fff{f}}% -% -\iniatom% -% \end{macrocode} -% -% \section{Macros for setting bonds} -% \subsection{Inner double bonds} -% -% The macros |\sixheteroh| and |\fiveheteroh| use internal macros for setting -% inner double bonds in accordance with the presence or the absence of -% hetero atoms. During the processes of such setting, -% the inner macros |\hbonda| to |\hbondf| are used to set a bond -% on each edge of a six- or five-membered ring; and -% the inner macros |\hbondvert| and |\hbondverti| draw vertical bonds -% of a five-membered ring. -% -% Note that -% comments (conerning locant numbers) on the end of each row have -% lost the exact meaning, -% since such a command moiety is used in many macros after copying. -% -% \begin{verbatim} -% ****************************** -% * setting inner double bonds * -% ****************************** -% -% b -% (bbb) 2 3 (ccc) -% a ----- c -% * * -% the original point ===> 1 * (aaa) * 4 (ddd) -% (0,0) * * c -% f ----- -% (fff) 6 5 (eee) -% e -% \end{verbatim} -% -% \begin{macro}{\hbonda} -% The macro |\hbonda| refers to the control sequences representing -% atoms on both of the terminal vertices (|\aaa| and |\bbb|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -% bond between 1 and 2 -\def\hbonda{% - \ifx\aaa\empty% - \ifx\bbb\empty% - \put(42,6){\line(3,5){78}}% %double bond 1-2 - \else% - \put(42,6){\line(3,5){62}}% %double bond 1-2 - \fi% - \else% - \ifx\bbb\empty% - \put(57,36){\line(3,5){62}}% %double bond 1-2 - \else% - \put(57,36){\line(3,5){62}}% %double bond 1-2 - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\hbondf} -% The macro |\hbondf| refers to the control sequences representing -% atoms on both of the terminal vertices (|\aaa| and |\fff|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -% bond between 1 and 6 -\def\hbondf{% - \ifx\aaa\empty% - \ifx\fff\empty% - \put(42,-6){\line(3,-5){78}}% %double bond 1-6 - \else% - \put(42,-6){\line(3,-5){62}}% %double bond 1-6 - \fi% - \else% - \ifx\fff\empty% - \put(57,-36){\line(3,-5){62}}% %double bond 1-6 - \else% - \put(57,-36){\line(3,-5){62}}% %double bond 1-6 - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\hbondb} -% The macro |\hbondf| refers to the control sequences representing -% atoms on both of the terminal vertices (|\bbb| and |\ccc|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -% bond between 3 and 2 - \def\hbondb{% - \ifx\bbb\empty% - \ifx\ccc\empty% - \put(129,138){\line(1,0){148}}% %double bond 2-3 - \else% - \put(129,138){\line(1,0){134}}% %double bond 3-2 - \fi% - \else% - \ifx\ccc\empty% - \put(143,138){\line(1,0){134}}% %double bond 3-2 - \else% - \put(143,138){\line(1,0){110}}% %double bond 3-2 - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\hbondc} -% The macro |\hbondc| refers to the control sequences representing -% atoms on both of the terminal vertices (|\ddd| and |\ccc|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -% bond between 4 and 3 - \def\hbondc{% - \ifx\ddd\empty% - \ifx\ccc\empty% - \put(364,6){\line(-3,5){78}}% %double bond 4-3 - \else% - \put(364,6){\line(-3,5){62}}% %double bond 4-3 - \fi% - \else% - \ifx\ccc\empty% - \put(349,36){\line(-3,5){62}}% %double bond 4-3 - \else% - \put(349,36){\line(-3,5){62}}% %double bond 4-3 - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\hbondd} -% The macro |\hbondf| refers to the control sequences representing -% atoms on both of the terminal vertices (|\ddd| and |\eee|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -% bond between 4 and 5 - \def\hbondd{% - \ifx\ddd\empty% - \ifx\eee\empty% - \put(364,-6){\line(-3,-5){78}}% %double bond 4-5 - \else% - \put(364,-6){\line(-3,-5){62}}% %double bond 4-5 - \fi% - \else% - \ifx\eee\empty% - \put(349,-36){\line(-3,-5){62}}% %double bond 4-5 - \else% - \put(349,-36){\line(-3,-5){62}}% %double bond 4-5 - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\hbonde} -% The macro |\hbonde| refers to the control sequences representing -% atoms on both of the terminal vertices (|\fff| and |\eee|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -% bond between 5 and 6 -\def\hbonde{% - \ifx\fff\empty% - \ifx\eee\empty% - \put(129,-138){\line(1,0){148}}% %double bond 6-5 - \else% - \put(129,-138){\line(1,0){134}}% %double bond 5-6 - \fi% - \else% - \ifx\eee\empty% - \put(143,-138){\line(1,0){134}}% %double bond 5-6 - \else% - \put(143,-138){\line(1,0){110}}% %double bond 5-6 - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\hbondvert} -% The macro |\hbondvert| refers to the control sequences representing -% atoms on both of the terminal vertices (|\fff| and |\bbb|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -% vertical inner bond for five-membered rings -\def\hbondvert{% - \ifx\fff\empty% - \ifx\bbb\empty% - \put(136,-138){\line(0,1){277}}% %double bond 4-3 - \else% - \put(136,-138){\line(0,1){258}}% %double bond 4-3 - \fi% - \else% - \ifx\bbb\empty% - \put(136,-120){\line(0,1){258}}% %double bond 4-3 - \else - \put(136,-120){\line(0,1){239}}% %double bond 4-3 - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\hbondverti} -% The macro |\hbondverti| refers to the control sequences representing -% atoms on both of the terminal vertices (|\ccc| and |\eee|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -% horizontal inner bond for five-membered rings (inverse type) -\def\hbondverti{% - \ifx\eee\empty% - \ifx\ccc\empty% - \put(270,-138){\line(0,0){277}}% %double bond 4-3 - \else% - \put(270,-138){\line(0,1){258}}% %double bond 4-3 - \fi% - \else% - \ifx\ccc\empty% - \put(270,-120){\line(0,1){258}}% %double bond 4-3 - \else% - \put(270,-120){\line(0,1){239}}% %double bond 4-3 - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \subsection{Skeletal bonds} -% -% The macros |\sixheteroh| and |\fiveheteroh| use inner macros for setting -% skeletal bonds in accordance with the presence or the absence of -% hetero atoms. During the processes of such setting, -% the inner macros |\skbonda| to |\skbondf| are used to set a bond -% on each edge of a six- or five-membered ring; and -% the inner macros |\hskibondverti| to |\hskibondverti| draw vertical bonds -% of a five-membered ring. -% -% \begin{verbatim} -% ******************************************** -% * setting skeletal bonds (horizontal type) * -% ******************************************** -% The following numbering is adopted in this macro. -% -% b -% (bbb) 2 3 (ccc) -% a ----- c -% * * -% the original point ===> 1 * (aaa) * 4 (ddd) -% (0,0) * * d -% f ----- -% (fff) 6 5 (eee) -% e -% \end{verbatim} -% -% \begin{macro}{\hskbonda} -% The macro |\hskbonda| refers to the control sequences representing -% atoms on both of the terminal vertices (|\aaa| and |\bbb|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%bond between 1 and 2 -\def\hskbonda{% - \ifx\aaa\empty% - \ifx\bbb\empty% - \put(0,0){\line(3,5){103}}% %bond 1-2 - \else% - \put(0,0){\line(3,5){79}}% %bond 1-2 - \fi% - \else% - \ifx\bbb\empty% - \put(24,40){\line(3,5){79}}% %bond 1-2 - \else% - \put(24,40){\line(3,5){62}}% %bond 1-2 - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\hskbondf} -% The macro |\hskbondf| refers to the control sequences representing -% atoms on both of the terminal vertices (|\aaa| and |\fff|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%bond between 1 and 6 -\def\hskbondf{% - \ifx\aaa\empty% - \ifx\fff\empty - \put(0,0){\line(3,-5){103}}% %bond 1-6 - \else% - \put(0,0){\line(3,-5){79}}% %bond 1-6 - \fi% - \else% - \ifx\fff\empty% - \put(24,-40){\line(3,-5){79}}% %bond 1-6 - \else% - \put(24,-40){\line(3,-5){62}}% %bond 1-6 - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\hskbondc} -% The macro |\hskbondc| refers to the control sequences representing -% atoms on both of the terminal vertices (|\ddd| and |\ccc|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%bond between 4 and 3 -\def\hskbondc{% - \ifx\ddd\empty% - \ifx\ccc\empty% - \put(406,0){\line(-3,5){103}}% %bond 4-3 - \else% - \put(406,0){\line(-3,5){79}}% %bond 4-3 - \fi% - \else% - \ifx\ccc\empty% - \put(382,40){\line(-3,5){79}}% %bond 4-3 - \else% - \put(382,40){\line(-3,5){62}}% %bond 4-3 - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\hskbondd} -% The macro |\hskbondd| refers to the control sequences representing -% atoms on both of the terminal vertices (|\ddd| and |\eee|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%bond between 4 and 5 -\def\hskbondd{% - \ifx\ddd\empty% - \ifx\eee\empty% - \put(406,0){\line(-3,-5){103}}% %bond 4-5 - \else% - \put(406,0){\line(-3,-5){79}}% %bond 4-5 - \fi% - \else% - \ifx\eee\empty% - \put(382,-40){\line(-3,-5){79}}% %bond 4-5 - \else% - \put(382,-40){\line(-3,-5){62}}% %bond 4-5 - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\hskbondb} -% The macro |\hskbondb| refers to the control sequences representing -% atoms on both of the terminal vertices (|\bbb| and |\ccc|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%bond between 3 and 2 -\def\hskbondb{% - \ifx\bbb\empty% - \ifx\ccc\empty% - \put(103,171){\line(1,0){200}}% %bond 2-3 - \else% - \put(103,171){\line(1,0){160}}% %bond 3-2 - \fi% - \else% - \ifx\ccc\empty% - \put(143,171){\line(1,0){160}}% %bond 3-2 - \else% - \put(143,171){\line(1,0){120}}% %bond 3-2 - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\hskbonde} -% The macro |\hskbonde| refers to the control sequences representing -% atoms on both of the terminal vertices (|\eee| and |\fff|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%bond between 5 and 6 -\def\hskbonde{% - \ifx\eee\empty% - \ifx\fff\empty% - \put(103,-171){\line(1,0){200}}% %bond 6-5 - \else% - \put(143,-171){\line(1,0){160}}% %bond 5-6 - \fi% - \else% - \ifx\fff\empty% - \put(103,-171){\line(1,0){160}}% %bond 5-6 - \else% - \put(143,-171){\line(1,0){120}}% %bond 5-6 - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\hskbondvert} -% The macro |\hskbondvert| refers to the control sequences representing -% atoms on both of the terminal vertices (|\bbb| and |\fff|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%vertical bond for five-membered rings -\def\hskbondvert{% - \ifx\fff\empty% - \ifx\bbb\empty% - \put(103,-171){\line(0,1){342}}% %bond 4-3 - \else% - \put(103,-171){\line(0,1){300}}% %bond 4-3 - \fi% - \else% - \ifx\bbb\empty% - \put(103,171){\line(0,-1){300}}% %bond 4-3 - \else% - \put(103,-129){\line(0,1){258}}% %bond 4-3 - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\hskbondverti} -% The macro |\hskbondverti| refers to the control sequences representing -% atoms on both of the terminal vertices (|\eee| and |\ccc|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%vertical bond for five-membered rings (inverse type) -\def\hskbondverti{% - \ifx\eee\empty% - \ifx\ccc\empty% - \put(303,-171){\line(0,1){342}}% %bond 4-3 - \else% - \put(303,-171){\line(0,1){300}}% %bond 4-3 - \fi% - \else% - \ifx\ccc\empty% - \put(303,171){\line(0,-1){300}}% %bond 4-3 - \else% - \put(303,-129){\line(0,1){258}}% %bond 4-3 - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \subsection{Dotted Skeletal Bonds} -% -% The macros |\sixfuseh| etc. use inner macros for setting -% skeletal bonds in accordance with the presence or the absence of -% hetero atoms. During the processes of such setting, -% the inner macros |\dothskbonda| to |\dothskbondf| are used -% to set a dotted bond on each edge of a six- or five-membered ring. -% -% \begin{macro}{\dothskbonda} -% The macro |\dothskbonda| is the dotted counterpart of |\hskbonda|, -% which refers to the control sequences representing -% atoms on both of the terminal vertices (|\aaa| and |\bbb|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%bond between 1 and 2 -\def\dothskbonda{% - \ifx\aaa\empty% - \ifx\bbb\empty% - \@ifundefined{dottedline}{% - \put(0,0){\line(3,5){103}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(0,0)(103,171)}}% - \else% - \@ifundefined{dottedline}{% - \put(0,0){\line(3,5){79}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(0,0)(79,132)}}% - \fi% - \else% - \ifx\bbb\empty% - \@ifundefined{dottedline}{% - \put(24,40){\line(3,5){79}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(24,40)(103,171)}}% - \else% - \@ifundefined{dottedline}{% - \put(24,40){\line(3,5){62}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(24,40)(86,143)}}% - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\dothskbondb} -% The macro |\dothskbondb| is the dotted counterpart of |\hskbondb|, -% which refers to the control sequences representing -% atoms on both of the terminal vertices (|\bbb| and |\ccc|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%bond between 3 and 2 -\def\dothskbondb{% - \ifx\bbb\empty% - \ifx\ccc\empty% - \@ifundefined{dottedline}{% - \put(103,171){\line(1,0){200}}% %bond 2-3 - }{{\thicklines% - \dottedline{20}(103,171)(303,171)}}% - \else% - \@ifundefined{dottedline}{% - \put(103,171){\line(1,0){160}}% %bond 3-2 - }{{\thicklines% - \dottedline{20}(103,171)(263,171)}}% - \fi% - \else% - \ifx\ccc\empty% - \@ifundefined{dottedline}{% - \put(143,171){\line(1,0){160}}% %bond 3-2 - }{{\thicklines% - \dottedline{20}(143,171)(303,171)}}% - \else% - \@ifundefined{dottedline}{% - \put(143,171){\line(1,0){120}}% %bond 3-2 - }{{\thicklines% - \dottedline{20}(143,171)(263,171)}}% - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\dothskbondc} -% The macro |\dothskbondc| is the dotted counterpart of |\hskbondc|, -% which refers to the control sequences representing -% atoms on both of the terminal vertices (|\ddd| and |\ccc|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%bond between 4 and 3 -\def\dothskbondc{% - \ifx\ddd\empty% - \ifx\ccc\empty% - \@ifundefined{dottedline}{% - \put(406,0){\line(-3,5){103}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(406,0)(303,171)}}% - \else% - \@ifundefined{dottedline}{% - \put(406,0){\line(-3,5){79}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(406,0)(327,132)}}% - \fi% - \else% - \ifx\ccc\empty% - \@ifundefined{dottedline}{% - \put(382,40){\line(-3,5){79}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(382,40)(303,171)}}% - \else% - \@ifundefined{dottedline}{% - \put(382,40){\line(-3,5){62}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(382,40)(320,143)}}% - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\dothskbondd} -% The macro |\dothskbondd| is the dotted counterpart of |\hskbondd|, -% which refers to the control sequences representing -% atoms on both of the terminal vertices (|\ddd| and |\eee|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%bond between 4 and 5 -\def\dothskbondd{% - \ifx\ddd\empty% - \ifx\eee\empty% - \@ifundefined{dottedline}{% - \put(406,0){\line(-3,-5){103}}% %bond 4-5 - }{{\thicklines% - \dottedline{20}(406,0)(303,-171)}}% - \else% - \@ifundefined{dottedline}{% - \put(406,0){\line(-3,-5){79}}% %bond 4-5 - }{{\thicklines% - \dottedline{20}(406,0)(327,-132)}}% - \fi% - \else% - \ifx\eee\empty% - \@ifundefined{dottedline}{% - \put(382,-40){\line(-3,-5){79}}% %bond 4-5 - }{{\thicklines% - \dottedline{20}(382,-40)(303,-171)}}% - \else% - \@ifundefined{dottedline}{% - \put(382,-40){\line(-3,-5){62}}% %bond 4-5 - }{{\thicklines% - \dottedline{20}(382,-40)(320,-143)}}% - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\dothskbonde} -% The macro |\dothskbonde| is the dotted counterpart of |\hskbonde|, -% which refers to the control sequences representing -% atoms on both of the terminal vertices (|\eee| and |\fff|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%bond between 5 and 6 -\def\dothskbonde{% - \ifx\eee\empty% - \ifx\fff\empty% - \@ifundefined{dottedline}{% - \put(103,-171){\line(1,0){200}}% %bond 6-5 - }{{\thicklines% - \dottedline{20}(103,-171)(303,-171)}}% - \else% - \@ifundefined{dottedline}{% - \put(143,-171){\line(1,0){160}}% %bond 5-6 - }{{\thicklines% - \dottedline{20}(143,-171)(303,-171)}}% - \fi% - \else% - \ifx\fff\empty% - \@ifundefined{dottedline}{% - \put(103,-171){\line(1,0){160}}% %bond 5-6 - }{{\thicklines% - \dottedline{20}(103,-171)(263,-171)}}% - \else% - \@ifundefined{dottedline}{% - \put(143,-171){\line(1,0){120}}% %bond 5-6 - }{{\thicklines% - \dottedline{20}(143,-171)(263,-171)}}% - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\dothskbondf} -% The macro |\dothskbondf| is the dotted counterpart of |\hskbondf|, -% which refers to the control sequences representing -% atoms on both of the terminal vertices (|\aaa| and |\fff|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%bond between 1 and 6 -\def\dothskbondf{% - \ifx\aaa\empty% - \ifx\fff\empty - \@ifundefined{dottedline}{% - \put(0,0){\line(3,-5){103}}% %bond 1-6 - }{{\thicklines% - \dottedline{20}(0,0)(103,-171)}}% - \else% - \@ifundefined{dottedline}{% - \put(0,0){\line(3,-5){79}}% %bond 1-6 - }{{\thicklines% - \dottedline{20}(0,0)(79,-131)}}% - \fi% - \else% - \ifx\fff\empty% - \@ifundefined{dottedline}{% - \put(24,-40){\line(3,-5){79}}% %bond 1-6 - }{{\thicklines% - \dottedline{20}(24,-40)(103,-171)}}% - \else% - \@ifundefined{dottedline}{% - \put(24,-40){\line(3,-5){62}}% %bond 1-6 - }{{\thicklines% - \dottedline{20}(24,-40)(86,-143)}}% - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\dothskbondvert} -% The macro |\dothskbondvert| refers to the control sequences representing -% atoms on both of the terminal vertices (|\bbb| and |\fff|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%vertical bond for five-membered rings -\def\dothskbondvert{% - \ifx\fff\empty% - \ifx\bbb\empty% - \@ifundefined{dottedline}{% - \put(103,-171){\line(0,1){342}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(103,-171)(103,171)}}% - \else% - \@ifundefined{dottedline}{% - \put(103,-171){\line(0,1){300}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(103,-171)(103,129)}}% - \fi% - \else% - \ifx\bbb\empty% - \@ifundefined{dottedline}{% - \put(103,171){\line(0,-1){300}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(103,171)(103,-129)}}% - \else% - \@ifundefined{dottedline}{% - \put(103,-129){\line(0,1){258}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(103,-129)(103,129)}}% - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\dothskbondverti} -% The macro |\dothskbondverti| refers to the control sequences representing -% atoms on both of the terminal vertices (|\eee| and |\ccc|) and -% examine whether these are empty or not. Thereby, -% it decides the vertices to be truncated. -% -% \begin{macrocode} -%vertical bond for five-membered rings (inverse type) -\def\dothskbondverti{% - \ifx\eee\empty% - \ifx\ccc\empty% - \@ifundefined{dottedline}{% - \put(303,-171){\line(0,1){342}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(303,-171)(303,171)}}% - \else% - \@ifundefined{dottedline}{% - \put(303,-171){\line(0,1){300}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(303,-171)(303,129)}}% - \fi% - \else% - \ifx\ccc\empty% - \@ifundefined{dottedline}{% - \put(303,171){\line(0,-1){300}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(303,171)(303,-129)}}% - \else% - \@ifundefined{dottedline}{% - \put(303,-129){\line(0,1){258}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(303,-129)(303,129)}}% - \fi\fi}% -% \end{macrocode} -% \end{macro} -% -% The macro |\set@skel@bondh| is used in |\sixfuseh| etc. -% for setting skeletal bonds (outer bonds), when |\@aaa| etc. -% (produced by |\csname|...|\endcsname|) are equal to `a' -% etc. (given as \#2). Thinline, thickline and dotted-line -% skeletal bonds are available. -% -% \begin{macro}{\set@skel@bondh} -% \begin{macrocode} -\def\set@skel@bondh#1#2#3{% - \expandafter\if\csname @#2#2#2\endcsname #2\relax%OK - % \if\@aaa #2\relax%OK - \@skbondlistfalse - \@tfor\member:=#1\do{% - \expandafter\twoCH@@R\member// - \if\@@tmpa #2\relax% - \if\@@tmpb A\relax% - \expandafter\csname dothskbond#3\endcsname% \dothskbonda etc. - \@skbondlisttrue - \else\if\@@tmpb B\relax% - {\thicklines - \expandafter\csname hskbond#3\endcsname% \hskbonda etc. - }% - \@skbondlisttrue - \fi\fi - \fi% - }% - \if@skbondlist\else - {\thinlines - \expandafter\csname hskbond#3\endcsname% \hskbonda etc. - }% - \fi% - \else - \expandafter\ifx\csname @#2#2#2\endcsname \empty\relax% - % \ifx\@aaa\empty\relax - \@tfor\member:=#1\do{% - \expandafter\twoCH@@R\member// - \if\@@tmpa #2\relax% - \XyMTeXWarning{Unavailable bond `#2' in SKBONDLIST}\fi - }% - \fi\fi -}% end of \set@skel@bondh -% \end{macrocode} -% \end{macro} -% -% \section{Six-membered heterocyles} -% \subsection{Horizontal type} -% -% The standard skeleton of a six-membered heterocycle is selected -% to have the following locant numbers. -% -% \begin{verbatim} -% ************************* -% * sixhetero derivatives * -% * (horizontal type) * -% ************************* -% The following numbering is adopted in this macro. -% -% b -% 2 3 -% a ----- c -% * * -% the original point ===> 1 * * 4 -% (0,0) * * d -% f ----- -% 6 5 -% e -% -% \end{verbatim} -% -% The macro |\sixheterovh| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \sixheteroh(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `f' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to f, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `A' represents an aromatic circle. The option -% `$n+$' ($n=1$ to $6$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST = -% -% none or r : sixhetero (right-handed) -% l : sixhetero (left-handed) -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,6-double bond -% f : 6,1-double bond -% A : aromatic circle -% {n+} : plus at the n-nitrogen atom (n = 1 to 6) -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 6 atoms) -% -% for n = 1 to 6 -% -% n : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents (max 6 substitution positions) -% -% for n = 1 to 6 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges may be regarded as both fused and non-fused -% positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a, b, c, d, e, or f) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \sixheteroh{1==N}{1==Cl;2==F} -% \sixheteroh[c]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \sixheteroh[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl} -% \end{verbatim} -% -% The definition of |\sixheteroh| uses a picture environment and -% consists of the following unit processes: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by |\setsixringh|. -% \end{enumerate} -% -% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/11/29}{Add: Spiro and fused rings} -% -% \begin{macro}{\sixheteroh} -% \begin{macro}{\@six@heteroh} -% \begin{macro}{\@six@@heteroh} -% \begin{macro}{\@sixheteroh} -% \begin{macrocode} -\def\sixheteroh{\@ifnextchar({\@six@heteroh(@}{\@six@heteroh(@)}} -\def\@six@heteroh(#1){\@ifnextchar[{\@six@@heteroh(#1)[@}% -{\@six@@heteroh(#1)[@]}} -\def\@six@@heteroh(#1)[#2]#3#4{\@ifnextchar[% -{\@sixheteroh(#1)[#2]{#3}{#4}[@}% -{\@sixheteroh(#1)[#2]{#3}{#4}[@]}} -\def\@sixheteroh(#1)[#2]#3#4[#5]{% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniatom\iniflag%initialize -\test@vrtx@sixh{#3}% -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % adjustment of attached positions % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\@reset@ylsw% -\ylpositionh{#4}{0}{0}{7}{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff -\begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(880,800)(-240,-400)% - \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `sixheteroh' origin: % - (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -{% -\resetbdsw% -\@bond@@omit{#5}% -\set@skel@bondh{#1}{a}{a}% bond between 1 and 2 \@aaa -> \hskbonda etc -\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc -\set@skel@bondh{#1}{c}{c}% bond between 3 and 4 \@ccc -> \hskbondc etc -\set@skel@bondh{#1}{d}{d}% bond between 4 and 5 \@ddd -> \hskbondd etc -\set@skel@bondh{#1}{e}{e}% bond between 5 and 6 \@eee -> \hskbonde etc -\set@skel@bondh{#1}{f}{f}% bond between 6 and 1 \@fff -> \hskbondf etc -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r\relax \hbondd \hbondf \hbondb% -\else \if\member l\relax \hbonda \hbondc \hbonde% -\else \if\member a\relax \hbonda% -\else \if\member b\relax \hbondb% -\else \if\member c\relax \hbondc% -\else \if\member d\relax \hbondd% -\else \if\member e\relax \hbonde% -\else \if\member f\relax \hbondf% -\else \if\member A%left aromatic circle -% \put(0,203){\circle{240}}% %circle - \put(203,0){\circle{240}}% %circle -% %%%%%%%%%%%%%%%%%%%%%%%%% -% % inner bond attachment % -% %%%%%%%%%%%%%%%%%%%%%%%%% -\else \expandafter\twoCH@@R\member//% - \set@fusionadd@sixh -\fi\fi\fi\fi\fi\fi\fi\fi\fi}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\set@hetatom@sixh{#3}{0}{0}{7}{0}% %atom 1--6% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\setsixringh{#4}{0}{0}{7}{0}% %subst 1--6 -\end{picture}\iniatom\iniflag}% %end of \sixheteroh macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The macro |\test@vrtx@sixh| is used to test the presence of -% a hetero atom or a spiro substituent on a vertex of the -% sixheteroh nucleus. -% -% \begin{macro}{\test@vrtx@sixh} -% \begin{macrocode} -\def\test@vrtx@sixh#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa% - \or% \xdef\aaa{\@memberb}% - \if\@tmpb s\relax\def\aaa{}\else\def\aaa{@}\fi - \or% \xdef\bbb{\@memberb}% - \if\@tmpb s\relax\def\bbb{}\else\def\bbb{@}\fi - \or% \xdef\ccc{\@memberb}% - \if\@tmpb s\relax\def\ccc{}\else\def\ccc{@}\fi - \or% \xdef\ddd{\@memberb}% - \if\@tmpb s\relax\def\ddd{}\else\def\ddd{@}\fi - \or% \xdef\eee{\@memberb}% - \if\@tmpb s\relax\def\eee{}\else\def\eee{@}\fi - \or% \xdef\fff{\@memberb}% - \if\@tmpb s\relax\def\fff{}\else\def\fff{@}\fi -\fi\fi}% -}% end of \test@vrtx@sixh -% \end{macrocode} -% \end{macro} -% -% \subsection{Inverse horizontal type} -% -% The standard skeleton of a six-membered heterocycle of inverse type -% is selected to have the following locant numbers. -% -% \begin{verbatim} -% ************************************ -% * sixhetero derivatives * -% * (horizontal type, inverse type) * -% ************************************ -% The following numbering is adopted in this macro. -% -% b -% 3 2 -% c ----- a -% * * -% the original point ===> 4 * * 1 -% (0,0) * * f -% d ----- -% 5 6 -% e -% \end{verbatim} -% -% The macro |\sixheterohi| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \sixheterohi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `f' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to f, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `A' represents an aromatic circle. The option -% `$n+$' ($n=1$ to $6$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% -% BONDLIST = -% -% none or r : sixhetero (right-handed) -% l : sixhetero (left-handed) -% [] : fully saturated form -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,6-double bond -% f : 6,1-double bond -% A : aromatic circle -% {n+} : plus at the n-nitrogen atom (n = 1 to 4) -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 6 atoms) -% -% for n = 1 to 6 -% -% n : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents (max 6 substitution positions) -% -% for n = 1 to 6 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges may be regarded as both fused and non-fused -% positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a, b, c, d, e, or f) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \sixheterohi{1==N}{1==Cl;2==F} -% \sixheterohi[c]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \sixheterohi[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl} -% \end{verbatim} -% -% The definition of |\sixheterohi| uses a picture environment and -% consists of the same unit processes as shown in |\sixheterov|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by |\setsixringh|. -% \end{enumerate} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/11/29}{Add: Spiro and fused rings} -% -% \begin{macro}{\sixheterohi} -% \begin{macro}{\@six@heterohi} -% \begin{macro}{\@six@@heterohi} -% \begin{macro}{\@sixheterohi} -% \begin{macrocode} -\def\sixheterohi{\@ifnextchar({\@six@heterohi(@}{\@six@heterohi(@)}} -\def\@six@heterohi(#1){\@ifnextchar[{\@six@@heterohi(#1)[@}% -{\@six@@heterohi(#1)[@]}} -\def\@six@@heterohi(#1)[#2]#3#4{\@ifnextchar[% -{\@sixheterohi(#1)[#2]{#3}{#4}[@}% -{\@sixheterohi(#1)[#2]{#3}{#4}[@]}} -\def\@sixheterohi(#1)[#2]#3#4[#5]{% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniatom\iniflag%initialize -\test@vrtx@sixhi{#3}% -\@reset@ylsw% -\ylpositionh{#4}{5}{0}{5}{-1}% %subst 1--4 -\ylpositionh{#4}{11}{4}{7}{-1}% %subst 5 and 6 -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(880,800)(-240,-400)% - \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `sixheterohi' origin: % - (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -{\resetbdsw% -\@bond@@omit{#5}% -\set@skel@bondh{#1}{a}{c}% bond between 1 and 2 \@aaa -> \hskbondc etc -\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc -\set@skel@bondh{#1}{c}{a}% bond between 3 and 4 \@ccc -> \hskbonda etc -\set@skel@bondh{#1}{d}{f}% bond between 4 and 5 \@ddd -> \hskbondf etc -\set@skel@bondh{#1}{e}{e}% bond between 5 and 6 \@eee -> \hskbonde etc -\set@skel@bondh{#1}{f}{d}% bond between 6 and 1 \@fff -> \hskbondd etc -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r\relax \hbondd \hbondf \hbondb% -\else \if\member l\relax \hbonda \hbondc \hbonde% -\else \if\member a\relax \hbondc% -\else \if\member b\relax \hbondb% -\else \if\member c\relax \hbonda% -\else \if\member d\relax \hbondf% -\else \if\member e\relax \hbonde% -\else \if\member f\relax \hbondd% -\else \if\member A%left aromatic circle -% \put(0,203){\circle{240}}% %circle - \put(203,0){\circle{240}}% %circle -% %%%%%%%%%%%%%%%%%%%%%%%%% -% % inner bond attachment % -% %%%%%%%%%%%%%%%%%%%%%%%%% -\else \expandafter\twoCH@@R\member//% - \set@fusionadd@sixhi -\fi\fi\fi\fi\fi\fi\fi\fi\fi}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\set@hetatom@sixh{#3}{5}{0}{5}{-1}% %subst 1--4 -\set@hetatom@sixh{#3}{11}{4}{7}{-1}% %subst 5 and 6 -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\setsixringh{#4}{5}{0}{5}{-1}% %subst 1--4 -\setsixringh{#4}{11}{4}{7}{-1}% %subst 5 and 6 -\end{picture}\iniatom\iniflag}% %end of \sixheterohi macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The macro |\test@vrtx@sixhi| is used to test the presence of -% a hetero atom or a spiro substituent on a vertex of the -% sixheteroh nucleus. -% -% \begin{macro}{\test@vrtx@sixhi} -% \begin{macrocode} -\def\test@vrtx@sixhi#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa% - \or \if\@tmpb s\relax\def\ddd{}\else\def\ddd{@}\fi - \or \if\@tmpb s\relax\def\ccc{}\else\def\ccc{@}\fi - \or \if\@tmpb s\relax\def\bbb{}\else\def\bbb{@}\fi - \or \if\@tmpb s\relax\def\aaa{}\else\def\aaa{@}\fi - \or \if\@tmpb s\relax\def\fff{}\else\def\fff{@}\fi - \or \if\@tmpb s\relax\def\eee{}\else\def\eee{@}\fi -\fi\fi}% -}% end of \test@vrtx@sixhi -% \end{macrocode} -% \end{macro} -% -% \subsection{Pyridine derivatives of horizontal type} -% -% The macros |\sixheteroh| and |\sixheterohi| can be used in the -% form of a fixed |ATOMLIST|. Hence, the resulting commands for -% drawing a six-membered heterocyle with one or more nitrogen atoms -% have an argument |SUBSLIST| as well as an optional argument |BONDLIST|. -% -% \begin{verbatim} -% ************************ -% * pyridine derivatives * -% * (horizontal type) * -% ************************ -% -% \pyridineh[BONDLIST]{SUBSLIST} -% \pyridinehi[BONDLIST]{SUBSLIST} -% \pyrazineh[BONDLIST]{SUBSLIST} -% \pyrimidineh[BONDLIST]{SUBSLIST} -% \pyrimidinehi[BONDLIST]{SUBSLIST} -% \triazineh[BONDLIST]{SUBSLIST} -% \triazinehi[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one -% character selected from a to f, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `A' represents an aromatic circle. The option -% `$n+$' ($n=1$ to $6$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST = -% -% none or r : pyridine (right-handed) -% l : pyridine (left-handed) -% [] : fully saturated ring -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,6-double bond -% f : 6,1-double bond -% A : aromatic circle -% {n+} : plus at the nitrogen atom -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 6 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \pyridineh{1==Cl;2==F} -% \pyridineh[c]{1==Cl;4==F;2==CH$_{3}$} -% \pyridineh[eb]{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl} -% \end{verbatim} -% \changes{v2.00}{1998/11/29}{Add: fused rings} -% -% \begin{macro}{\pyridineh} -% \begin{macro}{\pyridinehi} -% \begin{macrocode} -\def\pyridineh{\@ifnextchar[{\@pyridineh[@}{\@pyridineh[r]}}% -\def\@pyridineh[#1]#2{% -\iforigpt \typeout{command `pyridineh' % - is based on `sixheteroh'.}\fi% -\sixheteroh[#1]{1==N}{#2}}%end of \pyridineh macro -\def\pyridinehi{\@ifnextchar[{\@pyridinehi}{\@pyridinehi[r]}}% -\def\@pyridinehi[#1]#2{% -\iforigpt \typeout{command `pyridinehi' % - is based on `sixheterohi'.}\fi% -\sixheterohi[#1]{1==N}{#2}}% %end of \pyridinehi macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\pyridazineh} -% \begin{macrocode} -\def\pyrazineh{\@ifnextchar[{\@pyrazineh[@}{\@pyrazineh[r]}}% -\def\@pyrazineh[#1]#2{% -\iforigpt \typeout{command `pyrazineh' % - is based on `sixheteroh'.}\fi% -\sixheteroh[#1]{1==N;4==N}{#2}}%end of \pyrazineh macro -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\pyrimidineh} -% \begin{macro}{\pyrimidinehi} -% \begin{macrocode} -\def\pyrimidineh{% - \@ifnextchar[{\@pyrimidineh[@}{\@pyrimidineh[r]}}% -\def\@pyrimidineh[#1]#2{% -\iforigpt \typeout{command `pyrimidineh' % - is based on `sixheteroh'.}\fi% -\sixheteroh[#1]{1==N;3==N}{#2}}% - %end of \pyrimidineh macro -\def\pyrimidinehi{% - \@ifnextchar[{\@pyrimidinehi[@}{\@pyrimidinehi[r]}}% -\def\@pyrimidinehi[#1]#2{% -\iforigpt \typeout{command `pyrimidinehi' % - is based on `sixheterohi'.}\fi% -\sixheterohi[#1]{1==N;3==N}{#2}}%end of \pyrimidinehi macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\pyridazineh} -% \begin{macro}{\pyridazinehi} -% \begin{macrocode} -\def\pyridazineh{\@ifnextchar[{\@pyridazineh[@}{\@pyridazineh[r]}}% -\def\@pyridazineh[#1]#2{% -\iforigpt \typeout{command `pyridazineh' % - is based on `sixheteroh'.}\fi% -\sixheteroh[#1]{1==N;2==N}{#2}}% - %end of \pyridazineh macro -\def\pyridazinehi{% - \@ifnextchar[{\@pyridazinehi}{\@pyridazinehi[r]}}% -\def\@pyridazinehi[#1]#2{% -\iforigpt \typeout{command `pyridazinehi' % - is based on `sixheterohi'.}\fi% -\sixheterohi[#1]{1==N;2==N}{#2}}%end of \pyridazinehi macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\triazineh} -% \begin{macro}{\triazinehi} -% \begin{macrocode} -\def\triazineh{\@ifnextchar[{\@triazineh[@}{\@triazineh[r]}}% -\def\@triazineh[#1]#2{% -\iforigpt \typeout{command `triazineh' % - is based on `sixheteroh'.}\fi% -\sixheteroh[#1]{1==N;3==N;5==N}{#2}}%end of \triazineh macro -\def\triazinehi{\@ifnextchar[{\@triazinehi[@}{\@triazinehi[r]}}% -\def\@triazinehi[#1]#2{% -\iforigpt \typeout{command `triazinehi' % - is based on `sixheterohi'.}\fi% -\sixheterohi[#1]{1==N;3==N;5==N}{#2}}%end of \triazinehi macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \section{Five-membered heterocycles} -% \subsection{Horizontal type} -% -% The standard skeleton of a five-membered heterocycle -% is selected to have the following locant numbers. -% -% \begin{verbatim} -% **************************** -% * fivehetero derivatives * -% * (horizontal type) * -% **************************** -% The following numbering is adopted in this macro. -% -% 3 _____ 2 -% | * -% | * 1 <===== the original point -% | * -% 4 ----- 5 -% \end{verbatim} -% -% The macro |\fiveheteroh| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \fiveheteroh(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `e' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to e, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `A' represents an aromatic circle. The option -% `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom -% at the $n$-position. The option -% `$0+$' represents a plus charge at the center of the ring. -% -% \begin{verbatim} -% BONDLIST: list of inner double bonds -% -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,1-double bond -% A : aromatic circle -% {n+} : plus at the n-nitrogen atom (n = 1 to 5) -% {0+} : plus (or others) at the center -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 5 atoms) -% -% for n = 1 to 5 -% -% n : Hetero atom, e.g. N, O, etc. at n-position -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 5 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges may be regarded as both fused and non-fused -% positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a, b, c, d, or e) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \fiveheteroh{1==N}{1==H;2==F} -% \fiveheteroh[c]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \fiveheteroh[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl} -% \end{verbatim} -% -% The definition of |\fiveheteroh| uses a picture environment and -% consists of the same unit processes as shown in |\sixheterov|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by |\setsixringh| partially. -% \end{enumerate} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/5}{Add: fused and spiro rings} -% -% \begin{macro}{\fiveheteroh} -% \begin{macro}{\@five@heteroh} -% \begin{macro}{\@five@@heteroh} -% \begin{macro}{\@fiveheteroh} -% \begin{macrocode} -\def\fiveheteroh{\@ifnextchar({\@five@heteroh(@}{\@five@heteroh(@)}} -\def\@five@heteroh(#1){\@ifnextchar[{\@five@@heteroh(#1)[@}% -{\@five@@heteroh(#1)[@]}} -\def\@five@@heteroh(#1)[#2]#3#4{\@ifnextchar[% -{\@fiveheteroh(#1)[#2]{#3}{#4}[@}% -{\@fiveheteroh(#1)[#2]{#3}{#4}[@]}} -\def\@fiveheteroh(#1)[#2]#3#4[#5]{% -\iniatom\iniflag%initialize -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\test@vrtx@fivehi{#3}% -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % adustment of subs positions % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\@reset@ylsw% -\ylpositionh{#4}{5}{1}{5}{-1}% % for 1 to 3 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -\ylpositionh{#4}{10}{4}{7}{-1}% % for 4 to 5 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(800,880)(-240,-400)% - \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `fiveheteroh' origin: % - (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -{\resetbdsw% -\@bond@@omit{#5}% -\set@skel@bondh{#1}{a}{c}% bond between 1 and 2 \@aaa -> \skbondc etc -\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc -\set@skel@longbond{#1}{c}{hskbondvert}% - % bond between 3 and 4 \@ccc -> \skbondhoriz etc -\set@skel@bondh{#1}{d}{e}% bond between 4 and 5 \@ddd -> \skbonde etc -\set@skel@bondh{#1}{e}{d}% bond between 5 and 1 \@eee -> \skbondd etc -}% -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r% -\else \if\member a\relax \hbondc% -\else \if\member b\relax \hbondb% -\else \if\member c\relax \hbondvert% -\else \if\member d\relax \hbonde% -\else \if\member e\relax \hbondd% -\else \if\member A%left aromatic circle - \put(233,0){\circle{180}}% %circle -\else - \expandafter\twoCH@@R\member//% - \set@fusionadd@fiveh -\fi\fi\fi\fi\fi\fi\fi}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\put(0,0){\set@hetatom@sixh{#3}{5}{1}{5}{-1}}% % for 1 to 3 -\put(0,0){\set@hetatom@sixh{#3}{10}{4}{7}{-1}}% % for 4 to 5 -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\put(0,0){\setsixringh{#4}{5}{1}{5}{-1}}% % for 1 to 3 -\put(0,0){\setsixringh{#4}{10}{4}{7}{-1}}% % for 4 to 5 -\end{picture}\iniatom\iniflag}% %end of \fiveheteroh macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The macro |\test@vrtx@fivehi| is used to test the presence of -% a hetero atom or a spiro substituent on a vertex of the -% fiveheteroh nucleus. -% -% \begin{macro}{\test@vrtx@fivehi} -% \begin{macrocode} -\def\test@vrtx@fivehi#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa% - \or \if\@tmpb s\relax\def\ddd{}\else\def\ddd{@}\fi - \or \if\@tmpb s\relax\def\ccc{}\else\def\ccc{@}\fi - \or \if\@tmpb s\relax\def\bbb{}\else\def\bbb{@}\fi - \or \if\@tmpb s\relax\def\fff{}\else\def\fff{@}\fi - \or \if\@tmpb s\relax\def\eee{}\else\def\eee{@}\fi - \or \if\@tmpb s\relax\def\aaa{}\else\def\aaa{@}\fi% dummy -\fi\fi}% -}% end of \test@vrtx@sixhi -% \end{macrocode} -% \end{macro} -% -% \subsection{Inverse horizontal type} -% -% The standard skeleton of a five-membered heterocycle of inverse type -% is selected to have the following locant numbers. -% -% \begin{verbatim} -% ******************************* -% * fivehetero derivatives * -% * (horizontal type, inverse) * -% ******************************* -% The following numbering is adopted in this macro. -% -% 2 ----- 3 -% * | -% the original point 1 * | -% * | -% _____| -% 5 4 -% \end{verbatim} -% -% The macro |\fiveheterohi| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \fiveheterohi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `e' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to e, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `A' represents an aromatic circle. The option -% `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom -% at the $n$-position. The option -% `$0+$' represents a plus charge at the center of the ring. -% -% \begin{verbatim} -% -% BONDLIST: list of inner double bonds -% -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,1-double bond -% A : aromatic circle -% {n+} : plus at the n-nitrogen atom (n = 1 to 5) -% {0+} : plus (or others) at the center -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 5 atoms) -% -% for n = 1 to 5 -% -% n : Hetero atom, e.g. N, O, etc. at n-position -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 5 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges may be regarded as both fused and non-fused -% positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a, b, c, d, or e) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \fiveheterohi{1==N}{1==H;2==F} -% \fiveheterohi[c]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \fiveheterohi[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl} -% \end{verbatim} -% -% The definition of |\fiveheterohi| uses a picture environment and -% consists of the same unit processes as shown in |\sixheteroh|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by |\setsixringh| partially. -% \end{enumerate} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/5}{Add: fused and spiro rings} -% -% \begin{macro}{\fiveheterohi} -% \begin{macro}{\@five@heterohi} -% \begin{macro}{\@five@@heterohi} -% \begin{macro}{\@fiveheterohi} -% \begin{macrocode} -\def\fiveheterohi{\@ifnextchar({\@five@heterohi(@}{\@five@heterohi(@)}} -\def\@five@heterohi(#1){\@ifnextchar[{\@five@@heterohi(#1)[@}% -{\@five@@heterohi(#1)[@]}} -\def\@five@@heterohi(#1)[#2]#3#4{\@ifnextchar[% -{\@fiveheterohi(#1)[#2]{#3}{#4}[@}% -{\@fiveheterohi(#1)[#2]{#3}{#4}[@]}} -\def\@fiveheterohi(#1)[#2]#3#4[#5]{% -\iniatom\iniflag%initialize -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\test@vertix@sixv{#3}{a}{b}{c}{e}{f}{d}%d--dummy -\@reset@ylsw% -\ylpositionh{#4}{0}{0}{4}{0}% % for 1 to 3 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -\ylpositionh{#4}{1}{4}{7}{0}% % for 4 to 5 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(800,880)(-240,-400)% - \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `fiveheterohi' origin: % - (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -{\resetbdsw% -\@bond@@omit{#5}% -\set@skel@bondh{#1}{a}{a}% bond between 1 and 2 \@aaa -> \hskbonda etc -\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc -\set@skel@longbond{#1}{c}{hskbondverti}% - % bond between 3 and 4 \@ccc -> \hskbondverti etc -\set@skel@bondh{#1}{d}{e}% bond between 4 and 5 \@ddd -> \hskbonde etc -\set@skel@bondh{#1}{e}{f}% bond between 5 and 6 \@eee -> \hskbondf etc -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r% -\else \if\member a\relax \hbonda% -\else \if\member b\relax \hbondb% -\else \if\member c\relax \hbondverti% -\else \if\member d\relax \hbonde% -\else \if\member e\relax \hbondf% -\else \if\member A%left aromatic circle - \put(173,0){\circle{180}}% %circle -\else - \expandafter\twoCH@@R\member//% - \set@fusionadd@fivehi -\fi\fi\fi\fi\fi\fi\fi}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\set@hetatom@sixh{#3}{0}{0}{4}{0}% % for 1 to 3 -\set@hetatom@sixh{#3}{1}{4}{7}{0}% % for 4 to 5 -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\setsixringh{#4}{0}{0}{4}{0}% % for 1 to 3 -\setsixringh{#4}{1}{4}{7}{0}% % for 4 to 5 -\end{picture}\iniatom\iniflag}% %end of \fiveheterohi macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \subsection{Pyrrole derivatives of horizontal type} -% -% The macro |\fiveheteroh| can be used in the -% form of a fixed |ATOMLIST|. Hence, the resulting commands for -% drawing a five-membered heterocyle with one or more nitrogen atoms -% have an argument |SUBSLIST| as well as an optional argument |BONDLIST|. -% -% \begin{verbatim} -% *********************************** -% * pyrrole derivatives and others * -% * (horizontal type) * -% *********************************** -% -% \pyrroleh[BONDLIST]{SUBSLIST} -% \pyrazoleh[BONDLIST]{SUBSLIST} -% \imidazoleh[BONDLIST]{SUBSLIST} -% \isoxazoleh[BONDLIST]{SUBSLIST} -% \oxazoleh[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one -% character selected from a to e, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option -% `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of inner double bonds -% -% none : mother nucleus -% [] : fully saturated form -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,1-double bond -% {n+} : plus at the n-nitrogen atom (n = 1 to 5) -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 5 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \pyrroleh{1==H;2==F} -% \pyrroleh[]{1==H;2==F} -% \imidazoleh[c]{1==Cl;4==F;2==CH$_{3}$} -% \isoxazoleh[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl} -% \end{verbatim} -% -% \begin{macro}{\pyrroleh} -% \begin{macro}{\pyrazoleh} -% \begin{macro}{\imidazoleh} -% \begin{macro}{\isoxazoleh} -% \begin{macro}{\oxazoleh} -% \begin{macrocode} -\def\pyrroleh{\@ifnextchar[{\@pyrroleh[@}{\@pyrroleh[bd]}}% -\def\@pyrroleh[#1]#2{% -\iforigpt \typeout{command `pyrroleh' % - is based on `fiveheteroh'.}\fi% -\fiveheteroh[#1]{1==N}{#2}}% -\def\pyrazoleh{\@ifnextchar[{\@pyrazoleh[@}{\@pyrazoleh[bd]}}% -\def\@pyrazoleh[#1]#2{% -\iforigpt \typeout{command `pyrazoleh' % - is based on `fiveheteroh'.}\fi% -\fiveheteroh[#1]{1==N;2==N}{#2}}% -\def\imidazoleh{\@ifnextchar[{\@imidazoleh[@}{\@imidazoleh[bd]}}% -\def\@imidazoleh[#1]#2{% -\iforigpt \typeout{command `imidazoleh' % - is based on `fiveheteroh'.}\fi% -\fiveheteroh[#1]{1==N;3==N}{#2}}% -\def\isoxazoleh{\@ifnextchar[{\@isoxazoleh[@}{\@isoxazoleh[bd]}}% -\def\@isoxazoleh[#1]#2{% -\iforigpt \typeout{command `isoxazoleh' % - is based on `fiveheteroh'.}\fi% -\fiveheteroh[#1]{1==O;2==N}{#2}}% -\def\oxazoleh{\@ifnextchar[{\@oxazoleh[@}{\@oxazoleh[bd]}}% -\def\@oxazoleh[#1]#2{% -\iforigpt \typeout{command `oxazoleh' % - is based on `fiveheteroh'.}\fi% -\fiveheteroh[#1]{1==O;3==N}{#2}}% -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\furanh} -% \begin{macro}{\thiopheneh} -% \begin{macrocode} -\def\furanh{\@ifnextchar[{\@furanh[@}{\@furanh[bd]}} -\def\@furanh[#1]#2{% -\iforigpt \typeout{command `furanh' % - is based on `fiveheteroh'.}\fi% -\fiveheteroh[#1]{1==O}{#2}} -\def\thiopheneh{\@ifnextchar[{\@thiopheneh[@}{\@thiopheneh[bd]}} -\def\@thiopheneh[#1]#2{% -\iforigpt \typeout{command `thiopheneh' % - is based on `fiveheteroh'.}\fi% -\fiveheteroh[#1]{1==S}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \subsection{Pyrrole derivatives of inverse horizontal type} -% -% The macro |\fiveheterohi| can be used in the -% form of a fixed |ATOMLIST|. Hence, the resulting commands for -% drawing a five-membered heterocyle with one or more nitrogen atoms -% have an argument |SUBSLIST| as well as an optional argument |BONDLIST|. -% -% \begin{verbatim} -% ************************************* -% * pyrrole derivatives and others * -% * (horizontal type, inverse) * -% ************************************* -% -% \pyrrolehi[BONDLIST]{SUBSLIST} -% \pyrazolehi[BONDLIST]{SUBSLIST} -% \imidazolehi[BONDLIST]{SUBSLIST} -% \isoxazolehi[BONDLIST]{SUBSLIST} -% \oxazolehi[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one -% character selected from a to e, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option -% `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of inner double bonds -% -% none : mother nucleus -% [] : fully saturated form -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,1-double bond -% {n+} : plus at the n-nitrogen atom (n = 1 to 5) -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 5 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \pyrrolehi{1==H;2==F} -% \pyrrolehi[]{1==H;2==F} -% \imidazolehi[c]{1==Cl;4==F;2==CH$_{3}$} -% \isoxazolehi[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl} -% \end{verbatim} -% -% \begin{macro}{\pyrrolehi} -% \begin{macro}{\pyrazolehi} -% \begin{macro}{\imidazolehi} -% \begin{macro}{\isoxazolehi} -% \begin{macro}{\oxazolehi} -% \begin{macrocode} -\def\pyrrolehi{\@ifnextchar[{\@pyrrolehi[@}{\@pyrrolehi[bd]}}% -\def\@pyrrolehi[#1]#2{% -\iforigpt \typeout{command `pyrrolehi' % - is based on `fiveheterohi'.}\fi% -\fiveheterohi[#1]{1==N}{#2}}% -\def\pyrazolehi{\@ifnextchar[{\@pyrazolehi[@}{\@pyrazolehi[bd]}}% -\def\@pyrazolehi[#1]#2{% -\iforigpt \typeout{command `pyrazolehi' % - is based on `fiveheterohi'.}\fi% -\fiveheterohi[#1]{1==N;2==N}{#2}}% -\def\imidazolehi{\@ifnextchar[{\@imidazolehi[@}{\@imidazolehi[bd]}}% -\def\@imidazolehi[#1]#2{% -\iforigpt \typeout{command `imidazolehi' % - is based on `fiveheterohi'.}\fi% -\fiveheterohi[#1]{1==N;3==N}{#2}}% -\def\isoxazolehi{\@ifnextchar[{\@isoxazolehi[@}{\@isoxazolehi[bd]}}% -\def\@isoxazolehi[#1]#2{% -\iforigpt \typeout{command `isoxazolehi' % - is based on `fiveheterohi'.}\fi% -\fiveheterohi[#1]{1==O;2==N}{#2}}% -\def\oxazolehi{\@ifnextchar[{\@oxazolehi[@}{\@oxazolehi[bd]}}% -\def\@oxazolehi[#1]#2{% -\iforigpt \typeout{command `oxazolehi' % - is based on `fiveheterohi'.}\fi% -\fiveheterohi[#1]{1==O;3==N}{#2}}% -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\furanhi} -% \begin{macro}{\thiophenehi} -% \begin{macrocode} -\def\furanhi{\@ifnextchar[{\@furanhi[@}{\@furanhi[bd]}} -\def\@furanhi[#1]#2{% -\iforigpt \typeout{command `furanhi' % - is based on `fiveheterohi'.}\fi% -\fiveheterohi[#1]{1==O}{#2}} -\def\thiophenehi{\@ifnextchar[{\@thiophenehi[@}{\@thiophenehi[bd]}} -\def\@thiophenehi[#1]#2{% -\iforigpt \typeout{command `thiophenehi' % - is based on `fiveheterohi'.}\fi% -\fiveheterohi[#1]{1==S}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \section{Six-to-six fused heterocyles} -% \subsection{Horizontal type} -% -% The standard skeleton of a six-to-six fused heterocycle is selected -% to have the following locant numbers. -% -% \begin{verbatim} -% **************************** -% * decahetero derivatives * -% * (horizontal type) * -% **************************** -% The following numbering is adopted in this macro. -% -% 2 3 -% -% *1 4 (*1 origin) -% -% (10)8a 4a(9) -% -% 8 5 -% -% 7 6 -% ____ ____ -% |cf. | -% | 8 (10)1 | -% | * 8a * | -% | 7 * * * * 2 | -% | | | | | -% | | | | | -% | 6 * * * * 3 | -% | * 4a * | -% | 5 (9) 4 | -% | ^ | -% | | | -% | the original point | -% |____ ____| -% \end{verbatim} -% -% The macro |\decaheteroh| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \decaheteroh(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `k' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to k, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `A' and `B' represent aromatic circles. The option -% `$n+$' ($n=1$ to $10$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of bonds -% -% none or r : decahetero (right-handed) -% l : no action -% [] : fully saturated form -% a : 1,2-double bond b : 2,3-double bond -% c : 4,3-double bond d : 4,4a-double bond -% e : 4a,5-double bond f : 5,6-double bond -% g : 6,7-double bond h : 7,8-double bond -% i : 8,8a-double bond j : 1,8a-double bond -% k : 4a,8a-double bond -% K : 4a,8a-double bond in the other ring -% A : aromatic circle B : aromatic circle -% {n+} : plus at the n-nitrogen atom (n = 1 to 10) -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 10 atoms) -% -% for n = 1 to 8 -% -% n : Hetero atom, e.g. N, O, etc. at n-position -% e.g. 1==N for N at 1-position -% na : Hetero atom at 4a or 8b (n=4 or 8) -% e.g. 4a==N (or 9==N) for N at 4a-position -% 8a==N (or {{10}}==N) for N at 8a-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 8 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% for 9 (4a position) and 10 (8a position) -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges may be regarded as both fused and non-fused -% positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a to k; see BONDLIST) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \decaheteroh{1==N}{1==Cl;2==F} -% \decaheteroh[c]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \decaheteroh[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl} -% \end{verbatim} -% -% The definition of |\decaheteroh| uses a picture environment and -% consists of the same unit processes as shown in |\sixheterov|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by using |\setsixringh| several times. -% \end{enumerate} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/11/30}{Add: spiro and fused rings} -% -% \begin{macro}{\decaheteroh} -% \begin{macro}{\@deca@heteroh} -% \begin{macro}{\@deca@@heteroh} -% \begin{macro}{\@decaheteroh} -% \begin{macrocode} -\def\decaheteroh{\@ifnextchar({\@deca@heteroh(@}{\@deca@heteroh(@)}} -\def\@deca@heteroh(#1){\@ifnextchar[{\@deca@@heteroh(#1)[@}% -{\@deca@@heteroh(#1)[@]}} -\def\@deca@@heteroh(#1)[#2]#3#4{\@ifnextchar[% -{\@decaheteroh(#1)[#2]{#3}{#4}[@}% -{\@decaheteroh(#1)[#2]{#3}{#4}[@]}} -\def\@decaheteroh(#1)[#2]#3#4[#5]{% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniflag\iniatom% -\test@vertix@sixv{#3}{a}{b}{c}{d}{e}{f}% -\test@vertix@decav{#3}{g}{h}{i}{j}{@}{@}% -% %%%%%%%%%%%%%%%%%%%%%%% -% % adjustment for (yl) % -% %%%%%%%%%%%%%%%%%%%%%%% -\@reset@ylsw% -\ylhetpositionh{#4}{0}{0}{5}{0}% %substituents on 1 to 4 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\let\ddd=\eee\let\eee=\fff\let\fff=\ggg -\ylhetpositionh{#4}{-1}{3}{7}{0}% %substituents on 5 to 7 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{342}\fi -\else -{\let\aaa=\hhh -\ylhetpositionh{#4}{-7}{0}{2}{0}% %substituent on 8 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{342}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@iclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-8}{4}% %9 for 4a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-303}\def\@@yli{171}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@jclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-9}{10}% %10 for 8a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-103}\def\@@yli{171}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(1200,1200)(-400,-800) - \iforigpt \put(-\shiftii,-\shiftiii){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `decaheteroh' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shiftiii)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -\begingroup -\resetbdsw% -\@bond@@omit{#5}% -{\let\fff=\jjj \let\eee=\iii% -\set@skel@bondh{#1}{a}{a}% bond between 1 and 2 \@aaa -> \hskbonda etc -\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc -\set@skel@bondh{#1}{c}{c}% bond between 3 and 4 \@ccc -> \hskbondc etc -\set@skel@bondh{#1}{d}{d}% bond between 4 and 5 \@ddd -> \skbondd etc -\set@skel@bondh{#1}{k}{e}% bond between 7 and 8 \@kkk -> \skbonde etc -\set@skel@bondh{#1}{j}{f}% bond between 7 and 8 \@jjj -> \skbondf etc -}% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% -\put(0,-342){\set@skel@bondh{#1}{i}{a}}% - % bond between 8a and 8 \@iii -> \hskbonda etc -\put(0,-342){\set@skel@bondh{#1}{e}{c}}% - % bond between 4a and 5 \@eee -> \hskbondc etc -\put(0,-342){\set@skel@bondh{#1}{f}{d}}% - % bond between 5 and 6 \@fff -> \hskbondd etc -\put(0,-342){\set@skel@bondh{#1}{g}{e}}% - % bond between 6 and 7 \@ggg -> \hskbonde etc -\put(0,-342){\set@skel@bondh{#1}{h}{f}}% - % bond between 7 and 8 \@hhh -> \hskbondf etc -}% -\endgroup -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r\relax% -{\let\fff=\jjj \let\eee=\iii% - \put(0,0){\hbonda}% bond between 1 and 2% - \put(0,0){\hbondc}% bond between 3 and 4% -}% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% - \put(0,-342){\hbondb}% bond between 8a and 4a - \put(0,-342){\hbondf}% bond between 8 and 7 - \put(0,-342){\hbondd}% bond between 5 and 6 -}% -\else \if\member l\relax% -\else \if\member a\relax% - \put(0,0){\hbonda}% bond between 1 and 2 -\else \if\member b\relax% - \put(0,0){\hbondb}% bond between 2 and 3 -\else \if\member c\relax% - \put(0,0){\hbondc}% bond between 3 and 4 -% \put(342,0){\hbondc}% bond between 3 and 4 -\else \if\member d\relax% -{\let\eee=\iii% - \put(0,0){\hbondd}% bond between 4 and 4a -}% -\else \if\member e\relax% -{\let\ccc=\iii \let\ddd=\eee% - \put(0,-342){\hbondc}% bond between 5 and 4a -}% -\else \if\member f\relax% -{\let\ddd=\eee \let\eee=\fff% - \put(0,-342){\hbondd}% bond between 5 and 6 -}% -\else \if\member g\relax% -{\let\eee=\fff \let\fff=\ggg% - \put(0,-342){\hbonde}% bond between 6 and 7 -}% -\else \if\member h\relax% -{\let\aaa=\hhh \let\fff=\ggg% - \put(0,-342){\hbondf}% bond between 8 and 7 -}% -\else \if\member i\relax% -{\let\aaa=\hhh \let\bbb=\jjj% - \put(0,-342){\hbonda}% bond between 8 and 8a -}% -\else \if\member j\relax% -{\let\fff=\jjj% - \put(0,0){\hbondf}% bond between 1 and 8a -}% -\else \if\member k\relax% -{\let\ccc=\iii\let\bbb=\jjj% - \put(0,-342){\hbondb}% bond between 8a and 4a -}% -\else \if\member K\relax% -{\let\eee=\iii\let\fff=\jjj% - \put(0,0){\hbonde}% bond between 8a and 4a in the other ring -}% -\else \if\member A%left aromatic circle - \put(203,0){\circle{240}}% %circle -\else \if\member B%left aromatic circle - \put(203,-342){\circle{240}}% %circle -\else - \expandafter\twoCH@@R\member//% - \def\aax{8a} \def\aay{4a} \def\aaz{10}% - \if\@@tmpa 4\relax% - \putratom{272}{-18}{\@@tmpb}% % right type - \else\if\@@tmpa 1\relax% - \putratom{68}{-18}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{233}{60}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{120}{60}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aaz\relax% - \putratom{120}{-110}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aax\relax% - \putratom{120}{-110}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aay\relax - \putratom{233}{-110}{\@@tmpb}% % right type - \else\if\@@tmpa 9\relax% - \putratom{233}{-110}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{272}{-360}{\@@tmpb}% % right type - \else\if\@@tmpa 8\relax% - \putratom{68}{-360}{\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putratom{233}{-452}{\@@tmpb}% % right type - \else\if\@@tmpa 7\relax% - \putratom{120}{-452}{\@@tmpb}% % right type - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -% *********************** -% * setting fused rings * -% *********************** - \expandafter\twoCH@R\member//% - \set@fusion@decah -\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -\fi\fi\fi\fi\fi\fi}% -% \end{macrocode} -% -% \changes{v2.00a}{2000/11/11}{The -% \cs{iniflag} command is added to 5- and 8-substitution.} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\iniflag -\put(0,0){\set@hetatom@sixh{#3}{0}{0}{5}{0}% - \if@aclip \global\@acliptrue\fi - \if@bclip \global\@bcliptrue\fi - \if@cclip \global\@ccliptrue\fi - \if@clip \global\@cliptrue\fi}% %substituents on 1 to 4 -\put(0,-342){\iniflag%2000/11/11 by Shinsaku Fujita - \set@hetatom@sixh{#3}{-1}{3}{7}{0}% - \@gclipfalse \if@fclip \global\@gcliptrue \fi% - \@fclipfalse \if@eclip \global\@fcliptrue \fi% - \@eclipfalse \if@clip \global\@ecliptrue \fi}%substituents on 5 to 7 -\put(0,-342){\iniflag%2000/11/11 by Shinsaku Fujita - \set@hetatom@sixh{#3}{-7}{0}{2}{0}% - \@hclipfalse \if@aclip \global\@hcliptrue \fi}%%substituent on 8 -\put(0,0){\set@vrtx@fuseh{#3}% - \if@iclip \global\@icliptrue \fi - \if@jclip \global\@jcliptrue \fi}% fused positions -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents and exocyclic bonds % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\put(0,0){\setsixringh{#4}{0}{0}{5}{0}}% %substituents on 1 to 4 -{\@clipfalse \if@eclip \@cliptrue \fi% %substituents on 5 to 7 - \@eclipfalse \if@fclip \@ecliptrue \fi% - \@fclipfalse \if@gclip \@fcliptrue \fi% -\put(0,-342){\setsixringh{#4}{-1}{3}{7}{0}}% -}% -{\@aclipfalse \if@hclip \@acliptrue \fi% %substituent on 8 -\put(0,-342){\setsixringh{#4}{-7}{0}{2}{0}}% -}% -{\@clipfusefalse \if@iclip \@clipfusetrue \fi% - \put(303,-171){\setatombond{#4}{-8}{4}} %9 for 4a position -}% -{\@clipfusefalse \if@jclip \@clipfusetrue \fi% - \put(103,-171){\setatombond{#4}{-9}{10}} %10 for 8a position -}% -\end{picture}\iniatom\iniflag}% %end of \decaheteroh macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The command |\ylhetpositionh| is used in the |\decaheteroh| command, -% giving the sift values for drawing a structure as a substituent. -% \changes{v1.02}{1998/10/16}{Newly added command} -% -% \begin{macro}{\ylhetpositionh} -% \begin{macrocode} -\def\ylhetpositionh#1#2#3#4#5{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifnum#5<0\relax% -\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax% -\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax\fi -\ifnum\@tmpaa>#3\relax% -\ifnum\@tmpaa<#4\relax% -\ifcase\@tmpaa%0 omit - \or - \ifx\aaa\empty - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%\@ylatrue% subst. on 1 - \else - \gdef\@ylii{30}\gdef\@yli{0}\global\@ylswtrue%\@ylatrue% subst. on 1 - \fi - \or - \ifx\bbb\empty - \gdef\@ylii{-103}\gdef\@yli{-171}\global\@ylswtrue%\@ylbtrue% subst. on 2 - \else - \gdef\@ylii{-73}\gdef\@yli{-223}\global\@ylswtrue%\@ylbtrue% subst. on 2 - \fi - \or - \ifx\ccc\empty - \gdef\@ylii{-303}\gdef\@yli{-171}\global\@ylswtrue%\@ylctrue% subst. on 3 - \else - \gdef\@ylii{-333}\gdef\@yli{-223}\global\@ylswtrue%\@ylctrue% subst. on 3 - \fi - \or - \ifx\ddd\empty - \gdef\@ylii{-406}\gdef\@yli{0}\global\@ylswtrue%\@yldtrue% subst. on 4 - \else - \gdef\@ylii{-436}\gdef\@yli{0}\global\@ylswtrue%\@yldtrue% subst. on 4 - \fi - \or - \ifx\eee\empty - \gdef\@ylii{-303}\gdef\@yli{171}\global\@ylswtrue%\@yletrue% subst. on 5 - \else - \gdef\@ylii{-333}\gdef\@yli{223}\global\@ylswtrue%\@yletrue% subst. on 5 - \fi - \or - \ifx\fff\empty - \gdef\@ylii{-103}\gdef\@yli{171}\global\@ylswtrue%\@ylftrue% subst. on 6 - \else - \gdef\@ylii{-73}\gdef\@yli{223}\global\@ylswtrue%\@ylftrue% subst. on 6 - \fi -\fi%end of ifcase -\fi\fi\fi\fi\fi}}% -% \end{macrocode} -% \end{macro} -% -% \subsection{Inverse horizontal type} -% -% The standard skeleton of a six-to-six fused heterocycle is selected -% to have the following locant numbers. -% -% \begin{verbatim} -% ************************************ -% * decahetero derivatives * -% * (horizonatl type, inverse type) * -% ************************************ -% The following numbering is adopted in this macro. -% -% 3 2 -% -% *4 1 (*4 origin) -% -% (8)4a 8a(10) -% -% 5 8 -% -% 6 7 -% ____ ____ -% |cf. | -% | 5 (9) 4 | -% | * 4a * | -% | 6 * * * * 3 | -% | | | | | -% | | | | | -% | 7 * * * * 2 | -% | * 8a * | -% | 8 (9) 1 | -% | ^ | -% | | | -% | the original point | -% |____ ____| -% \end{verbatim} -% -% The macro |\decaheterohi| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \decaheterohi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `k' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to k, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The options `A' and `B' represent aromatic circles in two rings. -% The option `$n+$' ($n=1$ to $10$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of bonds -% -% none or r : decahetero (right-handed) -% l : no action -% [] : fully saturated form -% a : 1,2-double bond b : 2,3-double bond -% c : 4,3-double bond d : 4,4a-double bond -% e : 4a,5-double bond f : 5,6-double bond -% g : 6,7-double bond h : 7,8-double bond -% i : 8,8a-double bond j : 1,8a-double bond -% k : 4a,8a-double bond -% K : 4a,8a-double bond in the other ring -% A : aromatic circle B : aromatic circle -% {n+} : plus at the n-nitrogen atom (n = 1 to 10) -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 10 atoms) -% -% for n = 1 to 8 -% -% n : Hetero atom, e.g. N, O, etc. at n-position -% e.g. 1==N for N at 1-position -% na : Hetero atom at 4a or 8b (n=4 or 8) -% e.g. 4a==N (or 9==N) for N at 4a-position -% 8a==N (or {{10}}==N) for N at 8a-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 8 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% for 9 (4a position) and 10 (8a position) -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges may be regarded as both fused and non-fused -% positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a to k; see BONDLIST) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \decaheterohi{1==N}{1==Cl;2==F} -% \decaheterohi[c]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \decaheterohi[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl} -% \end{verbatim} -% -% The definition of |\decaheterohi| uses a picture environment and -% consists of the same unit processes as shown in |\sixheterov|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by using |\setsixringh| several times. -% \end{enumerate} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/1}{Add: spiro and fused rings} -% -% \begin{macro}{\decaheterohi} -% \begin{macro}{\@deca@heterohi} -% \begin{macro}{\@deca@@heterohi} -% \begin{macro}{\@decaheterohi} -% \begin{macrocode} -\def\decaheterohi{\@ifnextchar({\@deca@heterohi(@}{\@deca@heterohi(@)}} -\def\@deca@heterohi(#1){\@ifnextchar[{\@deca@@heterohi(#1)[@}% -{\@deca@@heterohi(#1)[@]}} -\def\@deca@@heterohi(#1)[#2]#3#4{\@ifnextchar[% -{\@decaheterohi(#1)[#2]{#3}{#4}[@}% -{\@decaheterohi(#1)[#2]{#3}{#4}[@]}} -\def\@decaheterohi(#1)[#2]#3#4[#5]{% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniflag\iniatom% -\test@vertix@decavi{#3}% -% %%%%%%%%%%%%%%%%%%%%%%% -% % adjustment for (yl) % -% %%%%%%%%%%%%%%%%%%%%%%% -\@reset@ylsw% -\ylhetpositionh{#4}{5}{0}{5}{-1}% %substituents on 1 to 4 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\let\ddd=\eee\let\eee=\fff\let\fff=\ggg -\ylhetpositionh{#4}{12}{3}{7}{-1}% %substituents on 6 to 8 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{342}\fi -\else -{\let\aaa=\hhh -\ylhetpositionh{#4}{-4}{0}{2}{0}% %substituent on 5 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{342}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@iclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-9}{4}% %10 for 8a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-303}\def\@@yli{171}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@jclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-8}{10}% %9 for 4a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-103}\def\@@yli{171}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(1200,1200)(-400,-800)% - \iforigpt \put(-\shiftii,-\shiftiii){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `decaheterohi' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shiftiii)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -\begingroup -\resetbdsw% -\@bond@@omit{#5}% -{\let\fff=\jjj \let\eee=\iii% -\set@skel@bondh{#1}{a}{c}% bond between 1 and 2 \@aaa -> \hskbondc etc -\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc -\set@skel@bondh{#1}{c}{a}% bond between 3 and 4 \@ccc -> \hskbonda etc -\set@skel@bondh{#1}{d}{f}% bond between 4 and 4a \@ddd -> \hskbondf etc -\set@skel@bondh{#1}{k}{e}% bond between 4a and 8a \@kkk -> \hskbonde etc -\set@skel@bondh{#1}{j}{d}% bond between 8a and 1 \@jjj -> \hskbondd etc -}% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% -\put(0,-342){\set@skel@bondh{#1}{e}{a}}% - % bond between 4a and 5 \@eee -> \hskbonda etc -\put(0,-342){\set@skel@bondh{#1}{i}{c}}% - % bond between 8a and 8 \@iii -> \hskbondc etc -\put(0,-342){\set@skel@bondh{#1}{h}{d}}% - % bond between 7 and 8 \@hhh -> \hskbondd etc -\put(0,-342){\set@skel@bondh{#1}{g}{e}}% - % bond between 6 and 7 \@ggg -> \hskbonde etc -\put(0,-342){\set@skel@bondh{#1}{f}{f}}% - % bond between 5 and 6 \@fff -> \hskbondf etc -}% -\endgroup -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r\relax% -{\let\fff=\jjj \let\eee=\iii% - \put(0,0){\hbonda}% bond between 1 and 2 - \put(0,0){\hbondc}% bond between 3 and 4 -}% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% - \put(0,-342){\hbondb}% bond between 8a and 4a - \put(0,-342){\hbondf}% bond between 8 and 7 - \put(0,-342){\hbondd}% bond between 5 and 6 -}% -\else \if\member l\relax% -\else \if\member a\relax% - \put(0,0){\hbondc}% bond between 3 and 4 -\else \if\member b\relax - \put(0,0){\hbondb}% bond between 2 and 3 -\else \if\member c\relax - \put(0,0){\hbonda}% bond between 1 and 2 -\else \if\member d\relax% -{\let\fff=\jjj% - \put(0,0){\hbondf}% bond between 1 and 8a -}% -\else \if\member e\relax% -{\let\aaa=\hhh \let\bbb=\jjj% - \put(0,-342){\hbonda}% bond between 8 and 8a -}% -\else \if\member f\relax% -{\let\aaa=\hhh \let\fff=\ggg% - \put(0,-342){\hbondf}% bond between 8 and 7 -}% -\else \if\member g\relax% -{\let\eee=\fff \let\fff=\ggg% - \put(0,-342){\hbonde}% bond between 6 and 7 -}% -\else \if\member h\relax% -{\let\ddd=\eee \let\eee=\fff% - \put(0,-342){\hbondd}% bond between 5 and 6 -}% -\else \if\member i\relax% -{\let\ccc=\iii \let\ddd=\eee% - \put(0,-342){\hbondc}% bond between 5 and 4a -}% -\else \if\member j\relax% -{\let\eee=\iii% - \put(0,0){\hbondd}% bond between 4 and 4a -}% -\else \if\member k\relax% -{\let\ccc=\iii\let\bbb=\jjj% - \put(0,-342){\hbondb}% bond between 8a and 4a -}% -\else \if\member K\relax% -{\let\eee=\iii\let\fff=\jjj% - \put(0,0){\hbonde}% bond between 8a and 4a -}% -\else \if\member A%left aromatic circle - \put(203,0){\circle{240}}% %circle -\else \if\member B%left aromatic circle - \put(203,-342){\circle{240}}% %circle -\else \expandafter\twoCH@@R\member//% - \def\aax{8a}\def\aay{4a}\def\aaz{10}% - \if\@@tmpa 4\relax% - \putratom{68}{-18}{\@@tmpb}% % right type - \else\if\@@tmpa 1\relax% - \putratom{272}{-18}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{120}{60}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{233}{60}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aaz\relax% - \putratom{233}{-110}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aax\relax% - \putratom{233}{-110}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aay\relax% - \putratom{120}{-110}{\@@tmpb}% % right type - \else\if\@@tmpa 9\relax% - \putratom{120}{-110}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{68}{-360}{\@@tmpb}% % right type - \else\if\@@tmpa 8\relax% - \putratom{272}{-360}{\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putratom{120}{-452}{\@@tmpb}% % right type - \else\if\@@tmpa 7\relax% - \putratom{233}{-452}{\@@tmpb}% % right type - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -% *********************** -% * setting fused rings * -% *********************** - \expandafter\twoCH@R\member//% - \set@fusion@decahi -\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -\fi\fi\fi\fi\fi\fi}% -% \end{macrocode} -% -% \changes{v2.00a}{2000/11/11}{The -% \cs{iniflag} command is added to 8-substitution.} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\iniflag -\@tmpclipfalse -\put(0,0){\set@hetatom@sixh{#3}{5}{0}{5}{-1}% - \if@aclip \global\@acliptrue\fi - \if@bclip \global\@bcliptrue\fi - \if@cclip \global\@ccliptrue\fi - \if@clip \global\@cliptrue\fi -}% %substituents on 1 to 4 -\put(0,-342){\iniflag%2000/11/11 by Shinsaku Fujita - \set@hetatom@sixh{#3}{12}{3}{7}{-1}% - \@gclipfalse \if@fclip \global\@gcliptrue \fi% - \@fclipfalse \if@eclip \global\@fcliptrue \fi% - \@eclipfalse \if@clip \global\@ecliptrue \fi% -}%substituents on 6 to 8 -\put(0,-342){\set@hetatom@sixh{#3}{-4}{0}{2}{0}% - \@aclipfalse \if@aclip \global\@hcliptrue \fi% -}%%substituent on 5 -\put(0,0){\set@vrtx@decafusehi{#3}% - \@tmpclipfalse - \if@iclip \global\@tmpcliptrue \fi - \if@jclip \global\@icliptrue \fi - \if@tmpclip \global\@jcliptrue \fi -}% fused positions -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents and exocyclic bonds % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\put(0,0){\setsixringh{#4}{5}{0}{5}{-1}}% %substituents on 1 to 4 -{\@clipfalse \if@eclip \@cliptrue \fi% %substituents on 6 to 8 - \@eclipfalse \if@fclip \@ecliptrue \fi% - \@fclipfalse \if@gclip \@fcliptrue \fi% -\put(0,-342){\setsixringh{#4}{12}{3}{7}{-1}}% -}% -{\@aclipfalse \if@hclip \@acliptrue \fi% %substituent on 5 -\put(0,-342){\setsixringh{#4}{-4}{0}{2}{0}}% -}% -{\@clipfusefalse \if@iclip \@clipfusetrue \fi% - \put(303,-171){\setatombond{#4}{-9}{4}}% %10 for 8a position -}% -{\@clipfusefalse \if@jclip \@clipfusetrue \fi - \put(103,-171){\setatombond{#4}{-8}{10}}% %9 for 4a position -}% -\end{picture}\iniatom\iniflag}% %end of \decaheterohi macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The macro |\set@vrtx@decafusehi| is an inner command contained -% in the definition of |\decaheterohi|, where the macro is used to set -% a hetero atom or on a vertex of a bridgehead location. -% -% \begin{macro}{\set@vrtx@decafusehi} -% \begin{macrocode} -\def\set@vrtx@decafusehi#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa\or\or\or - \or%%%%4 - \if\@tmpb a% - \global\@icliptrue% - \putlatom{135}{-211}{\@memberb}% % left type - \else\if\@tmpb h% - \XyMTeXWarning{Forbidden fused position `4a' or `9'}% - \else\if\@tmpb s% - \XyMTeXWarning{Forbidden fused position `4a' or `9'}% - \else\ifx\@tmpb\empty\relax - \else - \XyMTeXWarning{Forbidden fused position `4a' or `9'}% - \fi\fi\fi\fi - \or\or\or - \or%8 - \if\@tmpb a% - \global\@jcliptrue% - \putratom{273}{-211}{\@memberb}% % right type - \else\if\@tmpb h% - \XyMTeXWarning{Forbidden fused position `8a' or `10'}% - \else\if\@tmpb s% - \XyMTeXWarning{Forbidden fused position `8a' or `10'}% - \else\ifx\@tmpb\empty\relax - \else - \XyMTeXWarning{Forbidden fused position `8a' or `10'}% - \fi\fi\fi\fi -\or%9 (= 4a) - \ifx\@tmpb\empty% - \global\@icliptrue% - \putlatom{135}{-211}{\@memberb}% % left type - \else - \XyMTeXWarning{Forbidden fused position `4a' or `9'}% - \fi -\or%10 (= 8a) - \ifx\@tmpb\empty% - \global\@jcliptrue% - \putratom{273}{-211}{\@memberb}% % right type - \else - \XyMTeXWarning{Forbidden fused position `8a' or `10'}% - \fi -\fi\fi}% -}% end of the macro \set@vrtx@decafusehi -% \end{macrocode} -% \end{macro} -% -% The macro |\set@fusion@decahi| is an inner command contained -% in the definition of |\decaheterohi|, where -% the macro is used for setting an additive -% or a fused ring at each bond (designated by |\@@tmpa|). The -% fused ring is typeset by the inner command |\set@fusionadd@sixhi|. -% -% \begin{macro}{\set@fusion@decahi} -% \changes{v2.00}{1998/11/15}{New command: \cs{set@fusion@decahi}} -% \begin{macrocode} -\def\set@fusion@decahi{% - \let\@@tmpa=\@tmpa - \let\@@tmpb=\@tmpb - \if\@tmpa a% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixhi}% - \else\if\@tmpa A% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixhi}% - \else\if\@tmpa b% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixhi}% - \else\if\@tmpa B% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixhi}% - \else\if\@tmpa c% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixhi}% - \else\if\@tmpa C% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixhi}% - \else\if\@tmpa d% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixhi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `d'}% - \fi - \else\if\@tmpa D% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixhi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `D'}% - \fi - \else\if\@tmpa e% - \edef\@@tmpa{c}% - \put(0,-342){\set@fusionadd@sixhi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `e'}% - \fi - \else\if\@tmpa E% - \edef\@@tmpa{C}% - \put(0,-342){\set@fusionadd@sixhi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `E'}% - \fi - \else\if\@tmpa f% - \edef\@@tmpa{d}% - \put(0,-342){\set@fusionadd@sixhi}% - \else\if\@tmpa F% - \edef\@@tmpa{D}% - \put(0,-342){\set@fusionadd@sixhi}% - \else\if\@tmpa g% - \edef\@@tmpa{e}% - \put(0,-342){\set@fusionadd@sixhi}% - \else\if\@tmpa G% - \edef\@@tmpa{E}% - \put(0,-342){\set@fusionadd@sixhi}% - \else\if\@tmpa h% - \edef\@@tmpa{f}% - \put(0,-342){\set@fusionadd@sixhi}% - \else\if\@tmpa H% - \edef\@@tmpa{F}% - \put(0,-342){\set@fusionadd@sixhi}% - \else\if\@tmpa i% - \edef\@@tmpa{a}% - \put(0,-342){\set@fusionadd@sixhi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `i'}% - \fi - \else\if\@tmpa I% - \edef\@@tmpa{A}% - \put(0,-342){\set@fusionadd@sixhi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `I'}% - \fi - \else\if\@tmpa j% - \edef\@@tmpa{f}% - \put(0,0){\set@fusionadd@sixhi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `j'}% - \fi - \else\if\@tmpa J% - \edef\@@tmpa{F}% - \put(0,0){\set@fusionadd@sixhi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `J'}% - \fi - \else\if\@tmpa k% - \edef\@@tmpa{e}% - \put(0,0){\set@fusionadd@sixhi}% - \if@smallringsw\else - \XyMTeXWarning{Forbidden Fusion for bond `k'}% - \fi - \else\if\@tmpa K% - \edef\@@tmpa{E}% - \put(0,0){\set@fusionadd@sixhi}% - \if@smallringsw\else - \XyMTeXWarning{Forbidden Fusion for bond `K'}% - \fi - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@decahi -% \end{macrocode} -% \end{macro} -% -% \subsection{Short-cut commands for fused heterocycles} -% -% The macro |\decaheteroh| can be used in the -% form of a fixed |ATOMLIST|. Hence, the resulting commands for -% drawing a fused heterocyle with one or more nitrogen atoms -% have an argument |SUBSLIST| as well as an optional argument |BONDLIST|. -% -% \begin{verbatim} -% **************************************************** -% * heterocycles having two fused six-membered rings * -% * (horizontal type) * -% **************************************************** -% -% \quinolineh[BONDLIST]{SUBSLIST} -% \quinolinehi[BONDLIST]{SUBSLIST} -% \isoquinolineh[BONDLIST]{SUBSLIST} -% \isoquinolinehi[BONDLIST]{SUBSLIST} -% \quinoxalineh[BONDLIST]{SUBSLIST} -% \quinazolineh[BONDLIST]{SUBSLIST} -% \quinazolinehi[BONDLIST]{SUBSLIST} -% \cinnolineh[BONDLIST]{SUBSLIST} -% \cinnolinehi[BONDLIST]{SUBSLIST} -% \pteridineh[BONDLIST]{SUBSLIST} -% \pteridinehi[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one -% character selected from a to k, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The optiona `A' and `B' typeset aromatic circles. -% The option -% `$n+$' ($n=1$ to $10$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of bonds -% -% none or r : decahetero (right-handed) -% l : decahetero (left-handed) -% [] : fully saturated form -% a : 1,2-double bond b : 2,3-double bond -% c : 4,3-double bond d : 4,4a-double bond -% e : 4a,5-double bond f : 5,6-double bond -% g : 6,7-double bond h : 7,8-double bond -% i : 8,8a-double bond j : 1,8a-double bond -% k : 4a,8a-double bond -% A : aromatic circle B : aromatic circle -% {n+} : plus at the n-nitrogen atom (n = 1 to 10) -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 8 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% for 9 (4a position) and 10 (8a position) -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \quinolineh{2==Cl;3==F} -% \end{verbatim} -% -% \begin{macro}{\quinolineh} -% \begin{macro}{\quinolinehi} -% \begin{macrocode} -\def\quinolineh{% - \@ifnextchar[{\@quinolineh[@}{\@quinolineh[acfhk]}}% -\def\@quinolineh[#1]#2{% -\iforigpt \typeout{command `quinolineh' % - is based on `decaheteroh'.}\fi% -\decaheteroh[#1]{1==N}{#2}}% -\def\quinolinehi{% - \@ifnextchar[{\@quinolinehi[@}{\@quinolinehi[acfhk]}}% -\def\@quinolinehi[#1]#2{% -\iforigpt \typeout{command `quinolinehi' % - is based on `decaheterohi'.}\fi% -\decaheterohi[#1]{1==N}{#2}}% -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\isoquinolineh} -% \begin{macro}{\isoquinolinehi} -% \begin{macrocode} -\def\isoquinolineh{% - \@ifnextchar[{\@isoquinolineh[@}{\@isoquinolineh[acfhk]}}% -\def\@isoquinolineh[#1]#2{% -\iforigpt \typeout{command `isoquinolineh' % - is based on `decaheteroh'.}\fi% -\decaheteroh[#1]{2==N}{#2}}% -\def\isoquinolinehi{% - \@ifnextchar[{\@isoquinolinehi[@}{\@isoquinolinehi[acfhk]}}% -\def\@isoquinolinehi[#1]#2{% -\iforigpt \typeout{command `isoquinolinehi' % - is based on `decaheterohi'.}\fi% -\decaheterohi[#1]{2==N}{#2}}% -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{quinoxalineh} -% \begin{macrocode} -\def\quinoxalineh{% - \@ifnextchar[{\@quinoxalineh[@}{\@quinoxalineh[acfhk]}}% -\def\@quinoxalineh[#1]#2{% -\iforigpt \typeout{command `quinoxalineh' % - is based on `decaheteroh'.}\fi% -\decaheteroh[#1]{1==N;4==N}{#2}}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\quinazolineh} -% \begin{macro}{\quinazolinehi} -% \begin{macrocode} -\def\quinazolineh{% - \@ifnextchar[{\@quinazolineh[@}{\@quinazolineh[acfhk]}}% -\def\@quinazolineh[#1]#2{% -\iforigpt \typeout{command `quinazolineh' % - is based on `decaheteroh'.}\fi% -\decaheteroh[#1]{1==N;3==N}{#2}}% -\def\quinazolinehi{% - \@ifnextchar[{\@quinazolinehi[@}{\@quinazolinehi[acfhk]}}% -\def\@quinazolinehi[#1]#2{% -\iforigpt \typeout{command `quinazolinehi' % - is based on `decaheterohi'.}\fi% -\decaheterohi[#1]{1==N;3==N}{#2}}% -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\cinnolineh} -% \begin{macro}{\cinnolinehi} -% \begin{macrocode} -\def\cinnolineh{% - \@ifnextchar[{\@cinnolineh[@}{\@cinnolineh[acfhk]}}% -\def\@cinnolineh[#1]#2{% -\iforigpt \typeout{command `cinnolineh' % - is based on `decaheteroh'.}\fi% -\decaheteroh[#1]{1==N;2==N}{#2}}% -\def\cinnolinehi{% - \@ifnextchar[{\@cinnolinehi[@}{\@cinnolinehi[acfhk]}}% -\def\@cinnolinehi[#1]#2{% -\iforigpt \typeout{command `cinnolinehi' % - is based on `decaheterohi'.}\fi% -\decaheterohi[#1]{1==N;2==N}{#2}}% -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\pteridineh} -% \begin{macro}{\pteridinehi} -% \begin{macrocode} -\def\pteridineh{% - \@ifnextchar[{\@pteridineh[@}{\@pteridineh[acfhk]}}% -\def\@pteridineh[#1]#2{% -\iforigpt \typeout{command `pteridineh' % - is based on `decaheteroh'.}\fi% -\decaheteroh[#1]{1==N;3==N;5==N;8==N}{#2}}% -\def\pteridinehi{% - \@ifnextchar[{\@pteridinehi[@}{\@pteridinehi[acfhk]}}% -\def\@pteridinehi[#1]#2{% -\iforigpt \typeout{command `pteridinehi' % - is based on `decaheterohi'.}\fi% -\decaheterohi[#1]{1==N;3==N;5==N;8==N}{#2}}% -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \section{Six-to-five fused heterocycles} -% \subsection{Horizontal type} -% -% The standard skeleton of a six-to-five fused heterocycle is selected -% to have the following locant numbers. -% -% \begin{verbatim} -% ************************** -% * nonahetero derivatives * -% * (horizontal type) * -% ************************** -% The following numbering is adopted in this macro. -% -% 3 2 -% -% 1 (*1 origin) -% -% (8)3a 7a(9) -% -% 4 7 -% -% 5 6 -% ____ ____ -% |cf. | -% | 4 (8) | -% | * 3a | -% | 5 * * ----- 3 | -% | | | | | -% | | | | | -% | 6 * * * * 2 | -% | * 7a * | -% | 7 (9) 1 | -% | ^ | -% | | | -% | the original point | -% |____ ____| -% \end{verbatim} -% -% The macro |\nonaheteroh| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \nonaheteroh(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `j' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to j, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The options `A' and `B' represent aromatic circles in two rings. -% The option `$n+$' ($n=1$ to $9$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of bonds -% -% none or r : aromatic six-membered ring -% [] : fully saturated form -% a : 1,2-double bond b : 2,3-double bond -% c : 3,3a-double bond d : 4,3a-double bond -% e : 4,5-double bond f : 5,6-double bond -% g : 6,7-double bond h : 7,7a-double bond -% i : 1,7a-double bond -% j : 3a,4a-double bond -% J : 3a,4a-double bond in the other ring -% A : aromatic circle (six-membered) -% B : aromatic circle (five-membered) -% {n+} : plus at the n-nitrogen atom (n = 1 to 9) -% {0+} : plus (or others) at the center -% of the five-membered cycle -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 9 atoms) -% -% for n = 1 to 7 -% -% n : Hetero atom, e.g. N, O, etc. at n-position -% e.g. 1==N for N at 1-position -% na : Hetero atom at 3a or 7b (n=3 or 7) -% e.g. 3a==N (or 8==N) for N at 4a-position -% 7a==N (or 9==N) for N at 8a-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 8 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% for 8 (3a position) and 9 (7a position) -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges may be regarded as both fused and non-fused -% positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a to j; see BONDLIST) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \nonaheteroh{1==N}{1==Cl;2==F} -% \nonaheteroh[c]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% The definition of |\nonaheteroh| uses a picture environment and -% consists of the same unit processes as shown in |\sixheteroh|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by using |\setsixringh| several times in -% a restricted fashion. -% \end{enumerate} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/05}{Add: fused and spiro rings} -% -% \begin{macro}{\nonaheteroh} -% \begin{macro}{\@nona@heteroh} -% \begin{macro}{\@nona@@heteroh} -% \begin{macro}{\@nonaheteroh} -% \begin{macrocode} -\def\nonaheteroh{\@ifnextchar({\@nona@heteroh(@}{\@nona@heteroh(@)}} -\def\@nona@heteroh(#1){\@ifnextchar[{\@nona@@heteroh(#1)[@}% -{\@nona@@heteroh(#1)[@]}} -\def\@nona@@heteroh(#1)[#2]#3#4{\@ifnextchar[% -{\@nonaheteroh(#1)[#2]{#3}{#4}[@}% -{\@nonaheteroh(#1)[#2]{#3}{#4}[@]}} -\def\@nonaheteroh(#1)[#2]#3#4[#5]{% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniflag\iniatom% -\test@vertix@nonav{#3}% -% %%%%%%%%%%%%%%%%%%%%%%% -% % adjustment for (yl) % -% %%%%%%%%%%%%%%%%%%%%%%% -\@reset@ylsw% -\ylpositionh{#4}{5}{1}{5}{-1}% %substituents on 1 to 3 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\let\ddd=\eee\let\eee=\fff\let\fff=\ggg -\ylpositionh{#4}{11}{3}{7}{-1}% %substituents on 5 to 7 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{342}\fi -\else -{\let\aaa=\hhh -\ylpositionh{#4}{-3}{0}{2}{0}%%substituent on 4 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{342}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@iclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-8}{4}% %9 for 7a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-303}\def\@@yli{171}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@jclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-7}{10}% %8 for 3a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-103}\def\@@yli{171}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(1200,1200)(-400,-800)% - \iforigpt \put(-\shiftii,-\shiftiii){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `nonahetero' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shiftiii)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -\begingroup -\resetbdsw% -\@bond@@omit{#5}% -{\let\fff=\jjj \let\eee=\iii% -\set@skel@bondh{#1}{a}{c}% bond between 1 and 2 \@aaa -> \hskbondc etc -\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc -\set@skel@longbond{#1}{c}{hskbondvert}% - % bond between 3 and 3a \@ccc -> \hskbondhoriz etc -\set@skel@bondh{#1}{j}{e}% bond between 3a and 7a \@jjj -> \hskbonde etc -\set@skel@bondh{#1}{i}{d}% bond between 7a and 1 \@iii -> \hskbondd etc -}% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg - \let\ccc=\iii\let\bbb=\jjj% -\put(0,-342){\set@skel@bondh{#1}{d}{a}}% - % bond between 3a and 4 \@ddd -> \hskbonda etc -\put(0,-342){\set@skel@bondh{#1}{h}{c}}% - % bond between 7a and 7 \@hhh -> \hskbondc etc -\put(0,-342){\set@skel@bondh{#1}{g}{d}}% - % bond between 6 and 7 \@ggg -> \hskbondd etc -\put(0,-342){\set@skel@bondh{#1}{f}{e}}% - % bond between 5 and 6 \@fff -> \hskbonde etc -\put(0,-342){\set@skel@bondh{#1}{e}{f}}% - % bond between 4 and 5 \@eee -> \hskbondf etc -}% -\endgroup -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r\relax% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% - \put(0,-342){\hbondb}% bond between 3a and 7a - \put(0,-342){\hbondf}% bond between 4 and 5 - \put(0,-342){\hbondd}% bond between 6 and 7 -}% -\else \if\member l\relax% -\else \if\member a\relax% - \put(0,0){\hbondc}% bond between 3 and 4 -\else \if\member b\relax% - \put(0,0){\hbondb}% bond between 2 and 3 -\else \if\member c\relax% - \put(0,0){\hbondvert}% bond between 3 and 3a -\else \if\member d\relax% -{\let\aaa=\hhh \let\bbb=\jjj% - \put(0,-342){\hbonda}% bond between 4 and 3a -}% -\else \if\member e\relax% -{\let\aaa=\hhh \let\fff=\ggg% - \put(0,-342){\hbondf}% bond between 4 and 5 -}% -\else \if\member f\relax% -{\let\eee=\fff \let\fff=\ggg% - \put(0,-342){\hbonde}% bond between 5 and 6 -}% -\else \if\member g\relax% -{\let\ddd=\eee \let\eee=\fff% - \put(0,-342){\hbondd}% bond between 6 and 7 -}% -\else \if\member h\relax% -{\let\ccc=\iii \let\ddd=\eee% - \put(0,-342){\hbondc}% bond between 7 and 7a -}% -\else \if\member i\relax% -{\let\eee=\iii% - \put(0,0){\hbondd}% bond between 1 and 7a -}% -\else \if\member j\relax% -{\let\ccc=\iii\let\bbb=\jjj% - \put(0,-342){\hbondb}% bond between 7a and 3a -}% -\else \if\member J\relax% -{\let\eee=\iii\let\fff=\jjj% - \put(0,0){\hbonde}% bond between 7a and 3a -}% -\else \if\member B%left aromatic circle - \put(233,0){\circle{180}}% %circle (five-membered) -\else \if\member A%left aromatic circle - \put(203,-342){\circle{240}}% %circle (six-membered) -\else - \expandafter\twoCH@@R\member//% - \def\aax{3a} \def\aay{7a}% - \if\@@tmpa 1\relax% - \putratom{272}{-18}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{233}{60}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{120}{60}{\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{68}{-360}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{120}{-452}{\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putratom{233}{-452}{\@@tmpb}% % right type - \else\if\@@tmpa 7\relax% - \putratom{272}{-360}{\@@tmpb}% % right type - \else\if\@@tmpa 8\relax% - \putratom{120}{-110}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aax\relax% - \putratom{120}{-110}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aay\relax% - \putratom{233}{-110}{\@@tmpb}% % right type - \else\if\@@tmpa 9\relax% - \putratom{233}{-110}{\@@tmpb}% % right type - \else\if\@@tmpa 0\relax% - \putratom{196}{-30}{\@@tmpb}% % right type - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -% *********************** -% * setting fused rings * -% *********************** - \expandafter\twoCH@R\member//% - \set@fusion@nonah -\fi\fi\fi\fi\fi\fi\fi\fi\fi% -\fi\fi\fi\fi\fi\fi}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\iniflag -\@tmpclipfalse -\put(0,0){\set@hetatom@sixh{#3}{5}{1}{5}{-1}% - \if@aclip \global\@acliptrue\fi - \if@bclip \global\@bcliptrue\fi - \if@cclip \global\@ccliptrue\fi -}% %substituents on 1 to 3 -\put(0,-342){\set@hetatom@sixh{#3}{11}{3}{7}{-1}% - \@gclipfalse \if@fclip \global\@gcliptrue \fi% - \@fclipfalse \if@eclip \global\@fcliptrue \fi% - \@eclipfalse \if@clip \global\@ecliptrue \fi% -}%substituents on 5 to 7 -\put(0,-342){\set@hetatom@sixh{#3}{-3}{0}{2}{0}% - \@aclipfalse \if@aclip \global\@hcliptrue \fi% -}%%substituent on 4 -\put(0,0){\set@vrtx@nonafuseh{#3}% - \@tmpclipfalse - \if@iclip \global\@tmpcliptrue \fi - \if@jclip \global\@icliptrue \fi - \if@tmpclip \global\@jcliptrue \fi -}% fused positions -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents and exocyclic bonds % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\put(0,0){\setsixringh{#4}{5}{1}{5}{-1}}% %substituents on 1 to 3 -{\@clipfalse \if@eclip \@cliptrue \fi% %substituents on 5 to 7 - \@eclipfalse \if@fclip \@ecliptrue \fi% - \@fclipfalse \if@gclip \@fcliptrue \fi% -\put(0,-342){\setsixringh{#4}{11}{3}{7}{-1}}% -}% -{\@aclipfalse \if@hclip \@acliptrue \fi% %substituent on 4 -\put(0,-342){\setsixringh{#4}{-3}{0}{2}{0}}% -}% -{\@clipfusefalse \if@iclip \@clipfusetrue \fi% - \put(303,-171){\setatombond{#4}{-8}{4}}% %9 for 7a position -}% -{\@clipfusefalse \if@jclip \@clipfusetrue \fi% - \put(103,-171){\setatombond{#4}{-7}{10}}% %8 for 3a position -}% -\end{picture}\iniatom\iniflag}% %end of \nonaheteroh macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The macro |\set@vrtx@nonafuseh| is an inner command contained -% in the definition of |\nonaheteroh|, where the macro is used to set -% a hetero atom on a vertex of a bridgehead location. -% \changes{v2.00}{1998/12/05}{New command: \cs{set@vrtx@nonafuseh}} -% -% \begin{macro}{\set@vrtx@nonafuseh} -% \begin{macrocode} -\def\set@vrtx@nonafuseh#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa\or\or - \or%%%%3 - \if\@tmpb a% - \global\@icliptrue% - \putlatom{135}{-211}{\@memberb}% % left type - \else\if\@tmpb h% - \XyMTeXWarning{Forbidden fused position `3a' or `8'}% - \else\if\@tmpb s% - \XyMTeXWarning{Forbidden fused position `3a' or `8'}% - \else\ifx\@tmpb\empty\relax - \else - \XyMTeXWarning{Forbidden fused position `3a' or `8'}% - \fi\fi\fi\fi - \or\or\or - \or%7 - \if\@tmpb a% - \global\@jcliptrue% - \putratom{273}{-211}{\@memberb}% % right type - \else\if\@tmpb h% - \XyMTeXWarning{Forbidden fused position `7a' or `9'}% - \else\if\@tmpb s% - \XyMTeXWarning{Forbidden fused position `7a' or `9'}% - \else\ifx\@tmpb\empty\relax - \else - \XyMTeXWarning{Forbidden fused position `7a' or `9'}% - \fi\fi\fi\fi -\or%8 (= 3a) - \ifx\@tmpb\empty% - \global\@icliptrue% - \putlatom{135}{-211}{\@memberb}% % left type - \else - \XyMTeXWarning{Forbidden fused position `3a' or `8'}% - \fi -\or%9 (= 7a) - \ifx\@tmpb\empty% - \global\@jcliptrue% - \putratom{273}{-211}{\@memberb}% % right type - \else - \XyMTeXWarning{Forbidden fused position `7a' or `9'}% - \fi -\fi\fi}% -}% end of the macro \set@vrtx@nonafuseh -% \end{macrocode} -% \end{macro} -% -% \subsection{Inverse horizontal type} -% -% The standard skeleton of a six-to-five fused heterocycle is selected -% to have the following locant numbers. -% -% \begin{verbatim} -% ************************************ -% * nonahetero derivatives * -% * (horizontal type, inverse type) * -% ************************************ -% The following numbering is adopted in this macro. -% -% -% 2 3 -% -% 1 -% -% (9)7a 3a(8) -% -% 7 4 -% -% 6 5 -% ____ ____ -% |cf. | -% | 7 (9) 1 | -% | * 7a * | -% | 6 * * * * 2 | -% | | | | | -% | | | | | -% | 5 * * ----- 3 | -% | * 3a | -% | 4 (8) | -% | ^ | -% | | | -% | the original point | -% |____ ____| -% \end{verbatim} -% -% The macro |\nonaheterohi| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \nonaheterohi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `j' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to j, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The options `A' and `B' represent aromatic circles in two rings. -% The option `$n+$' ($n=1$ to $9$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% -% BONDLIST: list of bonds -% -% none or r : aromatic six-membered ring -% [] : fully saturated form -% a : 1,2-double bond b : 2,3-double bond -% c : 3,3a-double bond d : 4,3a-double bond -% e : 4,5-double bond f : 5,6-double bond -% g : 6,7-double bond h : 7,7a-double bond -% i : 1,7a-double bond -% j : 3a,4a-double bond -% J : 3a,4a-double bond in the other ring -% A : aromatic circle (six-membered) -% B : aromatic circle (five-membered) -% {n+} : plus at the n-nitrogen atom (n = 1 to 9) -% {0+} : plus (or others) at the center -% of the five-membered cycle -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 9 atoms) -% -% for n = 1 to 7 -% -% n : Hetero atom, e.g. N, O, etc. at n-position -% e.g. 1==N for N at 1-position -% na : Hetero atom at 3a or 7b (n=3 or 7) -% e.g. 3a==N (or 8==N) for N at 4a-position -% 7a==N (or 9==N) for N at 8a-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 8 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% for 8 (3a position) and 9 (7a position) -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges may be regarded as both fused and non-fused -% positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a to j; see BONDLIST) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \nonaheterohi{1==N}{1==Cl;2==F} -% \nonaheterohi[c]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% The definition of |\nonaheterohi| uses a picture environment and -% consists of the same unit processes as shown in |\sixheteroh|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by using |\setsixringh| several times in -% a restricted fashion. -% \end{enumerate} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/05}{Add: fused and spiro rings} -% -% \begin{macro}{\nonaheterohi} -% \begin{macro}{\@nona@heterohi} -% \begin{macro}{\@nona@@heterohi} -% \begin{macro}{\@nonaheterohi} -% \begin{macrocode} -\def\nonaheterohi{\@ifnextchar({\@nona@heterohi(@}{\@nona@heterohi(@)}} -\def\@nona@heterohi(#1){\@ifnextchar[{\@nona@@heterohi(#1)[@}% -{\@nona@@heterohi(#1)[@]}} -\def\@nona@@heterohi(#1)[#2]#3#4{\@ifnextchar[% -{\@nonaheterohi(#1)[#2]{#3}{#4}[@}% -{\@nonaheterohi(#1)[#2]{#3}{#4}[@]}} -\def\@nonaheterohi(#1)[#2]#3#4[#5]{% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniflag\iniatom%initialize -\test@vertix@nonavi{#3}% -% %%%%%%%%%%%%%%%%%%%%%%% -% % adjustment for (yl) % -% %%%%%%%%%%%%%%%%%%%%%%% -\@reset@ylsw% -\ylpositionh{#4}{0}{0}{4}{0}% %substituents on 1 to 3 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\let\ddd=\eee\let\eee=\fff\let\fff=\ggg -\ylpositionh{#4}{0}{3}{7}{0}%%substituents on 4 to 6 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{342}\fi -\else -{\let\aaa=\hhh -\ylpositionh{#4}{-6}{0}{2}{0}%%substituent on 7 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{342}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@iclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-7}{4}% %8 for 3a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-303}\def\@@yli{171}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@jclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-8}{10}%%9 for 7a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-103}\def\@@yli{171}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(1200,1200)(-400,-800)% - \iforigpt \put(-\shiftii,-\shiftiii){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `nonaheterohi' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shiftiii)}\fi% -\fi -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -\begingroup -\resetbdsw% -\@bond@@omit{#5}% -{\let\fff=\jjj \let\eee=\iii% -\set@skel@bondh{#1}{a}{a}% bond between 1 and 2 \@aaa -> \hskbonda etc -\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc -\set@skel@longbond{#1}{c}{hskbondverti}% - % bond between 3 and 3a \@ccc -> \hskbondverti etc -\set@skel@bondh{#1}{j}{e}% bond between 3a and 7a \@jjj -> \hskbonde etc -\set@skel@bondh{#1}{i}{f}% bond between 7a and 1 \@iii -> \hskbondf etc -}% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% -\put(0,-342){\set@skel@bondh{#1}{h}{a}}% - % bond between 7a and 7 \@hhh -> \hskbonda etc -\put(0,-342){\set@skel@bondh{#1}{d}{c}}% - % bond between 3a and 4 \@ddd -> \hskbondc etc -\put(0,-342){\set@skel@bondh{#1}{e}{d}}% - % bond between 4 and 5 \@eee -> \hskbondd etc -\put(0,-342){\set@skel@bondh{#1}{f}{e}}% - % bond between 5 and 6 \@fff -> \hskbonde etc -\put(0,-342){\set@skel@bondh{#1}{g}{f}}% - % bond between 6 and 7 \@ggg -> \hskbondf etc -}% -\endgroup -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r\relax% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% - \put(0,-342){\hbondb}% bond between 3a and 7a - \put(0,-342){\hbondf}% bond between 6 and 7 - \put(0,-342){\hbondd}% bond between 4 and 5 -}% -\else \if\member l\relax% -\else \if\member a\relax% - \put(0,0){\hbonda}% bond between 1 and 2 -\else \if\member b\relax% - \put(0,0){\hbondb}% bond between 2 and 3 -\else \if\member c\relax% - \put(0,0){\hbondverti}% bond between 3 and 3a -\else \if\member d\relax% -{\let\ccc=\iii \let\ddd=\eee% - \put(0,-342){\hbondc}% bond between 4 and 3a -}% -\else \if\member e\relax% -{\let\ddd=\eee\let\eee=\fff% - \put(0,-342){\hbondd}% bond between 4 and 5 -}% -\else \if\member f\relax% -{\let\eee=\fff \let\fff=\ggg% - \put(0,-342){\hbonde}% bond between 5 and 6 -}% -\else \if\member g\relax% -{\let\aaa=\hhh \let\fff=\ggg% - \put(0,-342){\hbondf}% bond between 7 and 6 -}% -\else \if\member h\relax% -{\let\aaa=\hhh \let\bbb=\jjj% - \put(0,-342){\hbonda}% bond between 7 and 7a -}% -\else \if\member i\relax% -{\let\fff=\jjj% - \put(0,0){\hbondf}% bond between 1 and 7a -}% -\else \if\member j\relax% -{\let\ccc=\iii\let\bbb=\jjj% - \put(0,-342){\hbondb}% bond between 7a and 3a -}% -\else \if\member J\relax% -{\let\eee=\iii\let\fff=\jjj% - \put(0,0){\hbonde}% bond between 7a and 3a -}% -\else \if\member B%aromatic circle - \put(173,0){\circle{180}}% %circle (five-membered) -\else \if\member A%aromatic circle - \put(203,-342){\circle{240}}% %circle (six-membered) -\else - \expandafter\twoCH@@R\member//% - \def\aax{7a} \def\aay{3a}% - \if\@@tmpa 1\relax% - \putratom{68}{-18}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{233}{60}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{120}{60}{\@@tmpb}% % right type - \else\if\@@tmpa 7\relax% - \putratom{68}{-360}{\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putratom{120}{-452}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{233}{-452}{\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{272}{-360}{\@@tmpb}% % right type - \else\if\@@tmpa 9\relax% - \putratom{120}{-110}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aax\relax% - \putratom{120}{-110}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aay\relax% - \putratom{233}{-110}{\@@tmpb}% % right type - \else\if\@@tmpa 8\relax% - \putratom{233}{-110}{\@@tmpb}% % right type - \else\if\@@tmpa 0\relax% - \putratom{140}{-30}{\@@tmpb}% % right type - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -% *********************** -% * setting fused rings * -% *********************** - \expandafter\twoCH@R\member//% - \set@fusion@nonahi -\fi\fi\fi\fi\fi\fi\fi\fi\fi% -\fi\fi\fi\fi\fi\fi}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\iniflag -\put(0,0){\set@hetatom@sixh{#3}{0}{0}{4}{0}% - \if@aclip \global\@acliptrue\fi - \if@bclip \global\@bcliptrue\fi - \if@cclip \global\@ccliptrue\fi -}% %substituents on 1 to 3 -\put(0,-342){\set@hetatom@sixh{#3}{0}{3}{7}{0}% - \@gclipfalse \if@fclip \global\@gcliptrue \fi% - \@fclipfalse \if@eclip \global\@fcliptrue \fi% - \@eclipfalse \if@clip \global\@ecliptrue \fi}%substituents on 4 to 6 -\put(0,-342){\set@hetatom@sixh{#3}{-6}{0}{2}{0}% - \@hclipfalse \if@aclip \global\@hcliptrue \fi}%%substituent on 7 -\put(0,0){\set@vrtx@nonafusehi{#3}% - \if@iclip \global\@icliptrue \fi - \if@jclip \global\@jcliptrue \fi}% fused positions -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents and exocyclic bonds % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\put(0,0){\setsixringh{#4}{0}{0}{4}{0}}% %substituents on 1 to 3 -{\@clipfalse \if@eclip \@cliptrue \fi% %substituents on 4 to 6 - \@eclipfalse \if@fclip \@ecliptrue \fi% - \@fclipfalse \if@gclip \@fcliptrue \fi% -\put(0,-342){\setsixringh{#4}{0}{3}{7}{0}}% -}% -{\@aclipfalse \if@hclip \@acliptrue \fi% %substituent on 7 -\put(0,-342){\setsixringh{#4}{-6}{0}{2}{0}}% -}% -{\@clipfusefalse \if@iclip \@clipfusetrue \fi% - \put(303,-171){\setatombond{#4}{-7}{4}}% %8 for 3a position -}% -{\@clipfusefalse \if@jclip \@clipfusetrue \fi% - \put(103,-171){\setatombond{#4}{-8}{10}}%%9 for 7a position -}% -\end{picture}\iniatom\iniflag}% %end of \nonaheterohi macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The command |\set@vrtx@nonafusehi| is to set an atom (stored as -% |\@memberb|) at one (stored as |\@tmpa|) of the fused vertices -% of a six-five ring. -% These vertices are incapable of accomodating a spiro group. -% On the other hand, the other positions can take spiro groups -% (stored as |\@memberb|), which are treated by means of -% the command |\set@hetatom@sixh|. -% The command |\set@vrtx@nonafusehi| is used in such commands -% as |\nonaheterohi| for treating thier ATOMLISTs, -% -% \begin{macro}{\set@vrtx@nonafusehi} -% \changes{v2.00}{1998/12/5}{New command: \cs{set@vrtx@nonafusehi}} -% \begin{macrocode} -\def\set@vrtx@nonafusehi#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoCH@R\@membera//% -\ifcase\@tmpa% - \or - \or - \or%%%%3 - \if\@tmpb a% - \global\@icliptrue% - \putratom{273}{-211}{\@memberb}% % right type - \else\relax - \fi - \or%4 - \or%5 - \or%6 - \or%7 - \if\@tmpb a% - \global\@jcliptrue% - \putlatom{135}{-211}{\@memberb}% % left type - \else\relax - \fi -\or%8 (= 3a) - \ifx\@tmpb\empty - \global\@icliptrue% - \putratom{273}{-211}{\@memberb}% % right type - \else - \XyMTeXWarning{Forbidden spiro ring for the 3a position}% - \fi -\or%9 (= 7a) - \ifx\@tmpb\empty - \global\@jcliptrue% - \putlatom{135}{-211}{\@memberb}% % left type - \else - \XyMTeXWarning{Forbidden spiro ring for the 7a position}% - \fi -\fi\fi}% -}% end of the macro \set@vrtx@nonafusehi -% \end{macrocode} -% \end{macro} -% -% \subsection{Short-cut commands for fused heterocycles} -% -% The macros |\nonaheteroh| and |\nonaheterohi| can be used in the -% form of a fixed |ATOMLIST|. Hence, the resulting commands for -% drawing a fused heterocyle with one or more nitrogen atoms -% have an argument |SUBSLIST| as well as an optional argument |BONDLIST|. -% -% \begin{verbatim} -% ********************************************************** -% * heterocycles having fused six- and five-membered rings * -% * (horizontal type) * -% ********************************************************** -% -% N-heterocycles: -% -% \indoleh[BONDLIST]{SUBSLIST} -% \indolehi[BONDLIST]{SUBSLIST} -% -% \isoindoleh[BONDLIST]{SUBSLIST} -% \isoindolehi[BONDLIST]{SUBSLIST} -% -% \indolizineh[BONDLIST]{SUBSLIST} -% \indolizinehi[BONDLIST]{SUBSLIST} -% (different from the IUPAC numbering) -% -% \purineh[BONDLIST]{SUBSLIST} -% \purinehi[BONDLIST]{SUBSLIST} -% (different from the IUPAC numbering) -% -% O-heterocycles: -% -% \benzofuraneh[BONDLIST]{SUBSLIST} -% \benzofuranehi[BONDLIST]{SUBSLIST} -% -% \isobenzofuranehi[BONDLIST]{SUBSLIST} -% -% \benzoxazoleh[BONDLIST]{SUBSLIST} -% \benzoxazolehi[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one -% character selected from a to j, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The optiona `A' typesets an aromatic circle. -% The option -% `$n+$' ($n=1$ to $9$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of bonds -% -% none or r : aromatic six-membered ring -% [] : fully saturated form -% a : 1,2-double bond b : 2,3-double bond -% c : 3,3a-double bond d : 4,3a-double bond -% e : 4,5-double bond f : 5,6-double bond -% g : 6,7-double bond h : 7,7a-double bond -% i : 1,7a-double bond -% j : 3a,4a-double bond -% J : 3a,4a-double bond in the other ring -% A : aromatic circle -% {n+} : plus at the n-nitrogen atom (n = 1 to 9) -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 8 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% -% for 8 (3a position) and 9 (7a position) -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \indoleh{1==N}{1==Cl;2==F} -% \indoleh[c]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% \begin{macro}{\purineh} -% \begin{macro}{\purinehi} -% \begin{macrocode} -\def\purineh{\@ifnextchar[{\@purineh[@}{\@purineh[ra]}}% -\def\@purineh[#1]#2{% -\iforigpt \typeout{command `purineh' % - is based on `nonaheteroh'.}\fi% -\nonaheteroh[#1]{1==N;3==N;5==N;7==N}{#2}}% -\def\purinehi{\@ifnextchar[{\@purinehi[@}{\@purinehi[ra]}}% -\def\@purinehi[#1]#2{% -\iforigpt \typeout{command `purinehi' % - is based on `nonaheterohi'.}\fi% -\nonaheterohi[#1]{1==N;3==N;5==N;7==N}{#2}}% -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\indoleh} -% \begin{macro}{\indolehi} -% \begin{macrocode} -\def\indoleh{\@ifnextchar[{\@indoleh[@}{\@indoleh[rb]}}% -\def\@indoleh[#1]#2{% -\iforigpt \typeout{command `indoleh' % - is based on `nonaheteroh'.}\fi% -\nonaheteroh[#1]{1==N}{#2}}% -\def\indolehi{\@ifnextchar[{\@indolehi[@}{\@indolehi[rb]}}% -\def\@indolehi[#1]#2{% -\iforigpt \typeout{command `indolehi' % - is based on `nonaheterohi'.}\fi% -\nonaheterohi[#1]{1==N}{#2}}% -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\indolizineh} -% \begin{macro}{\indolizinehi} -% \begin{macrocode} -\def\indolizineh{% - \@ifnextchar[{\@indolizineh[@}{\@indolizineh[aceg]}}% -\def\@indolizineh[#1]#2{% -\iforigpt \typeout{command `indolizineh' % - is based on `nonaheteroh'.}\fi% -\nonaheteroh[#1]{7a==N}{#2}}% -\def\indolizinehi{% - \@ifnextchar[{\@indolizinehi[@}{\@indolizinehi[aceg]}}% -\def\@indolizinehi[#1]#2{% -\iforigpt \typeout{command `indolizinehi' % - is based on `nonaheterohi'.}\fi% -\nonaheterohi[#1]{7a==N}{#2}}% -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\isoindoleh} -% \begin{macro}{\isoindolehi} -% \begin{macrocode} -\def\isoindoleh{% - \@ifnextchar[{\@isoindoleh[@}{\@isoindoleh[cegi]}}% -\def\@isoindoleh[#1]#2{% -\iforigpt \typeout{command `isoindoleh' % - is based on `nonaheteroh'.}\fi% -\nonaheteroh[#1]{2==N}{#2}}% -\def\isoindolehi{% - \@ifnextchar[{\@isoindolehi[@}{\@isoindolehi[cegi]}}% -\def\@isoindolehi[#1]#2{% -\iforigpt \typeout{command `isoindolehi' % - is based on `nonaheterohi'.}\fi% -\nonaheterohi[#1]{2==N}{#2}}% -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\benzofuraneh} -% \begin{macro}{\benzofuranehi} -% \begin{macrocode} -\def\benzofuraneh{% - \@ifnextchar[{\@benzofuraneh[@}{\@benzofuraneh[rb]}}% -\def\@benzofuraneh[#1]#2{% -\iforigpt \typeout{command `benzofuraneh' % - is based on `nonaheteroh'.}\fi% -\nonaheteroh[#1]{1==O}{#2}}% -\def\benzofuranehi{% - \@ifnextchar[{\@benzofuranehi[@}{\@benzofuranehi[rb]}}% -\def\@benzofuranehi[#1]#2{% -\iforigpt \typeout{command `benzofuranehi' % - is based on `nonaheterohi'.}\fi% -\nonaheterohi[#1]{1==O}{#2}}% -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\isobenzofuraneh} -% \begin{macro}{\isobenzofuranehi} -% \begin{macrocode} -\def\isobenzofuraneh{\@ifnextchar[{\@isobenzofuraneh[@}% - {\@isobenzofuraneh[cegi]}}% -\def\@isobenzofuraneh[#1]#2{% -\iforigpt \typeout{command `isobenzofuraneh' % - is based on `nonaheteroh'.}\fi% -\nonaheteroh[#1]{2==O}{#2}}% -\def\isobenzofuranehi{\@ifnextchar[{\@isobenzofuranehi[@}% - {\@isobenzofuranehi[cegi]}}% -\def\@isobenzofuranehi[#1]#2{% -\iforigpt \typeout{command `isobenzofuranehi' % - is based on `nonaheterohi'.}\fi% -\nonaheterohi[#1]{2==O}{#2}}% -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\benzoxazoleh} -% \begin{macro}{\benzoxazolehi} -% \begin{macrocode} -\def\benzoxazoleh{% - \@ifnextchar[{\@benzoxazoleh[@}{\@benzoxazoleh[rb]}}% -\def\@benzoxazoleh[#1]#2{% -\iforigpt \typeout{command `benzoxazoleh' % - is based on `nonaheteroh'.}\fi% -\nonaheteroh[#1]{1==O;3==N}{#2}}% -\def\benzoxazolehi{% - \@ifnextchar[{\@benzoxazolehi[@}{\@benzoxazolehi[rb]}}% -\def\@benzoxazolehi[#1]#2{% -\iforigpt \typeout{command `benzoxazolehi' % - is based on `nonaheterohi'.}\fi% -\nonaheterohi[#1]{1==O;3==N}{#2}}% -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \section{Building blocks} -% \subsection{Six-membered ring unit} -% -% The old function (v1.01) of |\sixunitv| as a fusing ring unit -% is succeeded by |\sixfusev| and |\sixfusevi|. -% The command |\sixunitv| has been changed into a subsidiary -% command of |\sixheterov| (v2.00). -% -% The macro |\sixunith| is a six-membered fragment that can be -% fused to another -% ring structure to produce a new ring system. The following -% numbering is adopted in this macro. -% -% \begin{verbatim} -% ********************** -% * six-membered unit * -% * (horizontal type) * -% ********************** -% b -% 2 3 -% a ----- c -% * * -% the original point ===> 1 * * 4 -% (0,0) * * d -% f ----- -% 6 5 -% e -% \end{verbatim} -% -% The macro |\sixunith| has three arguments |ATOMLIST|, |SUBSLIST| -% and |OMIT| -% as well as an optional argument |BONDLIST|. -% -% \begin{verbatim} -% \sixunith[BONDLIST]{ATOMLIST}{SUBSLIST}{OMIT} -% \end{verbatim} -% -% The |BONDLIST| argument contains one -% character selected from a to f, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `$n+$' ($n=1$ to $6$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST = -% -% none : fully saturated -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,6-double bond -% f : 6,1-double bond -% {n+} : plus at the n-nitrogen atom (n = 1 to 6) -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 6 atoms) -% -% for n = 1 to 6 -% -% n : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 6 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |OMIT| represents one bond to be omitted. -% The omitted edge is regarded as a fused position. -% -% \begin{verbatim} -% OMIT: one bond omitted (a, b, c, d, e, or f) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \sixhunitv{1==N}{1==Cl;2==F}{e} -% \end{verbatim} -% -% The definition of |\sixunith| uses a picture environment and -% consists of the same unit processes as shown in |\sixheteroh|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by using |\setsixringh|. -% \end{enumerate} -% -% \begin{macro}{\sixunith} -% \begin{macro}{\@sixunith} -% \begin{macrocode} -\def\sixunith{\@ifnextchar[{\@sixunith[@}{\@sixunith[@]}} -\def\@sixunith[#1]#2#3#4{\sixheteroh[#1]{#2}{#3}[#4]} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{verbatim} -% (Old difinition) -% % \begin{macro}{\sixunith} -% % \begin{macro}{\@sixunith} -% % \begin{macrocode} -% \def\sixunith{\@ifnextchar[{\@sixunith}{\@sixunith[r]}} -% \def\@sixunith[#1]#2#3#4{% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%%%%%%%%%% -% % % treatment of atom list % -% % %%%%%%%%%%%%%%%%%%%%%%%%%% -% \iniatom\iniflag%initialize% -% \@forsemicol\member:=#2\do{% -% \expandafter\@m@mb@r\member;\relax% -% \expandafter\twoch@r\@membera{}% -% \ifcase\@tmpa% -% \or \xdef\aaa{\@memberb}% -% \or \xdef\bbb{\@memberb}% -% \or \xdef\ccc{\@memberb}% -% \or \xdef\ddd{\@memberb}% -% \or \xdef\eee{\@memberb}% -% \or \xdef\fff{\@memberb}% -% \fi}% -% \begin{picture}(800,880)(-240,-400)% -% \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}% -% \put(-\noshift,-\noshift){\circle{50}}% -% \typeout{command `sixunith' origin: % -% (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%% -% % % outer skeleton % -% % %%%%%%%%%%%%%%%%%% -% % changed OMIT into a list 1993/11/21 by Shinsaku Fujita -% {\resetbdsw% -% \@tfor\memBer:=#4\do{% -% \if\memBer a\relax\gdef\@aaa{}\fi% -% \if\memBer b\relax\gdef\@bbb{}\fi% -% \if\memBer c\relax\gdef\@ccc{}\fi% -% \if\memBer d\relax\gdef\@ddd{}\fi% -% \if\memBer e\relax\gdef\@eee{}\fi% -% \if\memBer f\relax\gdef\@fff{}\fi% -% }% -% \if\@aaa a\relax\hskbonda\fi% bond between 1 and 2 -% \if\@bbb b\relax\hskbondb\fi% bond between 2 and 3 -% \if\@ccc c\relax\hskbondc\fi% bond between 3 and 4 -% \if\@ddd d\relax\hskbondd\fi% bond between 4 and 5 -% \if\@eee e\relax\hskbonde\fi% bond between 5 and 6 -% \if\@fff f\relax\hskbondf\fi% bond between 6 and 1 -% }% -% %\ifx#4a\relax \else% -% % \hskbonda% bond between 1 and 2 -% %\fi% -% %\ifx#4f\relax \else% -% % \hskbondf% bond between 1 and 6 -% %\fi% -% %\ifx#4c\relax \else% -% % \hskbondc% bond between 4 and 3 -% %\fi% -% %\ifx#4d\relax \else% -% % \hskbondd% bond between 4 and 5 -% %\fi% -% %\ifx#4b\relax \else% -% % \hskbondb% bond between 3 and 2 -% %\fi% -% %\ifx#4e\relax \else% -% % \hskbonde% bond between 5 and 6 -% %\fi% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%%%%% -% % % inner double bond % -% % %%%%%%%%%%%%%%%%%%%%% -% \@tfor\member:=#1\do{% -% \if\member r\relax% -% \else \if\member l\relax% -% \else \if\member a\relax% -% \ifx#4a\relax \else% -% \hbonda% -% \fi% -% \else \if\member b\relax% -% \ifx#4b\relax \else% -% \hbondb% -% \fi% -% \else \if\member c\relax% -% \ifx#4c\relax \else% -% \hbondc% -% \fi% -% \else \if\member d\relax% -% \ifx#4d\relax \else% -% \hbondd% -% \fi% -% \else \if\member e\relax% -% \ifx#4e\relax \else% -% \hbonde% -% \fi% -% \else \if\member f\relax% -% \ifx#4f\relax \else% -% \hbondf% -% \fi% -% \else \if\member A%left aromatic circle -% \put(203,0){\circle{240}}% %circle -% \else \expandafter\twoch@@r\member{}{}% -% \if\@@tmpa 4\relax% -% \putratom{272}{-18}{\@@tmpb}% % right type -% \else\if\@@tmpa 1\relax% -% \putratom{68}{-18}{\@@tmpb}% % right type -% \else\if\@@tmpa 3\relax -% \putratom{233}{60}{\@@tmpb}% % right type -% \else\if\@@tmpa 2\relax% -% \putratom{120}{60}{\@@tmpb}% % right type -% \else\if\@@tmpa 5\relax% -% \putratom{233}{-110}{\@@tmpb}% % right type -% \else\if\@@tmpa 6\relax% -% \putratom{120}{-110}{\@@tmpb}% % right type -% \fi\fi\fi\fi\fi\fi% -% \fi\fi\fi\fi\fi\fi\fi\fi\fi}% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%%%%%%%% -% % % setting hetero atoms % -% % %%%%%%%%%%%%%%%%%%%%%%%% -% \ifx\ddd\empty\else% -% \@cliptrue% -% \putratom{346}{-36}{\ddd}% % right type -% \fi% -% \ifx\aaa\empty\else% -% \@acliptrue% -% \putlatom{60}{-36}{\aaa}% % left type -% \fi% -% \ifx\bbb\empty\else% -% \@bcliptrue% -% \putlatom{135}{141}{\bbb}% % left type -% \fi% -% \ifx\ccc\empty\else% -% \@ccliptrue% -% \putratom{273}{141}{\ccc}% % right type -% \fi% -% \ifx\fff\empty\else% -% \@fcliptrue% -% \putlatom{135}{-211}{\fff}% % left type -% \fi% -% \ifx\eee\empty\else% -% \@ecliptrue% -% \putratom{273}{-211}{\eee}% % right type -% \fi% -% \setsixringh{#3}{0}{0}{7}{0}% -% \end{picture}\iniatom\iniflag}% %end of \sixunith macro -% % \end{macrocode} -% % \end{macro} -% % \end{macro} -% \end{verbatim} -% -% \subsection{Five-membered ring unit} -% \subsubsection{Horizonatl type} -% -% The old function (v1.01) of |\fiveunith| as a fusing ring unit -% is succeeded by |\fivefuseh|. -% The command |\fiveunith| has been changed into a subsidiary -% command of |\fiveheteroh| (v2.00). -% -% The macro |\fiveunith| is a five-membered fragment that can be -% fused to another -% ring structure to produce a new ring system. The following -% numbering is adopted in this macro. -% -% \begin{verbatim} -% ********************** -% * five-membered unit * -% * (horizontal type) * -% ********************** -% -% 3 _____ 2 -% | * -% | * 1 <===== the original point -% | * -% 4 ----- 5 -% \end{verbatim} -% -% The macro |\fiveunith| has three arguments |ATOMLIST|, |SUBSLIST| -% and |OMIT| -% as well as an optional argument |BONDLIST|. -% -% \begin{verbatim} -% \fiveunith[BONDLIST]{ATOMLIST}{SUBSLIST}{OMIT} -% \end{verbatim} -% -% The |BONDLIST| argument contains one -% character selected from a to e, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of inner double bonds -% -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,1-double bond -% A : aromatic circle -% {n+} : plus at the n-nitrogen atom (n = 1 to 5) -% {0+} : plus (or others) at the center -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 5 atoms) -% -% for n = 1 to 5 -% -% n : Hetero atom, e.g. N, O, etc. at n-position -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 5 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |OMIT| represents one bond to be omitted. -% The omitted edge is regarded as a fused position. -% -% \begin{verbatim} -% OMIT: one bond omitted (a, b, c, d, e, or f) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \fiveunith{1==N}{1==H;2==F}{a} -% \end{verbatim} -% -% The definition of |\fiveunith| uses a picture environment and -% consists of the same unit processes as shown in |\sixheteroh|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by using |\setsixringh| partially. -% \end{enumerate} -% -% \begin{macro}{\fiveunith} -% \begin{macro}{\@fiveunith} -% \begin{macrocode} -\def\fiveunith{\@ifnextchar[{\@fiveunith[@}{\@fiveunith[r]}} -\def\@fiveunith[#1]#2#3#4{\fiveheteroh[#1]{#2}{#3}[#4]} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{verbatim} -% (Old definition) -% % \begin{macro}{\fiveunith} -% % \begin{macro}{\@fiveunith} -% % \begin{macrocode} -% \def\fiveunith{\@ifnextchar[{\@fiveunith}{\@fiveunith[r]}} -% \def\@fiveunith[#1]#2#3#4{% -% \iniatom\iniflag%initialize -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%%%%%%%%%% -% % % treatment of atom list % -% % %%%%%%%%%%%%%%%%%%%%%%%%%% -% %\def\aaa{}\def\bbb{}\def\ccc{}\def\ddd{}\def\eee{}\def\fff{}% -% \@forsemicol\member:=#2\do{% -% \expandafter\@m@mb@r\member;\relax% -% \expandafter\twoch@r\@membera{}% -% \ifcase\@tmpa% -% \or \xdef\ddd{\@memberb}% -% \or \xdef\ccc{\@memberb}% -% \or \xdef\bbb{\@memberb}% -% \or \xdef\fff{\@memberb}% -% \or \xdef\eee{\@memberb}% -% \fi}% -% \begin{picture}(800,880)(-240,-400)% -% \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}% -% \put(-\noshift,-\noshift){\circle{50}}% -% \typeout{command `fiveunith' origin: % -% (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%% -% % % outer skeleton % -% % %%%%%%%%%%%%%%%%%% -% % changed OMIT to a list 1993/11/21 by Shinsaku Fujita -% {\resetbdsw% -% \@tfor\memBer:=#4\do{% -% \if\memBer a\relax\gdef\@aaa{}\fi% -% \if\memBer b\relax\gdef\@bbb{}\fi% -% \if\memBer c\relax\gdef\@ccc{}\fi% -% \if\memBer d\relax\gdef\@ddd{}\fi% -% \if\memBer e\relax\gdef\@eee{}\fi% -% %\if\memBer f\relax\gdef\@fff{}\fi% -% }% -% \if\@aaa a\relax\hskbondc\fi% bond between 1 and 2 -% \if\@bbb b\relax\hskbondb\fi% bond between 2 and 3 -% \if\@ccc c\relax\hskbondvert\fi% bond between 3 and 4 -% \if\@ddd d\relax\hskbonde\fi% bond between 4 and 5 -% \if\@eee e\relax\hskbondd\fi% bond between 5 and 6 -% %\if\@fff f\relax\hskbondf\fi% bond between 6 and 1 -% }% -% % old -% %\ifx#4a\relax\else% -% % \hskbondc%bond between 1 and 2 -% %\fi% -% %\ifx#4e\relax\else% -% % \hskbondd%bond between 1 and 5 -% %\fi% -% %\ifx#4b\relax\else% -% % \hskbondb%bond between 2 to 3 -% %\fi% -% %\ifx#4d\relax\else% -% % \hskbonde%bond between 5 and 4 -% %\fi% -% %\ifx#4c\relax\else% -% % \hskbondvert%bond between 4 and 3 -% %\fi% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%%%%% -% % % inner double bond % -% % %%%%%%%%%%%%%%%%%%%%% -% \@tfor\member:=#1\do{% -% \if\member r% -% \else \if\member a\relax% -% \ifx#4a\relax\else% -% \hbondc% -% \fi% -% \else \if\member b\relax% -% \ifx#4b\relax\else% -% \hbondb% -% \fi% -% \else \if\member c\relax% -% \ifx#4c\relax\else% -% \hbondvert% -% \fi% -% \else \if\member d\relax% -% \ifx#4d\relax\else% -% \hbonde% -% \fi% -% \else \if\member e\relax% -% \ifx#4e\relax\else% -% \hbondd% -% \fi% -% \else \if\member A%left aromatic circle -% \put(233,0){\circle{180}}% %circle -% \else \expandafter\twoch@@r\member{}{}% -% \if\@@tmpa 1\relax% -% \putratom{272}{-18}{\@@tmpb}% % right type -% \else\if\@@tmpa 2\relax% -% \putratom{233}{60}{\@@tmpb}% % right type -% \else\if\@@tmpa 3\relax% -% \putratom{120}{60}{\@@tmpb}% % right type -% \else\if\@@tmpa 5\relax% -% \putratom{233}{-110}{\@@tmpb}% % right type -% \else\if\@@tmpa 4\relax% -% \putratom{120}{-110}{\@@tmpb}% % right type -% \else\if\@@tmpa 0\relax% -% \putratom{196}{-30}{\@@tmpb}% % right type -% \fi\fi\fi\fi\fi\fi% -% \fi\fi\fi\fi\fi\fi\fi}% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%%%%%%% -% % % setting heteroatoms % -% % %%%%%%%%%%%%%%%%%%%%%%% -% \ifx\ddd\empty\else% -% \@cliptrue% -% \putratom{346}{-36}{\ddd}% % right type -% \fi% -% \ifx\bbb\empty\else% -% \@bcliptrue% -% \putlatom{135}{141}{\bbb}% % left type -% \fi% -% \ifx\ccc\empty\else% -% \@ccliptrue% -% \putratom{273}{141}{\ccc}% % right type -% \fi% -% \ifx\fff\empty\else% -% \@fcliptrue% -% \putlatom{135}{-211}{\fff}% % left type -% \fi% -% \ifx\eee\empty\else% -% \@ecliptrue% -% \putratom{273}{-211}{\eee}% % right type -% \fi% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%%%%%%%% -% % % setting substituents % -% % %%%%%%%%%%%%%%%%%%%%%%%% -% \setsixringh{#3}{5}{1}{5}{-1}% % for 1 to 3 -% \setsixringh{#3}{10}{4}{7}{-1}% % for 4 to 5 -% \end{picture}\iniatom\iniflag}% %end of \fiveunith macro -% % \end{macrocode} -% % \end{macro} -% % \end{macro} -% \end{verbatim} -% -% \subsubsection{Inverse horizontal type} -% -% The old function (v1.01) of |\fiveunithi| as a fusing ring unit -% is succeeded by |\fivefusehi|. -% The command |\fiveunithi| has been changed into a subsidiary -% command of |\fiveheterohi| (v2.00). -% -% The macro |\fiveunithi| typesets a five-membered fragment that can be -% fused to another -% ring structure to produce a new ring system. The following -% numbering is adopted in this macro. -% -% \begin{verbatim} -% ************************************ -% * five-membered unit * -% * (horizontal type, inverse type) * -% ************************************ -% -% 2 ----- 3 -% * | -% the original point 1 * | -% * | -% _____| -% 5 4 -% \end{verbatim} -% -% The macro |\fiveunithi| has three arguments |ATOMLIST|, |SUBSLIST| -% and |OMIT| -% as well as an optional argument |BONDLIST|. -% -% \begin{verbatim} -% \fiveunithi[BONDLIST]{ATOMLIST}{SUBSLIST}{OMIT} -% \end{verbatim} -% -% The |BONDLIST| argument contains one -% character selected from a to e, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom -% at the $n$-position. -% -% \begin{verbatim} -% BONDLIST: list of inner double bonds -% -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,1-double bond -% A : aromatic circle -% {n+} : plus at the n-nitrogen atom (n = 1 to 5) -% {0+} : plus (or others) at the center -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 5 atoms) -% -% for n = 1 to 5 -% -% n : Hetero atom, e.g. N, O, etc. at n-position -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 5 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |OMIT| represents one bond to be omitted. -% The omitted edge is regarded as a fused position. -% -% \begin{verbatim} -% OMIT: one bond omitted (a, b, c, d, e, or f) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \fiveunithi{1==N}{1==H;2==F}{a} -% \end{verbatim} -% -% The definition of |\fiveunithi| uses a picture environment and -% consists of the same unit processes as shown in |\sixheteroh|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by using |\setsixringh| partially. -% \end{enumerate} -% -% \begin{macro}{\fiveunithi} -% \begin{macro}{\@fiveunithi} -% \begin{macrocode} -\def\fiveunithi{\@ifnextchar[{\@fiveunithi[@}{\@fiveunithi[r]}} -\def\@fiveunithi[#1]#2#3#4{\fiveheterohi[#1]{#2}{#3}[#4]} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{verbatim} -% (Old definition) -% % \begin{macro}{\fiveunithi} -% % \begin{macro}{\@fiveunithi} -% % \begin{macrocode} -% \def\fiveunithi{\@ifnextchar[{\@fiveunithi}{\@fiveunithi[r]}}% -% \def\@fiveunithi[#1]#2#3#4{% -% \iniatom\iniflag%initialize -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%%%%%%%%%% -% % % treatment of atom list % -% % %%%%%%%%%%%%%%%%%%%%%%%%%% -% %\def\aaa{}\def\bbb{}\def\ccc{}\def\ddd{}\def\eee{}\def\fff{}% -% \@forsemicol\member:=#2\do{% -% \expandafter\@m@mb@r\member;\relax% -% \expandafter\twoch@r\@membera{}% -% \ifcase\@tmpa% -% \or \xdef\aaa{\@memberb}% -% \or \xdef\bbb{\@memberb}% -% \or \xdef\ccc{\@memberb}% -% \or \xdef\eee{\@memberb}% -% \or \xdef\fff{\@memberb}% -% \fi}% -% \begin{picture}(800,880)(-240,-400)% -% \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}% -% \put(-\noshift,-\noshift){\circle{50}}% -% \typeout{command `fiveunithi' origin: % -% (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%% -% % % outer skeleton % -% % %%%%%%%%%%%%%%%%%% -% % changed OMIT to a list 1993/11/21 by Shinsaku Fujita -% {\resetbdsw% -% \@tfor\memBer:=#4\do{% -% \if\memBer a\relax\gdef\@aaa{}\fi% -% \if\memBer b\relax\gdef\@bbb{}\fi% -% \if\memBer c\relax\gdef\@ccc{}\fi% -% \if\memBer d\relax\gdef\@ddd{}\fi% -% \if\memBer e\relax\gdef\@eee{}\fi% -% %\if\memBer f\relax\gdef\@fff{}\fi% -% }% -% \if\@aaa a\relax\hskbonda\fi% bond between 1 and 2 -% \if\@bbb b\relax\hskbondb\fi% bond between 2 and 3 -% \if\@ccc c\relax\hskbondverti\fi% bond between 3 and 4 -% \if\@ddd d\relax\hskbonde\fi% bond between 4 and 5 -% \if\@eee e\relax\hskbondf\fi% bond between 5 and 6 -% %\if\@fff f\relax\hskbondf\fi% bond between 6 and 1 -% }% -% % old -% %\ifx#4a\relax\else% -% % \hskbonda%bond between 1 and 2 -% %\fi% -% %\ifx#4e\relax\else% -% % \hskbondf%bond between 1 and 5 -% %\fi% -% %\ifx#4b\relax\else% -% % \hskbondb%bond between 2 to 3 -% %\fi% -% %\ifx#4d\relax\else% -% % \hskbonde%bond between 5 and 4 -% %\fi% -% %\ifx#4c\relax\else% -% % \hskbondverti%bond between 4 and 3 -% %\fi% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%%%%% -% % % inner double bond % -% % %%%%%%%%%%%%%%%%%%%%% -% \@tfor\member:=#1\do{% -% \if\member r% -% \else \if\member a\relax% -% \ifx#4a\relax\else% -% \hbonda% -% \fi% -% \else \if\member b\relax% -% \ifx#4b\relax\else% -% \hbondb% -% \fi% -% \else \if\member c\relax% -% \ifx#4c\relax\else% -% \hbondverti% -% \fi% -% \else \if\member d\relax% -% \ifx#4d\relax\else% -% \hbonde% -% \fi% -% \else \if\member e\relax% -% \ifx#4e\relax\else% -% \hbondf% -% \fi% -% \else \if\member A%left aromatic circle -% \put(173,0){\circle{180}}% %circle -% \else \expandafter\twoch@@r\member{}{}% %plus or minus charges -% \if\@@tmpa 1\relax% -% \putratom{-38}{282}{\@@tmpb}% % right type -% \else\if\@@tmpa 2\relax% -% \putratom{60}{233}{\@@tmpb}% % right type -% \else\if\@@tmpa 3\relax% -% \putratom{60}{120}{\@@tmpb}% % right type -% \else\if\@@tmpa 4\relax% -% \putratom{-60}{120}{\@@tmpb}% % right type -% \else\if\@@tmpa 5\relax% -% \putratom{-60}{233}{\@@tmpb}% % right type -% \else\if\@@tmpa 0\relax% -% \putratom{140}{-30}{\@@tmpb}% % right type -% \fi\fi\fi\fi\fi\fi% -% \fi\fi\fi\fi\fi\fi\fi}% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%%%%%%% -% % % setting heteroatoms % -% % %%%%%%%%%%%%%%%%%%%%%%% -% \ifx\aaa\empty\else% -% \@acliptrue% -% \putlatom{60}{-36}{\aaa}% % left type -% \fi% -% \ifx\bbb\empty\else% -% \@bcliptrue% -% \putlatom{135}{141}{\bbb}% % left type -% \fi% -% \ifx\ccc\empty\else% -% \@ccliptrue% -% \putratom{273}{141}{\ccc}% % right type -% \fi% -% \ifx\fff\empty\else% -% \@fcliptrue% -% \putlatom{135}{-211}{\fff}% % left type -% \fi% -% \ifx\eee\empty\else% -% \@ecliptrue% -% \putratom{273}{-211}{\eee}% % right type -% \fi% -% % \end{macrocode} -% % -% % \begin{macrocode} -% % %%%%%%%%%%%%%%%%%%%%%%%% -% % % setting substituents % -% % %%%%%%%%%%%%%%%%%%%%%%%% -% \setsixringh{#3}{0}{0}{4}{0}% % for 1 to 3 -% \setsixringh{#3}{1}{4}{7}{0}% % for 4 to 5 -% \end{picture}\iniatom\iniflag}% %end of \fiveunithi macro -% % \end{macrocode} -% % \end{macro} -% \end{verbatim} -% -% \section{Three-membered heterocycles} -% \subsection{Horizontal type} -% -% The macro |\threeheteroh| typesets a three-membered ring. The following -% numbering is adopted in this macro. -% -% \begin{verbatim} -% **************************** -% * thereehetero derivatives * -% * (horizontal type) * -% **************************** - -% aaa fff -% 3 -% | ` c -% b | 1 bbb ccc -% | / a -% 2/ -% ddd eee -% -% -- -- -% | cf. threeehetero | -% | fff 3--------2bbb | -% | ` / | -% | ddd `1/ <===== the original point | -% | | -% -- -- -% \end{verbatim} -% -% The macro |\threeheteroh| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \threeheteroh(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `c' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to c, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `$n+$' ($n=1$ to $3$) represents a plus charge on a hetero atom -% at the $n$-position. -% The option `$n+$' ($n=4$ to $6$) represents a plus charge outside the ring. -% The option `$0+$' typesets a plus charge at the center of the ring. -% -% \begin{verbatim} -% BONDLIST = -% -% none : saturated -% a : 1,2-double bond -% b : 2,3-double bond -% c : 3,1-double bond -% A : aromatic circle -% {n+} : plus at the n-hetero atom (n = 1 to 3) -% : n=4 -- outer plus at 1 position -% : n=5 -- outer plus at 2 position -% : n=6 -- outer plus at 3 position -% {0+} : plus at the center of a cyclopropane ring -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 3 atoms) -% -% for n = 1 to 3 -% -% n : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 3 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges may be regarded as both fused and non-fused -% positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a to c; see BONDLIST) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \threeheteroh{1==N}{1==Cl;2==F} -% \threeheteroh[c]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \threeheteroh{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl} -% \end{verbatim} -% -% The definition of |\threeheteroh| uses a picture environment and -% consists of the same unit processes as shown in |\sixheterov|: -% \begin{enumerate} -% \item treatment of atom list, -% \item placing outer skeletons, -% \item placing inner double bonds, -% \item setting hetero atoms, and -% \item placing substituents by using |\setsixringv| partially. -% \end{enumerate} -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/5}{Add: spiro and fused rings} -% -% \begin{macro}{\threeheteroh} -% \begin{macro}{\@three@heteroh} -% \begin{macro}{\@three@@heteroh} -% \begin{macro}{\@threeheteroh} -% \begin{macrocode} -\def\threeheteroh{\@ifnextchar({\@three@heteroh(@}{\@three@heteroh(@)}} -\def\@three@heteroh(#1){\@ifnextchar[{\@three@@heteroh(#1)[@}% -{\@three@@heteroh(#1)[@]}} -\def\@three@@heteroh(#1)[#2]#3#4{\@ifnextchar[% -{\@threeheteroh(#1)[#2]{#3}{#4}[@}% -{\@threeheteroh(#1)[#2]{#3}{#4}[@]}} -\def\@threeheteroh(#1)[#2]#3#4[#5]{% -% \end{macrocode} -% -% The procedure of adusting substitution positions is based on -% a horizontal six-membered ring, in which the positions -% 4 (ddd), 6 (fff), 2 (bbb) are used in place of the positions -% 1, 2, and 3 of the three-membered ring. -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{d}{f}{b}{@}{@}{@}%tentative use for six-h -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % adustment of subs positions % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\@reset@ylsw% -\ylpositionh{#4}{3}{3}{5}{0}%subst 1 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{235}\def\@@yli{-103}\fi -\else -\ylpositionh{#4}{-1}{1}{3}{0}%subst 3 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{103}\def\@@yli{-29}\fi -\else -\ylpositionh{#4}{4}{5}{7}{0}%subst 2 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{103}\def\@@yli{-171}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(580,700)(-200,-240)% - \iforigpt \put(-200,-240){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `threeheteroh' origin: % - (0,0) ---> (200,240)}\fi% -\fi -% \end{macrocode} -% -% The procedures of setting skeletal and inner bonds are based on -% a vertical six-membered ring, where the bonds c, e, and a are -% used in place of the bonds a, b, and c. Hence, -% (1) the bond a of the latter should be related to |\bbb| and |\ccc| at -% the one terminal and to |\eee| and |\ddd| at the other terminal; -% (2) the bond b of the latter should be related to |\eee| and |\ddd| at -% the one terminal and to |\aaa| and |\fff| at the other terminal; and -% (3) the bond c of the latter should be related to |\bbb| and |\ccc| at -% the one terminal and to |\aaa| and |\fff| at the other terminal. -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % retreatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{c}{e}{a}{@}{@}{@}% -\test@vertix@sixv{#3}{b}{d}{f}{@}{@}{@}% -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -{\resetbdsw% -\@bond@@omit{#5}% -\put(0,0){\set@skel@bond{#1}{a}{c}}% - % bond between 1 and 2 \@aaa -> \skbondc etc -\put(171,-103){\set@skel@bond{#1}{b}{e}}% - % bond between 2 and 3 \@bbb -> \skbonde etc -\put(0,-200){\set@skel@bond{#1}{c}{a}}% - % bond between 3 and 1 \@ccc -> \skbonda etc -}% -% -% \put(0,0){\skbondc}% bond between 1 and 2 -% \put(0,-200){\skbonda}% bond between 1 and 3 -% \put(171,-103){\skbonde}%bond between 2 and 3 -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r\relax% -\else\if\member a\relax\put(0,0){\bondc}% -\else\if\member b\relax\put(171,-103){\bonde}% -\else\if\member c\relax\put(0,-200){\bonda}% -\else\if\member A\relax% aromatic circle - \put(70,103){\circle{100}}% %circle -\else -% %%%%%%%%%%%%%%%%%%%%%%%%% -% % inner bond attachment % -% %%%%%%%%%%%%%%%%%%%%%%%%% - \expandafter\twoCH@@R\member//% - \set@fusionadd@threeh -\fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% -% The proceduce of setting hetero atoms on the vertices of -% a three-membered ring is based on the macro |\set@hetaromh@sixh|, -% where the positions 4, 6, and 2 of a horizontal six-membered ring -% are used in place of the positions 1, 2, and 3 of the three-membered ring. -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\iniflag -%\put(-235,103){\set@hetatom@sixh{#3}{3}{3}{5}{0}% -\put(-215,103){\set@hetatom@sixh{#3}{3}{3}{5}{0}% -\if@clip \global\@cliptrue\fi}%subst 1 <--six h 4 -\put(-103,29){\set@hetatom@sixh{#3}{-1}{1}{3}{0}% -\if@bclip \global\@bcliptrue\fi}%subst 3 <--six h 2 -\put(-103,171){\set@hetatom@sixh{#3}{4}{5}{7}{0}% -\if@fclip \global\@fcliptrue\fi}%subst 2 <--six h 6 -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\put(-235,103){\setsixringh{#4}{3}{3}{5}{0}}%subst 1 -\put(-103,29){\setsixringh{#4}{-1}{1}{3}{0}}%subst 3 -\put(-103,171){\setsixringh{#4}{4}{5}{7}{0}}%subst 2 -\end{picture}% -\iniatom\iniflag}% %end of \threeheteroh macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The macro |\set@fusionadd@threeh| is an inner command contained -% in the definition of |\threeheteroh| etc., where -% the macro is used for setting an additive -% or a fused ring at each bond (designated by |\@@tmpa|). The -% fused ring is typeset by the inner command |\set@fusion@threeh|. -% -% \begin{macro}{\set@fusionadd@threeh} -% \changes{v2.00}{1998/12/5}{New command: \cs{set@fusionadd@threeh}} -% \begin{macrocode} -\def\set@fusionadd@threeh{% - \if\@@tmpa 0\relax% - \putratom{35}{85}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 1\relax% - \putratom{80}{85}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{15}{50}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{15}{120}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{180}{130}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{20}{-60}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putratom{20}{230}{\scriptsize\@@tmpb}% % right type - \else -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% - \set@fusion@threeh - \fi\fi\fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% \end{macro} -% -% The inner command |\set@fusion@threeh| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@threeh} -% \changes{v2.00}{1998/12/5}{New command: \cs{set@fusion@threeh}} -% \begin{macrocode} -\def\set@fusion@threeh{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% -\if\@@tmpa b\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{0}{-200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{0}{200}{\@@tmpb}% % bond fused - \FuseWarning{0}{200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \else\if\@@tmpa a\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa c\relax% - \putlratom{0}{200}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}% - \else\if\@@tmpa C\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}% -\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@threeh -% \end{macrocode} -% \end{macro} -% -% \subsection{Inverse horizontal type} -% -% The macro |\threeheterohi| typesets a three-membered ring. The following -% numbering is adopted in this macro. -% -% \begin{verbatim} -% ******************************* -% * thereehetero derivatives * -% * (vertical horizontal type) * -% ******************************* -% -% aaa bbb -% c 3 -% / | -% eee 1 | b -% fff a` | -% 2 <---original point -% ccc ddd -% \end{verbatim} -% -% The macro |\threeheterohi| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% Two optional arguments |SKBONDLIST| and |OMIT| are added to -% treat stereochemical information or other bond situations. -% -% \begin{verbatim} -% \threeheterohi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT] -% \end{verbatim} -% -% The |SKBONDLIST| argument contains pairs of two alphabets in -% parentheses, e.g. (\{bA\}\{fB\}). Each pair contains a lowercase -% character selected from bond specifiers `a' to `c' and a uppercase -% character `A' or `B'. -% -% The |BONDLIST| argument contains one -% character selected from a to c, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `$n+$' ($n=1$ to $3$) represents a plus charge on a hetero atom -% at the $n$-position. -% The option `$n+$' ($n=4$ to $6$) represents a plus charge outside the ring. -% The option `$0+$' typesets a plus charge at the center of the ring. -% -% \begin{verbatim} -% BONDLIST = -% -% none : saturated -% a : 1,2-double bond -% b : 2,3-double bond -% c : 3,1-double bond -% A : aromatic circle -% {n+} : plus at the n-hetero atom (n = 1 to 3) -% : n=4 -- outer plus at 1 position -% : n=5 -- outer plus at 2 position -% : n=6 -- outer plus at 3 position -% {0+} : plus at the center of a cyclopropane ring -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% ATOMLIST: list of heteroatoms (max 3 atoms) -% -% for n = 1 to 3 -% -% n : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 3 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% nSd : alpha single bond at n-atom (dotted line) -% with an alternative direction to nSA -% nSu : beta single bond at n-atom (boldface) -% with an alternative direction to nSB -% nFA : alpha single bond at n-atom (dotted line) -% for ring fusion -% nFB : beta single bond at n-atom (boldface) -% for ring fusion -% nGA : alpha single bond at n-atom (dotted line) -% for the other ring fusion -% nGB : beta single bond at n-atom (boldface) -% for the other ring fusion -% \end{verbatim} -% -% The argument |OMIT| represents one or more bonds to be omitted. -% The omitted edges may be regarded as both fused and non-fused -% positions. -% -% \begin{verbatim} -% OMIT: one or more bonds omitted (a to c; see BONDLIST) -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \threeheterohi{1==N}{1==Cl;2==F} -% \threeheterohi[c]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \threeheterohi{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl} -% \end{verbatim} -% -% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw}, -% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, -% \cs{yl@xdiff} and \cs{yl@ydiff}} -% \changes{v2.00}{1998/12/5}{Add: spiro and fused rings} -% -% \begin{macro}{\threeheterohi} -% \begin{macro}{\@three@heterohi} -% \begin{macro}{\@three@@heterohi} -% \begin{macro}{\@threeheterohi} -% \begin{macrocode} -\def\threeheterohi{\@ifnextchar({\@three@heterohi(@}{\@three@heterohi(@)}} -\def\@three@heterohi(#1){\@ifnextchar[{\@three@@heterohi(#1)[@}% -{\@three@@heterohi(#1)[@]}} -\def\@three@@heterohi(#1)[#2]#3#4{\@ifnextchar[% -{\@threeheterohi(#1)[#2]{#3}{#4}[@}% -{\@threeheterohi(#1)[#2]{#3}{#4}[@]}} -\def\@threeheterohi(#1)[#2]#3#4[#5]{% -% \end{macrocode} -% -% The procedure of adusting substitution positions is based on -% a horizontal six-membered ring, in which the positions -% 1 (aaa), 5 (eee), 3 (ccc) are used in place of the positions -% 1, 2, and 3 of the three-membered ring. -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%% -% % treatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{a}{e}{c}{@}{@}{@}%tentative use for six-h -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % adustment of subs positions % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\@reset@ylsw% -\ylpositionh{#4}{0}{0}{2}{0}%subst 1 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{171}\def\@@yli{-103}\fi -\else -\ylpositionh{#4}{0}{2}{4}{0}%subst 3 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{303}\def\@@yli{-29}\fi -\else -\ylpositionh{#4}{3}{4}{6}{0}%subst 2 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{303}\def\@@yli{-171}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(580,700)(-400,-240)% - \iforigpt \put(-400,-240){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `threeheterohi' origin: % - (0,0) ---> (400,240)}\fi% -\fi -% \end{macrocode} -% -% The procedures of setting skeletal and inner bonds are based on -% a vertical six-membered ring, where the bonds d, b, and f are -% used in place of the bonds a, b, and c. -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%% -% % retreatment of atom list % -% %%%%%%%%%%%%%%%%%%%%%%%%%%%% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{e}{c}{a}{@}{@}{@}% -\test@vertix@sixv{#3}{f}{d}{b}{@}{@}{@}% -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% -{\resetbdsw% -\@bond@@omit{#5}% -\put(0,0){\set@skel@bond{#1}{a}{d}}% - % bond between 1 and 2 \@aaa -> \skbondd etc -\put(-171,-103){\set@skel@bond{#1}{b}{b}}% - % bond between 2 and 3 \@bbb -> \skbondb etc -\put(0,-200){\set@skel@bond{#1}{c}{f}}% - % bond between 3 and 1 \@ccc -> \skbondf etc -}% -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\@tfor\member:=#2\do{% -\if\member r\relax% -\else\if\member a\relax\put(0,0){\bondd}% -\else\if\member b\relax\put(-171,-103){\bondb}% -\else\if\member c\relax\put(0,-200){\bondf}% -\else\if\member A\relax% aromatic circle - \put(70,103){\circle{100}}% %circle -\else -% %%%%%%%%%%%%%%%%%%%%%%%%% -% % inner bond attachment % -% %%%%%%%%%%%%%%%%%%%%%%%%% - \expandafter\twoCH@@R\member//% - \set@fusionadd@threehi -\fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% -% The proceduce of setting hetero atoms on the vertices of -% a three-membered ring is based on the macro |\set@hetaromh@sixh|, -% where the positions 1, 5, and 3 of a horizontal six-membered ring -% are used in place of the positions 1, 2, and 3 of the three-membered ring. -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\iniflag -\put(-171,103){\set@hetatom@sixh{#3}{0}{0}{2}{0}% -\if@aclip \global\@acliptrue\fi}%subst 1 <--six h 1 -\put(-303,29){\set@hetatom@sixh{#3}{0}{2}{4}{0}% -\if@cclip \global\@ccliptrue\fi}%subst 3 <--six h 3 -\put(-303,171){\set@hetatom@sixh{#3}{3}{4}{6}{0}% -\if@eclip \global\@ecliptrue\fi}%subst 2 <--six h 5 -% \end{macrocode} -% -% \begin{macrocode} -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\put(-171,103){\setsixringh{#4}{0}{0}{2}{0}}%subst 1 -\put(-303,29){\setsixringh{#4}{0}{2}{4}{0}}%subst 3 -\put(-303,171){\setsixringh{#4}{3}{4}{6}{0}}%subst 2 -\end{picture}% -\iniatom\iniflag}% %end of \threeheterohi macro -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The macro |\set@fusionadd@threehi| is an inner command contained -% in the definition of |\threeheterohi| etc., where -% the macro is used for setting an additive -% or a fused ring at each bond (designated by |\@@tmpa|). The -% fused ring is typeset by the inner command |\set@fusion@threehi|. -% -% \begin{macro}{\set@fusionadd@threeh} -% \changes{v2.00}{1998/12/5}{New command: \cs{set@fusionadd@threehi}} -% \begin{macrocode} -\def\set@fusionadd@threehi{% - \if\@@tmpa 0\relax% - \putlatom{-35}{85}{\scriptsize\@@tmpb}% % left type - \else\if\@@tmpa 1\relax% - \putlatom{-80}{85}{\scriptsize\@@tmpb}% % left type - \else\if\@@tmpa 2\relax% - \putlatom{-15}{50}{\scriptsize\@@tmpb}% % left type - \else\if\@@tmpa 3\relax% - \putlatom{-15}{120}{\scriptsize\@@tmpb}% % left type - \else\if\@@tmpa 4\relax% - \putlatom{-180}{130}{\scriptsize\@@tmpb}% % left type - \else\if\@@tmpa 5\relax% - \putlatom{-20}{-60}{\scriptsize\@@tmpb}% % left type - \else\if\@@tmpa 6\relax% - \putlatom{-20}{230}{\scriptsize\@@tmpb}% % left type - \else -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% - \set@fusion@threehi - \fi\fi\fi\fi\fi\fi\fi% -}% -% \end{macrocode} -% \end{macro} -% -% The inner command |\set@fusion@threehi| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@threehi} -% \changes{v2.00}{1998/12/5}{New command: \cs{set@fusion@threehi}} -% \begin{macrocode} -\def\set@fusion@threehi{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% -\if\@@tmpa b\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{0}{-200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{0}{200}{\@@tmpb}% % bond fused - \FuseWarning{0}{200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \else\if\@@tmpa a\relax% - \putlratom{-171}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa c\relax% - \putlratom{0}{200}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}% - \else\if\@@tmpa C\relax% - \putlratom{-171}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}% -\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@threehi -% -% \end{macrocode} -% \end{macro} -% -% \Finale -% -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/hetaromh.ins b/Master/texmf-dist/source/latex/xymtex/hetaromh.ins deleted file mode 100644 index c3e9cb59d1b..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/hetaromh.ins +++ /dev/null @@ -1,51 +0,0 @@ -\def\batchfile{hetaromh.ins} -\input docstrip.tex -\preamble - -This is a generated file. - -Copyright 1996,1998,2000 by Shinsaku Fujita - -This file is part of the XyMTeX system. -======================================= - -Version 1.01 Released on August 16, 1996 -Version 1.02 Released on October 31, 1996 (private version) -Version 2.00 Released on December 25, 1998 -Version 2.00a Released on November 11, 2000 - -Copyright (C) 1996, 1998, 2000 by Shinsaku Fujita, all rights reserved. -This style file is created for drawing chemical structural formulas -This style file is to be contained in the ``xymtex'' directory which -is an input directory for TeX. - -Copying of this file is authorized only if either - - (1) you make absolutely no changes to your copy, including name and - directory name - (2) if you do make changes, - (a) you name it something other than the names included in the - ``xymtex'' directory and - (b) you acknowledge the original name. - This restriction ensures that all standard styles are identical. - -======================================= - -This file contains several codes modified from latex.tex (LaTeX2.09) -and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -Copyright 1994 the LaTeX3 project and the individual authors (For further -copyright information see the file legal.txt of the LaTeX2e standard -distribution, and any other copyright indicated in this file.) - -\endpreamble - -\keepsilent - -\generateFile{hetaromh.drv}{t}{% - \from{hetaromh.dtx}{driver}} - -\generateFile{hetaromh.sty}{t}{% - \from{hetaromh.dtx}{hetaromh}} - -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/locant.drv b/Master/texmf-dist/source/latex/xymtex/locant.drv deleted file mode 100644 index b64fb464d38..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/locant.drv +++ /dev/null @@ -1,78 +0,0 @@ -%% -%% This is file `locant.drv', -%% generated with the docstrip utility. -%% -%% The original source files were: -%% -%% locant.dtx (with options: `driver') -%% -%% This is a generated file. -%% -%% Copyright 1996 by Shinsaku Fujita -%% -%% This file is part of the XyMTeX system. -%% ======================================= -%% -%% Released on August 16, 1996 -%% -%% Copyright (C) 1996 by Shinsaku Fujita, all rights reserved. -%% This style file is created for drawing chemical structural formulas -%% This style file is to be contained in the ``xymtex'' directory which -%% is an input directory for TeX. -%% -%% Copying of this file is authorized only if either -%% -%% (1) you make absolutely no changes to your copy, including name and -%% directory name -%% (2) if you do make changes, -%% (a) you name it something other than the names included in the -%% ``xymtex'' directory and -%% (b) you acknowledge the original name. -%% This restriction ensures that all standard styles are identical. -%% -%% ======================================= -%% -%% This file contains several codes modified from latex.tex (LaTeX2.09) -%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -%% Copyright 1994 the LaTeX3 project and the individual authors (For further -%% copyright information see the file legal.txt of the LaTeX2e standard -%% distribution, and any other copyright indicated in this file.) -%% -%% File: locant.dtx -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -\NeedsTeXFormat{pLaTeX2e} -\ProvidesFile{locant.dtx}[1996/08/16 v1.01 XyMTeX{} package file] -\documentclass{ltxdoc} -\GetFileInfo{locant.dtx} -\def\UPSILON{\char'7} -\def\XyM{X\kern-.30em\smash{% -\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}} -\def\XyMTeX{\XyM\kern-.1em\TeX} -\title{Setting locant numbers by {\sffamily locant.sty} -(\fileversion) of \XyMTeX{}} -\author{Shinsaku Fujita \\ -Ashigara Research Laboratories, -Fuji Photo Film Co., Ltd., \\ -Minami-Ashigara, Kanagawa, 250-01 Japan} -\date{\filedate} -\begin{document} - \maketitle - \DocInput{locant.dtx} -\end{document} -\endinput -%% -%% End of file `locant.drv'. diff --git a/Master/texmf-dist/source/latex/xymtex/locant.dtx b/Master/texmf-dist/source/latex/xymtex/locant.dtx deleted file mode 100644 index 1b9170f7d94..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/locant.dtx +++ /dev/null @@ -1,240 +0,0 @@ -% \iffalse meta-comment -%% File: locant.dtx -% -% Copyright 1993,1996 by Shinsaku Fujita -% -% This file is part of XyMTeX system. -% ------------------------------------- -% -% This file is a successor to: -% -% locant.sty -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 1.00} -% \typeout{ -- Released December 1, 1993 by Shinsaku Fujita} -% Copyright (C) 1993 by Shinsaku Fujita, all rights reserved. -% -% This file is a part of the macro package ``XyMTeX'' which has been -% designed for typesetting chemical structural formulas. -% -% This file is to be contained in the ``xymtex'' directory which is -% an input directory for TeX. It is a LaTeX optional style file and -% should be used only within LaTeX, because several macros of the file -% are based on LaTeX commands. -% -% For the review of XyMTeX, see -% (1) Shinsaku Fujita, ``Typesetting structural formulas with the text -% formatter TeX/LaTeX'', Computers and Chemistry, in press. -% The following book deals with an application of TeX/LaTeX to -% preparation of manuscripts of chemical fields: -% (2) Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' -% Tokyo Kagaku Dozin, Tokyo (1993) [in Japanese]. -% -% Copying of this file is authorized only if either -% (1) you make absolutely no changes to your copy, including name and -% directory name; or -% (2) if you do make changes, -% (a) you name it something other than the names included in the -% ``xymtex'' directory and -% (b) you are requested to leave this notice intact. -% This restriction ensures that all standard styles are identical. -% -% Please report any bugs, comments, suggestions, etc. to: -% Shinsaku Fujita, -% Ashigara Research Laboratories, Fuji Photo Film Co., Ltd., -% Minami-Ashigara, Kanagawa-ken, 250-01, Japan. -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -%\def\j@urnalname{locant} -%\def\versi@ndate{December 01, 1993} -%\def\versi@nno{ver1.00} -%\def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% -% \fi -% -% \CheckSum{88} -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -% -% \setcounter{StandardModuleDepth}{1} -% -% \StopEventually{} -% \MakeShortVerb{\|} -% -% \iffalse -% \changes{v1.01}{1996/06/26}{first edition for LaTeX2e} -% \fi -% -% \iffalse -%<*driver> -\NeedsTeXFormat{pLaTeX2e} -% \fi -\ProvidesFile{locant.dtx}[1996/08/16 v1.01 XyMTeX{} package file] -% \iffalse -\documentclass{ltxdoc} -\GetFileInfo{locant.dtx} -% -% %%XyMTeX Logo: Definition 2%%% -\def\UPSILON{\char'7} -\def\XyM{X\kern-.30em\smash{% -\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}} -\def\XyMTeX{\XyM\kern-.1em\TeX} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\title{Setting locant numbers by {\sffamily locant.sty} -(\fileversion) of \XyMTeX{}} -\author{Shinsaku Fujita \\ -Ashigara Research Laboratories, -Fuji Photo Film Co., Ltd., \\ -Minami-Ashigara, Kanagawa, 250-01 Japan} -\date{\filedate} -% -\begin{document} - \maketitle - \DocInput{locant.dtx} -\end{document} -% -% \fi -% -% \section{Introduction}\label{locant:intro} -% -% \subsection{Options for {\sffamily docstrip}} -% -% \DeleteShortVerb{\|} -% \begin{center} -% \begin{tabular}{|l|l|} -% \hline -% \emph{option} & \emph{function}\\ \hline -% locant & locant.sty \\ -% driver & driver for this dtx file \\ -% \hline -% \end{tabular} -% \end{center} -% \MakeShortVerb{\|} -% -% \subsection{Version Information} -% -% \begin{macrocode} -%<*locant> -\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 1.01} -\typeout{ -- Released August 16, 1996 by Shinsaku Fujita} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\def\j@urnalname{locant} -\def\versi@ndate{August 16, 1996} -\def\versi@nno{ver1.01} -\def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>% -\space[\copyrighth@lder]} -% \end{macrocode} -% -% \section{Macros for designating locant numbers} -% \subsection{Bond indicators for vertical formulas} -% -% \begin{macro}{\dbloocant} -% \begin{macro}{\dblocant} -% The macro |\dbloocant| is used to designate six edges (inner double bonds) -% of a six-membered ring. Any character can be asigned to the respective -% bond. -% The macro |\dblocant| provides a fixed set of aliphabetical charactors -% on the six edges. -% \begin{macrocode} -\def\bdloocant#1#2#3#4#5#6{% -\begin{picture}(800,880)(-\shiftii,-\shifti) -\putratom{90}{360}{#1}% -\putratom{200}{180}{#2}% -\putratom{90}{-20}{#3}% -\putlatom{-90}{360}{#6}% -\putlatom{-200}{180}{#5}% -\putlatom{-90}{-20}{#4}% -\end{picture}}% -\def\bdlocant{\bdloocant{a}{b}{c}{d}{e}{f}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\sxloocant} -% \begin{macro}{\sxlocant} -% The macro |\sxloocant| is used to designate six vertices -% of a six-membered ring. Any character can be asigned to the respective -% bond. -% The macro |\sxlocant| provides a fixed set of arabic numerals -% on the six edges. -% \begin{macrocode} -\def\sxloocant#1#2#3#4#5#6{% -\begin{picture}(800,880)(-\shiftii,-\shifti)% -\putratom{-10}{340}{\scriptsize #1}% -\putlatom{150}{260}{\scriptsize #2}% -\putlatom{150}{110}{\scriptsize #3}% -\putratom{-10}{40}{\scriptsize #4}% -\putratom{-150}{110}{\scriptsize #5}% -\putratom{-150}{260}{\scriptsize #6}% -\end{picture}}% -\def\sxlocant{\sxloocant{1}{2}{3}{4}{5}{6}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \subsection{Bond indicators for vertical formulas} -% -% \begin{macro}{\dbloocanth} -% \begin{macro}{\dblocanth} -% The macro |\dbloocanth| is used to designate six edges (inner double bonds) -% of a horizontal six-membered ring. -% Any character can be asigned to the respective bond. -% The macro |\dblocanth| provides a fixed set of aliphabetical charactors -% on the six edges. -% \begin{macrocode} -\def\bdloocnth#1#2#3#4#5#6{% -\begin{picture}(880,800)(-\shifti,-\shiftii)% -\putlatom{10}{80}{#1}% -\putratom{180}{210}{#2}% -\putratom{380}{80}{#3}% -\putratom{380}{-120}{#4}% -\putratom{180}{-260}{#5}% -\putlatom{10}{-120}{#6}% -\end{picture}}% -\def\bdlocnth{\bdloocnth{a}{b}{c}{d}{e}{f}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\sxloocanth} -% \begin{macro}{\sxlocanth} -% The macro |\sxloocanth| is used to designate six vertices -% of a horizontal six-membered ring. -% Any character can be asigned to the respective bond. -% The macro |\sxlocanth| provides a fixed set of arabic numerals -% on the six edges. -% \begin{macrocode} -\def\sxloocnth#1#2#3#4#5#6{% -\begin{picture}(880,800)(-\shifti,-\shiftii)% -\putratom{40}{-20}{\scriptsize #1}% -\putratom{110}{100}{\scriptsize #2}% -\putlatom{290}{100}{\scriptsize #3}% -\putlatom{380}{-20}{\scriptsize #4}% -\putratom{110}{-140}{\scriptsize #6}% -\putlatom{290}{-140}{\scriptsize #5}% -\end{picture}}% -\def\sxlocnth{\sxloocnth{1}{2}{3}{4}{5}{6}} -% -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \Finale -% -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/locant.ins b/Master/texmf-dist/source/latex/xymtex/locant.ins deleted file mode 100644 index 789de1ea609..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/locant.ins +++ /dev/null @@ -1,48 +0,0 @@ -\def\batchfile{locant.ins} -\input docstrip.tex -\preamble - -This is a generated file. - -Copyright 1996 by Shinsaku Fujita - -This file is part of the XyMTeX system. -======================================= - -Released on August 16, 1996 - -Copyright (C) 1996 by Shinsaku Fujita, all rights reserved. -This style file is created for drawing chemical structural formulas -This style file is to be contained in the ``xymtex'' directory which -is an input directory for TeX. - -Copying of this file is authorized only if either - - (1) you make absolutely no changes to your copy, including name and - directory name - (2) if you do make changes, - (a) you name it something other than the names included in the - ``xymtex'' directory and - (b) you acknowledge the original name. - This restriction ensures that all standard styles are identical. - -======================================= - -This file contains several codes modified from latex.tex (LaTeX2.09) -and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -Copyright 1994 the LaTeX3 project and the individual authors (For further -copyright information see the file legal.txt of the LaTeX2e standard -distribution, and any other copyright indicated in this file.) - -\endpreamble - -\keepsilent - -\generateFile{locant.drv}{t}{% - \from{locant.dtx}{driver}} - -\generateFile{locant.sty}{t}{% - \from{locant.dtx}{locant}} - -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/lowcycle.drv b/Master/texmf-dist/source/latex/xymtex/lowcycle.drv deleted file mode 100644 index 6a3c5f5fa1d..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/lowcycle.drv +++ /dev/null @@ -1,81 +0,0 @@ -%% -%% This is file `lowcycle.drv', -%% generated with the docstrip utility. -%% -%% The original source files were: -%% -%% lowcycle.dtx (with options: `driver') -%% -%% This is a generated file. -%% -%% Copyright 1996,1998 by Shinsaku Fujita -%% -%% This file is part of the XyMTeX system. -%% ======================================= -%% -%% Version 1.01 Released on August 16, 1996 -%% Version 1.02 Released on October 31, 1996 (private version) -%% Version 2.00 Released on December 25, 1998 -%% -%% Copyright (C) 1996, 1998 by Shinsaku Fujita, all rights reserved. -%% This style file is created for drawing chemical structural formulas -%% This style file is to be contained in the ``xymtex'' directory which -%% is an input directory for TeX. -%% -%% Copying of this file is authorized only if either -%% -%% (1) you make absolutely no changes to your copy, including name and -%% directory name -%% (2) if you do make changes, -%% (a) you name it something other than the names included in the -%% ``xymtex'' directory and -%% (b) you acknowledge the original name. -%% This restriction ensures that all standard styles are identical. -%% -%% ======================================= -%% -%% This file contains several codes modified from latex.tex (LaTeX2.09) -%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -%% Copyright 1994 the LaTeX3 project and the individual authors (For further -%% copyright information see the file legal.txt of the LaTeX2e standard -%% distribution, and any other copyright indicated in this file.) -%% -%% File: lowcycle.dtx -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -\NeedsTeXFormat{pLaTeX2e} -\ProvidesFile{lowcycle.dtx}[1998/12/25 v2.00 XyMTeX{} package file] -\documentclass{ltxdoc} -\GetFileInfo{lowcycle.dtx} -\def\UPSILON{\char'7} -\def\XyM{X\kern-.30em\smash{% -\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}} -\def\XyMTeX{\XyM\kern-.1em\TeX} -\title{Lower carbocyclic compounds by {\sffamily lowcycle.sty} -(\fileversion) of \XyMTeX{}} -\author{Shinsaku Fujita \\ -Department of Chemistry and Materials Technology, \\ -Kyoto Institute of Technology, \\ -Matsugasaki, Sakyoku, Kyoto, 606 Japan -} -\date{\filedate} -\begin{document} - \maketitle - \DocInput{lowcycle.dtx} -\end{document} -\endinput -%% -%% End of file `lowcycle.drv'. diff --git a/Master/texmf-dist/source/latex/xymtex/lowcycle.dtx b/Master/texmf-dist/source/latex/xymtex/lowcycle.dtx deleted file mode 100644 index 11d142a18d1..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/lowcycle.dtx +++ /dev/null @@ -1,854 +0,0 @@ -% \iffalse meta-comment -%% File: lowcycle.dtx -% -% Copyright 1993,1996,1998 by Shinsaku Fujita -% -% This file is part of XyMTeX system. -% ------------------------------------- -% -% This file is a successor to: -% -% lowcycle.sty -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 1.00} -% \typeout{ -- Released December 1, 1993 by Shinsaku Fujita} -% Copyright (C) 1993 by Shinsaku Fujita, all rights reserved. -% -% This file is a part of the macro package ``XyMTeX'' which has been -% designed for typesetting chemical structural formulas. -% -% This file is to be contained in the ``xymtex'' directory which is -% an input directory for TeX. It is a LaTeX optional style file and -% should be used only within LaTeX, because several macros of the file -% are based on LaTeX commands. -% -% For the review of XyMTeX, see -% (1) Shinsaku Fujita, ``Typesetting structural formulas with the text -% formatter TeX/LaTeX'', Computers and Chemistry, in press. -% The following book deals with an application of TeX/LaTeX to -% preparation of manuscripts of chemical fields: -% (2) Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' -% Tokyo Kagaku Dozin, Tokyo (1993) [in Japanese]. -% -% Copying of this file is authorized only if either -% (1) you make absolutely no changes to your copy, including name and -% directory name; or -% (2) if you do make changes, -% (a) you name it something other than the names included in the -% ``xymtex'' directory and -% (b) you are requested to leave this notice intact. -% This restriction ensures that all standard styles are identical. -% -% Please report any bugs, comments, suggestions, etc. to: -% Shinsaku Fujita, -% Ashigara Research Laboratories, Fuji Photo Film Co., Ltd., -% Minami-Ashigara, Kanagawa-ken, 250-01, Japan. -% -% New address: -% Shinsaku Fujita, -% Department of Chemistry and Materials Technology, -% Kyoto Institute of Technology, \\ -% Matsugasaki, Sakyoku, Kyoto, 606 Japan -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{lowcycle} -% \def\versi@ndate{December 01, 1993} -% \def\versi@nno{ver1.00} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{lowcycle} -% \def\versi@ndate{August 16, 1996} -% \def\versi@nno{ver1.01} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{lowcycle} -% \def\versi@ndate{October 31, 1998} -% \def\versi@nno{ver1.02} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% -% \fi -% -% \CheckSum{175} -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -% -% \setcounter{StandardModuleDepth}{1} -% -% \StopEventually{} -% \MakeShortVerb{\|} -% -% \iffalse -% \changes{v1.01}{1996/06/26}{first edition for LaTeX2e} -% \changes{v1.02}{1998/10/31}{revised edition for LaTeX2e} -% \changes{v2.00}{1998/12/25}{enhanced edition for LaTeX2e} -% \fi -% -% \iffalse -%<*driver> -\NeedsTeXFormat{pLaTeX2e} -% \fi -\ProvidesFile{lowcycle.dtx}[1998/12/25 v2.00 XyMTeX{} package file] -% \iffalse -\documentclass{ltxdoc} -\GetFileInfo{lowcycle.dtx} -% -% %%XyMTeX Logo: Definition 2%%% -\def\UPSILON{\char'7} -\def\XyM{X\kern-.30em\smash{% -\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}} -\def\XyMTeX{\XyM\kern-.1em\TeX} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\title{Lower carbocyclic compounds by {\sffamily lowcycle.sty} -(\fileversion) of \XyMTeX{}} -\author{Shinsaku Fujita \\ -Department of Chemistry and Materials Technology, \\ -Kyoto Institute of Technology, \\ -Matsugasaki, Sakyoku, Kyoto, 606 Japan -% % (old address) -% % Ashigara Research Laboratories, -% % Fuji Photo Film Co., Ltd., \\ -% % Minami-Ashigara, Kanagawa, 250-01 Japan -} -\date{\filedate} -% -\begin{document} - \maketitle - \DocInput{lowcycle.dtx} -\end{document} -% -% \fi -% -% \section{Introduction}\label{lowcycle:intro} -% -% \subsection{Options for {\sffamily docstrip}} -% -% \DeleteShortVerb{\|} -% \begin{center} -% \begin{tabular}{|l|l|} -% \hline -% \emph{option} & \emph{function}\\ \hline -% lowcycle & lowcycle.sty \\ -% driver & driver for this dtx file \\ -% \hline -% \end{tabular} -% \end{center} -% \MakeShortVerb{\|} -% -% \subsection{Version Information} -% -% \begin{macrocode} -%<*lowcycle> -\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00} -\typeout{ -- Released December 25, 1998 by Shinsaku Fujita} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\def\j@urnalname{lowcycle} -\def\versi@ndate{December 25, 1998} -\def\versi@nno{ver2.00} -\def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>% -\space[\copyrighth@lder]} -% \end{macrocode} -% -% \section{List of commands for lowcycle.sty} -% -% \begin{verbatim} -% ********************************** -% * lowcycle.sty: list of commands * -% ********************************** -% -% \cyclopentanev \@cyclopentanev -% \cyclopentanevi \@cyclopentanevi -% \cyclopentaneh \@cyclopentaneh -% \cyclopentanehi \@cyclopentanehi -% -% \cyclobutane \@cyclobutane -% -% \cyclopropane \@cyclopropane -% \cyclopropanei \@cyclopropanei -% \cyclopropaneh \@cyclopropaneh -% \cyclopropanehi \@cyclopropanehi -% -% \indanev \@indanev -% \indanevi \@indanevi -% \indaneh \@indaneh -% \indanehi \@indanehi -% \end{verbatim} -% -% \section{Input of basic macros} -% -% To assure the compatibility to \LaTeX{}2.09 (the native mode), -% the commands added by \LaTeXe{} have not been used in the resulting sty -% files ({\sf lowcycle.sty} for the present case). Hence, the combination -% of |\input| and |\@ifundefined| is used to crossload sty -% files ({\sf chemstr.sty} etc. for the present case) in place of the -% |\RequirePackage| command of \LaTeXe{}. -% -% \begin{macrocode} -% ************************* -% * input of basic macros * -% ************************* -\@ifundefined{setsixringv}{\input chemstr.sty\relax}{} -\@ifundefined{threehetero}{\input hetarom.sty\relax}{} -\@ifundefined{sixheteroh}{\input hetaromh.sty\relax}{} -\unitlength=0.1pt -% \end{macrocode} -% -% \section{Cyclopentane derivatives} -% \subsection{Vertical type} -% -% The macros |\cyclopentanev| and |\cyclopentanevi| have an -% argument |SUBSLIST| as well as an optional argument |BONDLIST|. -% The macro |\cyclopentanev| draws a five-membered ring with a -% flat top bond, while the macro |\cyclopentanevi| draws an -% inverse ring with a flat bottom bond. -% \begin{verbatim} -% ****************************** -% * cyclopentane derivatives * -% * (vertical type & inverse) * -% ****************************** -% -% \cyclopentanev[BONDLIST]{SUBSLIST} -% \cyclopentanevi[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one or more -% characters selected from a to e, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. The -% option `$n+$' ($n=1$--$5$) is used for designating a plus charge on -% the $n$-carbon. -% The option `$0+$'is used for designating a plus charge at the center -% of the five-membered ring. -% \begin{verbatim} -% BONDLIST: list of inner double bonds -% -% none : mother nucleus (fully saturated form) -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,1-double bond -% {n+} : plus at the n-carbon atom (n = 1 to 5) -% {0+} : plus at the center -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 5 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \cyclopentanev{1==H;2==F} -% \cyclopentanev[]{1==H;2==F} -% \cyclopentanev[H]{1==H;2==F} -% \end{verbatim} -% -% \begin{macro}{\cyclopentanev} -% \begin{macro}{\cyclopentanevi} -% \begin{macrocode} -\def\cyclopentanev{\@ifnextchar[{\@cyclopentanev[@}{\@cyclopentanev[]}} -\def\@cyclopentanev[#1]#2{% -\iforigpt \typeout{command `cyclopentanev' % - is based on `fiveheterov'.}\fi% -\fiveheterov[#1]{}{#2}} -% \end{macrocode} -% -% \begin{macrocode} -\def\cyclopentanevi{\@ifnextchar[{\@cyclopentanevi[@}{\@cyclopentanevi[]}} -\def\@cyclopentanevi[#1]#2{% -\iforigpt \typeout{command `cyclopentanevi' % - is based on `fiveheterovi'.}\fi% -\fiveheterovi[#1]{}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \subsection{Horizontal type} -% -% The macros |\cyclopentaneh| and |\cyclopentanehi| have an -% argument |SUBSLIST| as well as an optional argument |BONDLIST|. -% The macro |\cyclopentaneh| draws a five-membered ring with a -% vertical left bond, while the macro |\cyclopentanehi| draws an -% inverse ring with a vertical right bond. -% \begin{verbatim} -% ******************************** -% * cyclopentane derivatives * -% * (horizontal type & inverse) * -% ******************************** -% -% \cyclopentaneh[BONDLIST]{SUBSLIST} -% \cyclopentanehi[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one or more -% characters selected from a to e, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. The -% option `$n+$' ($n=1$--$5$) is used for designating a plus charge on -% the $n$-carbon. -% The option `$0+$'is used for designating a plus charge at the center -% of the five-membered ring. -% \begin{verbatim} -% -% BONDLIST: list of inner double bonds -% -% none : mother nucleus (fully saturated form) -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% d : 4,5-double bond -% e : 5,1-double bond -% {n+} : plus at the n-carbon atom (n = 1 to 5) -% {0+} : plus at the center -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 5 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% -% e.g. -% -% \cyclopentaneh{1==H;2==F} -% \cyclopentanehi[]{1==H;2==F} -% \cyclopentanehi[H]{1==H;2==F} -% -% \end{verbatim} -% -% \begin{macro}{\cyclopentaneh} -% \begin{macro}{\cyclopentanehi} -% \begin{macrocode} -\def\cyclopentaneh{\@ifnextchar[{\@cyclopentaneh[@}{\@cyclopentaneh[]}} -\def\@cyclopentaneh[#1]#2{% -\iforigpt \typeout{command `cyclophentaneh' % - is based on `fiveheteroh'.}\fi% -\fiveheteroh[#1]{}{#2}} -% \end{macrocode} -% -% \begin{macrocode} -\def\cyclopentanehi{% - \@ifnextchar[{\@cyclopentanehi[@}{\@cyclopentanehi[]}} -\def\@cyclopentanehi[#1]#2{% -\iforigpt \typeout{command `cyclopentanehi' % - is based on `fiveheterohi'.}\fi% -\fiveheterohi[#1]{}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \section{Indan derivatives} -% \subsection{Vertical type} -% -% The macros |\indanev| and |\indanevi| have an -% argument |SUBSLIST| as well as an optional argument |BONDLIST|. -% The macro |\indanev| draws a five-membered ring with a -% flat top bond, while the macro |\indanevi| draws an -% inverse ring with a flat bottom bond. -% \begin{verbatim} -% *********************************************************** -% * indane derivatives (fused six- and five-membered rings) * -% * (vertical type & inverse) * -% *********************************************************** -% -% \indanev[BONDLIST]{SUBSLIST} -% \indanevi[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one or more -% characters selected from a to j, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `A' typesets a six-membered ring with an aromatic circle. -% The option `$n+$' ($n=1$--$7$) is used for designating a plus charge on -% the $n$-carbon. -% \begin{verbatim} -% -% BONDLIST: list of bonds -% -% none or r : aromatic six-membered ring -% H or [] : fully saturated form -% a : 1,2-double bond b : 2,3-double bond -% c : 3,3a-double bond d : 4,3a-double bond -% e : 4,5-double bond f : 5,6-double bond -% g : 6,7-double bond h : 7,7a-double bond -% i : 1,7a-double bond j : 3a,4a-double bond -% A : aromatic circle -% {n+} : plus at the n-nitrogen atom (n = 1 to 7) -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents (max 7 substitution positions) -% -% for n = 1 to 8 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% for 8 (3a position) and 9 (7a position) -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% -% e.g. -% -% \indanev{1==Cl;2==F} -% \indanev[c]{1==Cl;4==F;2==CH$_{3}$} -% \indanev[eb]{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl} -% -% \end{verbatim} -% -% \begin{macro}{\indanev} -% \begin{macro}{\indanevi} -% \begin{macrocode} -\def\indanev{\@ifnextchar[{\@indanev[@}{\@indanev[rb]}} -\def\@indanev[#1]#2{% -\iforigpt \typeout{command `indanev' % - is based on `nonaheterov'.}\fi% -\nonaheterov[#1]{}{#2}} -% \end{macrocode} -% -% \begin{macrocode} -\def\indanevi{\@ifnextchar[{\@indanevi[@}{\@indanevi[rb]}} -\def\@indanevi[#1]#2{% -\iforigpt \typeout{command `indanevi' % - is based on `nonaheterovi'.}\fi% -\nonaheterovi[#1]{}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \subsection{Horizontal type} -% -% The macros |\indaneh| and |\indanehi| have an -% argument |SUBSLIST| as well as an optional argument |BONDLIST|. -% The macro |\indaneh| draws a five-membered ring with a -% vertical left bond, while the macro |\indanehi| draws an -% inverse ring with a vertical right bond. -% \begin{verbatim} -% *********************************************************** -% * indane derivatives (fused six- and five-membered rings) * -% * (horizontal type & inverse) * -% *********************************************************** -% -% \indaneh[BONDLIST]{SUBSLIST} -% \indanehi[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one or more -% characters selected from a to j, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `A' typesets a six-membered ring with an aromatic circle. -% The option `$n+$' ($n=1$--$7$) is used for designating a plus charge on -% the $n$-carbon. -% \begin{verbatim} -% -% BONDLIST: list of bonds -% -% none or r : aromatic six-membered ring -% H or [] : fully saturated form -% a : 1,2-double bond b : 2,3-double bond -% c : 3,3a-double bond d : 4,3a-double bond -% e : 4,5-double bond f : 5,6-double bond -% g : 6,7-double bond h : 7,7a-double bond -% i : 1,7a-double bond j : 3a,4a-double bond -% A : aromatic circle -% {n+} : plus at the n-nitrogen atom (n = 1 to 7) -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 8 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% -% for 8 (3a position) and 9 (7a position) -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \indaneh{1==Cl;2==F} -% \indaneh[c]{1==Cl;4==F;2==CH$_{3}$} -% \indaneh[eb]{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl} -% \end{verbatim} -% -% \begin{macro}{\indaneh} -% \begin{macro}{\indanehi} -% \begin{macrocode} -\def\indaneh{\@ifnextchar[{\@indaneh[@}{\@indaneh[rb]}} -\def\@indaneh[#1]#2{% -\iforigpt \typeout{command `indaneh' % - is based on `nonaheteroh'.}\fi% -\nonaheteroh[#1]{}{#2}} -\def\indanehi{\@ifnextchar[{\@indanehi[@}{\@indanehi[rb]}} -\def\@indanehi[#1]#2{% -\iforigpt \typeout{command `indanehi' % - is based on `nonaheterohi'.}\fi% -\nonaheterohi[#1]{}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% -% \section{Cyclobutane derivatives} -% -% The macros |\cyclobutane| has an -% argument |SUBSLIST| as well as an optional argument |BONDLIST|. -% This macro is based on the \verb/\fourhetero/ command for drawing -% four-membered heterocycles. -% \begin{verbatim} -% *************************** -% * cyclobutane derivatives * -% *************************** -% The following numbering is adopted in this macro. -% -% c -% 4 _____ 3 -% d | | b -% | | -% 1 ----- 2<===== the original point -% a -% -% \cyclobutane[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one or more -% characters selected from a to e, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `$n+$' ($n=1$--$4$) is used for designating a plus charge on -% the $n$-carbon. -% \begin{verbatim} -% -% BONDLIST: list of inner double bonds -% -% a : 1,2-double bond -% b : 2,3-double bond -% c : 4,3-double bond -% e : 4,1-double bond -% -% {n+} : plus at the n-nitrogen atom (n = 1 to 4) -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents (max 5 substitution positions) -% -% for n = 1 to 4 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \cyclobutane{1==H;2==F} -% \cyclobutane[c]{1==Cl;4==F;2==CH$_{3}$} -% \cyclobutane[eb]{1D==O;4SA==MeO;4SB==OMe} -% \end{verbatim} -% -% \begin{macro}{\cyclobutane} -% \begin{macrocode} -\def\cyclobutane{\@ifnextchar[{\@cyclobutane[@}{\@cyclobutane[]}} -\def\@cyclobutane[#1]#2{% -\iforigpt \typeout{command `cyclobutane' % - is based on `fourhetero'.}\fi% -\fourhetero[#1]{}{#2}} -% \end{macrocode} -% \end{macro} -% -% \section{Cyclopropane derivatives} -% -% The macros |\cyclopropane| has an -% argument |SUBSLIST| as well as an optional argument |BONDLIST|. -% This macro is based on the \verb/\threehetero/ command for drawing -% three-membered heterocycles. -% \begin{verbatim} -% **************************** -% * cyclopropane derivatives * -% * (vertical type) * -% **************************** -% The following numbering is adopted in this macro. -% -% b -% 3--------2 -% c ` / a -% `1/ <===== the original point -% -% -% \cyclopropane[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one or more -% characters selected from a to c, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `A' is used for designating an aromatic character with a -% circle. -% The option `$n+$' ($n=1$--$3$) is used for designating a plus charge on -% the $n$-carbon, while -% the case $n=4$--$6$) indicates a plus charge outside the ring. -% The option `0+' draws a plus symbol at the center of the ring. -% \begin{verbatim} -% -% BONDLIST = -% -% none : saturated -% a : 1,2-double bond -% b : 2,3-double bond -% c : 3,1-double bond -% A : aromatic circle -% {n+} : plus at the n-hetero atom (n = 1 to 3) -% : n=4 -- outer plus at 1 position -% : n=5 -- outer plus at 2 position -% : n=6 -- outer plus at 3 position -% {0+} : plus at the center of a cyclopropane ring -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents (max 3 substitution positions) -% -% for n = 1 to 3 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% -% e.g. -% -% \cyclopropane{1==N}{1==Cl;2==F} -% -% \end{verbatim} -% -% \begin{macro}{\cyclopropane} -% \begin{macro}{\cyclopropanev} -% \begin{macrocode} -\def\cyclopropane{\@ifnextchar[{\@cyclopropane[@}{\@cyclopropane[]}} -\def\@cyclopropane[#1]#2{% -\iforigpt \typeout{command `cyclopropane' % - is based on `threehetero'.}\fi% -\threehetero[#1]{}{#2}} -\let\cyclopropanev=\cyclopropane -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The macros |\cyclopropanei| has an -% argument |SUBSLIST| as well as an optional argument |BONDLIST|. -% This macro is based on the \verb/\threehetero/ command for drawing -% three-membered heterocycles. -% \begin{verbatim} -% **************************** -% * cyclopropane derivatives * -% * (inverse vertical type) * -% **************************** -% The following numbering is adopted in this macro. -% -% /1` <===== the original point -% c / ` a -% 3--------2 -% b -% -% \cyclopropanei[BONDLIST]{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one or more -% characters selected from a to c, each of which indicates the presence of -% an inner (endcyclic) double bond on the corresponding position. -% The option `A' is used for designating an aromatic character with a -% circle. -% The option `$n+$' ($n=1$--$3$) is used for designating a plus charge on -% the $n$-carbon, while -% the case $n=4$--$6$) indicates a plus charge outside the ring. -% The option `0+' draws a plus symbol at the center of the ring. -% \begin{verbatim} -% -% BONDLIST = -% -% none : saturated -% a : 1,2-double bond -% b : 2,3-double bond -% c : 3,1-double bond -% A : aromatic circle -% {n+} : plus at the n-hetero atom (n = 1 to 3) -% : n=4 -- outer plus at 1 position -% : n=5 -- outer plus at 2 position -% : n=6 -- outer plus at 3 position -% {0+} : plus at the center of a cyclopropane ring -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents (max 3 substitution positions) -% -% for n = 1 to 3 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% -% e.g. -% -% \cyclopropanei{1==N}{1==Cl;2==F} -% -% \end{verbatim} -% \changes{v1.02}{1998/10/20}{Newly added command} -% -% \begin{macro}{\cyclopropanei} -% \begin{macro}{\cyclopropenevi} -% \begin{macrocode} -\def\cyclopropanei{\@ifnextchar[{\@cyclopropanei[@}{\@cyclopropanei[]}} -\def\@cyclopropanei[#1]#2{% -\iforigpt \typeout{command `cyclopropanei' % - is based on `threeheteroi'.}\fi% -\threeheteroi[#1]{}{#2}} -\let\cyclopropanevi=\cyclopropanei -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\cyclopropaneh} -% \begin{macrocode} -\def\cyclopropaneh{\@ifnextchar[{\@cyclopropaneh[@}{\@cyclopropaneh[]}} -\def\@cyclopropaneh[#1]#2{% -\iforigpt \typeout{command `cyclopropaneh' % - is based on `threeheteroh'.}\fi% -\threeheteroh[#1]{}{#2}} -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\cyclopropanehi} -% \begin{macrocode} -\def\cyclopropanehi{\@ifnextchar[{\@cyclopropanehi[@}{\@cyclopropanehi[]}} -\def\@cyclopropanehi[#1]#2{% -\iforigpt \typeout{command `cyclopropanehi' % - is based on `threeheterohi'.}\fi% -\threeheterohi[#1]{}{#2}} -% -% \end{macrocode} -% \end{macro} -% -% \Finale -% -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/lowcycle.ins b/Master/texmf-dist/source/latex/xymtex/lowcycle.ins deleted file mode 100644 index eb4ac5abb4c..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/lowcycle.ins +++ /dev/null @@ -1,50 +0,0 @@ -\def\batchfile{lowcycle.ins} -\input docstrip.tex -\preamble - -This is a generated file. - -Copyright 1996,1998 by Shinsaku Fujita - -This file is part of the XyMTeX system. -======================================= - -Version 1.01 Released on August 16, 1996 -Version 1.02 Released on October 31, 1996 (private version) -Version 2.00 Released on December 25, 1998 - -Copyright (C) 1996, 1998 by Shinsaku Fujita, all rights reserved. -This style file is created for drawing chemical structural formulas -This style file is to be contained in the ``xymtex'' directory which -is an input directory for TeX. - -Copying of this file is authorized only if either - - (1) you make absolutely no changes to your copy, including name and - directory name - (2) if you do make changes, - (a) you name it something other than the names included in the - ``xymtex'' directory and - (b) you acknowledge the original name. - This restriction ensures that all standard styles are identical. - -======================================= - -This file contains several codes modified from latex.tex (LaTeX2.09) -and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -Copyright 1994 the LaTeX3 project and the individual authors (For further -copyright information see the file legal.txt of the LaTeX2e standard -distribution, and any other copyright indicated in this file.) - -\endpreamble - -\keepsilent - -\generateFile{lowcycle.drv}{t}{% - \from{lowcycle.dtx}{driver}} - -\generateFile{lowcycle.sty}{t}{% - \from{lowcycle.dtx}{lowcycle}} - -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/methylen.drv b/Master/texmf-dist/source/latex/xymtex/methylen.drv deleted file mode 100644 index 036f42c10d7..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/methylen.drv +++ /dev/null @@ -1,80 +0,0 @@ -%% -%% This is file `methylen.drv', -%% generated with the docstrip utility. -%% -%% The original source files were: -%% -%% methylen.dtx (with options: `driver') -%% -%% This is a generated file. -%% -%% Copyright 1998 by Shinsaku Fujita -%% -%% This file is part of the XyMTeX system. -%% ======================================= -%% -%% Version 1.02 Released on October 31, 1996 (private version) -%% Version 2.00 Released on December 25, 1998 -%% -%% Copyright (C) 1998 by Shinsaku Fujita, all rights reserved. -%% This style file is created for drawing chemical structural formulas -%% This style file is to be contained in the ``xymtex'' directory which -%% is an input directory for TeX. -%% -%% Copying of this file is authorized only if either -%% -%% (1) you make absolutely no changes to your copy, including name and -%% directory name -%% (2) if you do make changes, -%% (a) you name it something other than the names included in the -%% ``xymtex'' directory and -%% (b) you acknowledge the original name. -%% This restriction ensures that all standard styles are identical. -%% -%% ======================================= -%% -%% This file contains several codes modified from latex.tex (LaTeX2.09) -%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -%% Copyright 1994 the LaTeX3 project and the individual authors (For further -%% copyright information see the file legal.txt of the LaTeX2e standard -%% distribution, and any other copyright indicated in this file.) -%% -%% File: methylen.dtx -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -\NeedsTeXFormat{pLaTeX2e} -\ProvidesFile{methylen.dtx}[1998/12/25 v2.00 XyMTeX{} package file] -\documentclass{ltxdoc} -\GetFileInfo{methylen.dtx} -\def\UPSILON{\char'7} -\def\XyM{X\kern-.30em\smash{% -\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}} -\def\XyMTeX{\XyM\kern-.1em\TeX} -\title{Methylene Chains by {\sffamily methylen.sty} -(\fileversion) of \XyMTeX{}} -\author{Shinsaku Fujita \\ -Department of Chemistry and Materials Technology, \\ -Kyoto Institute of Technology, \\ -Matsugasaki, Sakyoku, Kyoto, 606 Japan -} -\date{\filedate} -\begin{document} - \maketitle - \DocInput{methylen.dtx} -\end{document} -\endinput -%% -%% End of file `methylen.drv'. diff --git a/Master/texmf-dist/source/latex/xymtex/methylen.dtx b/Master/texmf-dist/source/latex/xymtex/methylen.dtx deleted file mode 100644 index 7c10c684766..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/methylen.dtx +++ /dev/null @@ -1,5689 +0,0 @@ -% \iffalse meta-comment -%% File: methylen.dtx -% -% Copyright 1998 by Shinsaku Fujita -% -% This file is part of XyMTeX system. -% ------------------------------------- -% -% This file is a part of the macro package ``XyMTeX'' which has been -% designed for typesetting chemical structural formulas. -% -% This file is to be contained in the ``xymtex'' directory which is -% an input directory for TeX. It is a LaTeX optional style file and -% should be used only within LaTeX, because several macros of the file -% are based on LaTeX commands. -% -% For the review of XyMTeX, see -% (1) Shinsaku Fujita, ``Typesetting structural formulas with the text -% formatter TeX/LaTeX'', Computers and Chemistry, in press. -% The following book deals with an application of TeX/LaTeX to -% preparation of manuscripts of chemical fields: -% (2) Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' -% Tokyo Kagaku Dozin, Tokyo (1993) [in Japanese]. -% -% Copying of this file is authorized only if either -% (1) you make absolutely no changes to your copy, including name and -% directory name; or -% (2) if you do make changes, -% (a) you name it something other than the names included in the -% ``xymtex'' directory and -% (b) you are requested to leave this notice intact. -% This restriction ensures that all standard styles are identical. -% -% Please report any bugs, comments, suggestions, etc. to: -% Shinsaku Fujita, -% Department of Chemistry and Materials Technology, -% Kyoto Institute of Technology, \\ -% Matsugasaki, Sakyoku, Kyoto, 606 Japan -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{methylen} -% \def\versi@ndate{October 31, 1998} -% \def\versi@nno{ver1.02} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% -% \fi -% -% \CheckSum{7043} -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -% -% \setcounter{StandardModuleDepth}{1} -% -% \StopEventually{} -% \MakeShortVerb{\|} -% -% \iffalse -% \changes{v1.02}{1998/10/31}{first edition for LaTeX2e} -% \changes{v2.00}{1998/12/25}{enhanced edition for LaTeX2e} -% \fi -% -% \iffalse -%<*driver> -\NeedsTeXFormat{pLaTeX2e} -% \fi -\ProvidesFile{methylen.dtx}[1998/12/25 v2.00 XyMTeX{} package file] -% \iffalse -\documentclass{ltxdoc} -\GetFileInfo{methylen.dtx} -% -% %%XyMTeX Logo: Definition 2%%% -\def\UPSILON{\char'7} -\def\XyM{X\kern-.30em\smash{% -\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}} -\def\XyMTeX{\XyM\kern-.1em\TeX} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\title{Methylene Chains by {\sffamily methylen.sty} -(\fileversion) of \XyMTeX{}} -\author{Shinsaku Fujita \\ -Department of Chemistry and Materials Technology, \\ -Kyoto Institute of Technology, \\ -Matsugasaki, Sakyoku, Kyoto, 606 Japan -} -\date{\filedate} -% -\begin{document} - \maketitle - \DocInput{methylen.dtx} -\end{document} -% -% \fi -% -% \section{Introduction}\label{methylen:intro} -% -% \subsection{Options for {\sffamily docstrip}} -% -% \DeleteShortVerb{\|} -% \begin{center} -% \begin{tabular}{|l|l|} -% \hline -% \emph{option} & \emph{function}\\ \hline -% methylen & methylen.sty \\ -% driver & driver for this dtx file \\ -% \hline -% \end{tabular} -% \end{center} -% \MakeShortVerb{\|} -% -% \subsection{Version Information} -% -% \begin{macrocode} -%<*methylen> -\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00} -\typeout{ -- Released December 25, 1998 by Shinsaku Fujita} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\def\j@urnalname{methylen} -\def\versi@ndate{December 25, 1998} -\def\versi@nno{ver2.00} -\def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>% -\space[\copyrighth@lder]} -% \end{macrocode} -% -% \section{List of commands for methylen.sty} -% -% \begin{verbatim} -% ********************************** -% * methylen.sty: list of commands * -% ********************************** -% -% -% -% \if@adoublebond \if@bdoublebond -% \if@Adoublebond \if@adoublebond} -% \reset@double -% \if@linterchainsw \if@rinterchainsw} -% \reset@interchainsw -% -% -% -% \@methsubsta \@methsubstd \@methsubstdL -% \SKbondA \SKbondB -% \bondA \bondAA -% \bondB \bondBB -% -% -% -% \@@trimethylene -% \@@dimethylene -% -% -% -% \yltrimethyleneposition -% \yldimethyleneposition -% -% -% -% \trimethylene -% \dimethylene -% \tetramethylene -% \pentamethylene -% -% \end{verbatim} -% -% \section{Input of basic macros} -% -% To assure the compatibility to \LaTeX{}2.09 (the native mode), -% the commands added by \LaTeXe{} have not been used in the resulting sty -% files ({\sf polymers.sty} for the present case). Hence, the combination -% of |\input| and |\@ifundefined| is used to crossload sty -% files ({\sf chemstr.sty} etc. for the present case) in place of the -% |\RequirePackage| command of \LaTeXe{}. -% -% \begin{macrocode} -% ************************* -% * input of basic macros * -% ************************* -\@ifundefined{setsixringv}{\input chemstr.sty\relax}{} -\@ifundefined{Westbond}{\input aliphat.sty\relax}{} -\@ifundefined{bzdrv}{\input carom.sty\relax}{} -\@ifundefined{hbonde}{\input hetaromh.sty\relax}{} -\unitlength=0.1pt -% \end{macrocode} -% -% \section{Setting Substituents} -% -% Substitutions on each methylene of a polymethylene chain -% is typeset by macros |\@methsubsta| etc. -% The macro |\@methsubsta| is used to place substituents on an -% upper-side methylene. A new bond modifier ``W'' is added to -% typeset a terminal substituent. -% -% \begin{macro}{\@methsubsta} -% \begin{macrocode} -\newif\if@wrongbdWa \@wrongbdWafalse -\newif\if@wrongbdWd \@wrongbdWdfalse -\newif\if@wrongbdWaL \@wrongbdWaLfalse -\newif\if@wrongbdWdL \@wrongbdWdLfalse -\def\@methsubsta{% -\if@aclip% %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(0,436){\line(0,1){110}}% % single bond at 1 - \putlratom{-31}{563}{\@memberb}% % left or right type - \else\if\@tmpc B%(B) beta - \yl@xdiff=-36\relax - \yl@ydiff=-27\relax - \putlatom{-42}{563}{\@memberb}% % left type - {% - \thicklines% - \put(-18,436){\line(-3,5){60}}% % single bond at 1 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=37\relax - \yl@ydiff=-27\relax - \putratom{41}{563}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(18,436){\line(3,5){60}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(18,436)(72,526)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-36\relax - \yl@ydiff=-27\relax - \putlatom{-42}{563}{\@memberb}% % left type - \put(-18,436){\line(-3,5){60}}% % single bond at 1 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=37\relax - \yl@ydiff=-27\relax - \putratom{41}{563}{\@memberb}% % right type - \put(18,436){\line(3,5){60}}% % single bond at 1 - \fi\fi\fi\fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \put(-12,436){\line(0,1){110}}% % double bond at 1 - \put(12,436){\line(0,1){110}}% % double bond at 1 - \else\if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,436){\line(0,1){110}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,436){\line(0,1){110}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,436)(0,546)}}% - \else\if\@tmpb W%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=46\relax - \if@wrongbdWa - \XyMTeXWarning{Wrong Bond-Modifier (W)}% - \fi - \putratom{150}{276}{\@memberb}% % left or right type - \put(40,382){\line(5,-3){100}}% % single bond at 1 - \else% - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \put(0,436){\line(0,1){110}}% % single bond at 1 - \fi\fi\fi\fi\fi% -\else% % no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(0,406){\line(0,1){140}}% % single bond at 1 - \putlratom{-31}{563}{\@memberb}% % left or right type - \else\if\@tmpc B%(B) beta - \yl@xdiff=-30\relax - \yl@ydiff=-37\relax - \putlatom{-42}{563}{\@memberb}% % left type - {% - \thicklines% - \put(0,406){\line(-3,5){72}}% % single bond at 1 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=31\relax - \yl@ydiff=-37\relax - \putratom{41}{563}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(0,406){\line(3,5){72}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,406)(72,526)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-30\relax - \yl@ydiff=-37\relax - \putlatom{-42}{563}{\@memberb}% % left type - \put(0,406){\line(-3,5){72}}% % single bond at 1 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=31\relax - \yl@ydiff=-37\relax - \putratom{41}{563}{\@memberb}% % right type - \put(0,406){\line(3,5){72}}% % single bond at 1 - \fi\fi\fi\fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \put(-12,406){\line(0,1){140}}% % double bond at 1 - \put(12,406){\line(0,1){140}}% % double bond at 1 - \else\if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,406){\line(0,1){140}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,406){\line(0,1){140}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,406)(0,546)}}% - \else\if\@tmpb W%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=58\relax - \if@wrongbdWa - \XyMTeXWarning{Wrong Bond-Modifier (W)}% - \fi - \putratom{130}{276}{\@memberb}% % left or right type - \put(0,406){\line(5,-3){120}}% % single bond at 1 - \else% - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \put(0,406){\line(0,1){140}}% % single bond at 1 - \fi\fi\fi\fi\fi% - \fi}% -% \end{macrocode} -% \end{macro} -% -% The macro |\@methsubstd| is used to place substituents on a -% down-side methylene. A new bond modifier ``W'' is added to -% typeset a terminal substituent. -% -% \begin{macro}{\@methsubstd} -% \begin{macrocode} -\def\@methsubstd{% -\if@clip %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(0,-30){\line(0,-1){110}}% % single bond at 4 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-36\relax - \yl@ydiff=100\relax - \putlatom{-42}{-230}{\@memberb}% % left type - {% - \thicklines% - \put(-18,-30){\line(-3,-5){60}}% % single bond at 4 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=37\relax - \yl@ydiff=100\relax - \putratom{41}{-230}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(18,-30){\line(3,-5){60}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(18,-30)(72,-120)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-36\relax - \yl@ydiff=100\relax - \putlatom{-42}{-230}{\@memberb}% % left type - \put(-18,-30){\line(-3,-5){60}}% % single bond at 4 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=37\relax - \yl@ydiff=100\relax - \putratom{41}{-230}{\@memberb}% % right type - \put(18,-30){\line(3,-5){60}}% % single bond at 4 - \fi\fi\fi\fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(-12,-30){\line(0,-1){110}}% % double bond at 4 - \put(12,-30){\line(0,-1){110}}% % double bond at 4 - \else\if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,-30){\line(0,-1){110}}% % single bond at 4 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,-30){\line(0,-1){110}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(0,-30)(0,-140)}}% - \else\if\@tmpb W%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=30\relax - \putlratom{150}{54}{\@memberb}% % left or right type - \put(40,24){\line(5,3){100}}% % single bond at 4 - \if@wrongbdWd - \XyMTeXWarning{Wrong Bond-Modifier (W)}% - \fi - \else% - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(0,-30){\line(0,-1){110}}% % single bond at 4 - \fi\fi\fi\fi\fi% - \else% no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(0,0){\line(0,-1){140}}% % single bond at 4 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-30\relax - \yl@ydiff=110\relax - \putlatom{-42}{-230}{\@memberb}% % left type - {% - \thicklines% - \put(0,0){\line(-3,-5){72}}% % single bond at 4 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=31\relax - \yl@ydiff=110\relax - \putratom{41}{-230}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(0,0){\line(3,-5){72}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(0,0)(72,-120)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-30\relax - \yl@ydiff=110\relax - \putlatom{-42}{-230}{\@memberb}% % left type - \put(0,0){\line(-3,-5){72}}% % single bond at 4 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=31\relax - \yl@ydiff=110\relax - \putratom{41}{-230}{\@memberb}% % right type - \put(0,0){\line(3,-5){72}}% % single bond at 4 - \fi\fi\fi\fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(-12,0){\line(0,-1){140}}% % double bond at 4 - \put(12,0){\line(0,-1){140}}% % double bond at 4 - \else\if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,0){\line(0,-1){140}}% % single bond at 4 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,0){\line(0,-1){140}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(0,0)(0,-140)}}% - \else\if\@tmpb W%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=30\relax - \putlratom{150}{54}{\@memberb}% % left or right type - \put(0,0){\line(5,3){140}}% % single bond at 4 - \if@wrongbdWd - \XyMTeXWarning{Wrong Bond-Modifier (W)}% - \fi - \else% - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(0,0){\line(0,-1){140}}% % single bond at 4 - \fi\fi\fi\fi\fi% - \fi}% -% \end{macrocode} -% \end{macro} -% -% The macro |\@methsubstdL| is used to place substituents on a -% left-teminal down-side methylene. A new bond modifier ``W'' is -% added to typeset a terminal substituent. -% -% \begin{macro}{\@methsubstdL} -% \begin{macrocode} -\def\@methsubstdL{% -\if@clip %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(0,-30){\line(0,-1){110}}% % single bond at 4 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-36\relax - \yl@ydiff=100\relax - \putlatom{-42}{-230}{\@memberb}% % left type - {% - \thicklines% - \put(-18,-30){\line(-3,-5){60}}% % single bond at 4 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=37\relax - \yl@ydiff=100\relax - \putratom{41}{-230}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(18,-30){\line(3,-5){60}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(18,-30)(72,-120)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-36\relax - \yl@ydiff=100\relax - \putlatom{-42}{-230}{\@memberb}% % left type - \put(-18,-30){\line(-3,-5){60}}% % single bond at 4 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=37\relax - \yl@ydiff=100\relax - \putratom{41}{-230}{\@memberb}% % right type - \put(18,-30){\line(3,-5){60}}% % single bond at 4 - \fi\fi\fi\fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(-12,-30){\line(0,-1){110}}% % double bond at 4 - \put(12,-30){\line(0,-1){110}}% % double bond at 4 - \else\if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,-30){\line(0,-1){110}}% % single bond at 4 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,-30){\line(0,-1){110}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(0,-30)(0,-140)}}% - \else\if\@tmpb W%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=30\relax - \putlatom{-150}{54}{\@memberb}% % lefttype - \put(-40,24){\line(-5,3){100}}% % single bond at 4 - \if@wrongbdWdL - \XyMTeXWarning{Wrong Bond-Modifier (W)}% - \fi - \else% - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(0,-30){\line(0,-1){110}}% % single bond at 4 - \fi\fi\fi\fi\fi% - \else% no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(0,0){\line(0,-1){140}}% % single bond at 4 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-30\relax - \yl@ydiff=110\relax - \putlatom{-42}{-230}{\@memberb}% % left type - {% - \thicklines% - \put(0,0){\line(-3,-5){72}}% % single bond at 4 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=31\relax - \yl@ydiff=110\relax - \putratom{41}{-230}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(0,0){\line(3,-5){72}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(0,0)(72,-120)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-30\relax - \yl@ydiff=110\relax - \putlatom{-42}{-230}{\@memberb}% % left type - \put(0,0){\line(-3,-5){72}}% % single bond at 4 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=31\relax - \yl@ydiff=110\relax - \putratom{41}{-230}{\@memberb}% % right type - \put(0,0){\line(3,-5){72}}% % single bond at 4 - \fi\fi\fi\fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(-12,0){\line(0,-1){140}}% % double bond at 4 - \put(12,0){\line(0,-1){140}}% % double bond at 4 - \else\if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,0){\line(0,-1){140}}% % single bond at 4 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,0){\line(0,-1){140}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(0,0)(0,-140)}}% - \else\if\@tmpb W%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=30\relax - \putlatom{-150}{54}{\@memberb}% % left type - \put(0,0){\line(-5,3){140}}% % single bond at 4 - \if@wrongbdWdL - \XyMTeXWarning{Wrong Bond-Modifier (W)}% - \fi - \else% - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(0,0){\line(0,-1){140}}% % single bond at 4 - \fi\fi\fi\fi\fi% - \fi}% -% \end{macrocode} -% \end{macro} -% -% The macro |\@methsubstaL| is used to place substituents on a -% left-teminal upper-side methylene. A new bond modifier ``W'' is -% added to typeset a terminal substituent. -% -% \begin{macro}{\@methsubstaL} -% \begin{macrocode} -\def\@methsubstaL{% -\if@aclip% %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(0,436){\line(0,1){110}}% % single bond at 1 - \putlratom{-31}{563}{\@memberb}% % left or right type - \else\if\@tmpc B%(B) beta - \yl@xdiff=-36\relax - \yl@ydiff=-27\relax - \putlatom{-42}{563}{\@memberb}% % left type - {% - \thicklines% - \put(-18,436){\line(-3,5){60}}% % single bond at 1 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=37\relax - \yl@ydiff=-27\relax - \putratom{41}{563}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(18,436){\line(3,5){60}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(18,436)(72,526)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-36\relax - \yl@ydiff=-27\relax - \putlatom{-42}{563}{\@memberb}% % left type - \put(-18,436){\line(-3,5){60}}% % single bond at 1 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=37\relax - \yl@ydiff=-27\relax - \putratom{41}{563}{\@memberb}% % right type - \put(18,436){\line(3,5){60}}% % single bond at 1 - \fi\fi\fi\fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \put(-12,436){\line(0,1){110}}% % double bond at 1 - \put(12,436){\line(0,1){110}}% % double bond at 1 - \else\if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,436){\line(0,1){110}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,436){\line(0,1){110}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,436)(0,546)}}% - \else\if\@tmpb W%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=46\relax - \putlatom{-150}{276}{\@memberb}% % left type - \put(-40,382){\line(-5,-3){100}}% % single bond at 1 - \if@wrongbdWaL - \XyMTeXWarning{Wrong Bond-Modifier (W)}% - \fi - \else% - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \put(0,436){\line(0,1){110}}% % single bond at 1 - \fi\fi\fi\fi\fi% -\else% % no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(0,406){\line(0,1){140}}% % single bond at 1 - \putlratom{-31}{563}{\@memberb}% % left or right type - \else\if\@tmpc B%(B) beta - \yl@xdiff=-30\relax - \yl@ydiff=-37\relax - \putlatom{-42}{563}{\@memberb}% % left type - {% - \thicklines% - \put(0,406){\line(-3,5){72}}% % single bond at 1 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=31\relax - \yl@ydiff=-37\relax - \putratom{41}{563}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(0,406){\line(3,5){72}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,406)(72,526)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-30\relax - \yl@ydiff=-37\relax - \putlatom{-42}{563}{\@memberb}% % left type - \put(0,406){\line(-3,5){72}}% % single bond at 1 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=31\relax - \yl@ydiff=-37\relax - \putratom{41}{563}{\@memberb}% % right type - \put(0,406){\line(3,5){72}}% % single bond at 1 - \fi\fi\fi\fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \put(-12,406){\line(0,1){140}}% % double bond at 1 - \put(12,406){\line(0,1){140}}% % double bond at 1 - \else\if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,406){\line(0,1){140}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,406){\line(0,1){140}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,406)(0,546)}}% - \else\if\@tmpb W%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=58\relax - \putlatom{-130}{276}{\@memberb}% % left type - \put(0,406){\line(-5,-3){120}}% % single bond at 1 - \if@wrongbdWaL - \XyMTeXWarning{Wrong Bond-Modifier (W)}% - \fi - \else% - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \put(0,406){\line(0,1){140}}% % single bond at 1 - \fi\fi\fi\fi\fi% - \fi}% -% \end{macrocode} -% \end{macro} -% -% \section{Setting Bonds} -% \subsection{Outer Skeletal Bonds} -% -% The macros |\SKbondB| and |\SKbondA| are used to typeset -% outer skeletal bonds of a methylene chain (|\..methylene|) -% -% \begin{macro}{\SKbondB} -% \begin{macrocode} -\def\SKbondB{% - \ifx\bbb\empty% - \ifx\ccc\empty% - \put(0,406){\line(5,-3){171}}% %bond 1-2 - \else% - \put(0,406){\line(5,-3){136}}% %bond 1-2 - \fi% - \else% - \ifx\ccc\empty% - \put(35,385){\line(5,-3){136}}% %bond 1-2 - \else% - \put(35,385){\line(5,-3){100}}% %bond 1-2 - \fi% - \fi}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\SKbondA} -% \begin{macrocode} -\def\SKbondA{% - \ifx\bbb\empty% - \ifx\aaa\empty% - \put(0,406){\line(-5,-3){171}}% %bond 1-6 - \else% - \put(0,406){\line(-5,-3){136}}% %bond 1-6 - \fi% - \else% - \ifx\aaa\empty% - \put(-35,385){\line(-5,-3){136}}% %bond 1-6 - \else% - \put(-35,385){\line(-5,-3){100}}% %bond 1-6 - \fi% - \fi}% -% \end{macrocode} -% \end{macro} -% -% The macros |\SKbondBi| and |\SKbondAi| are used to typeset -% outer skeletal bonds of a methylene chain (inverse type |\..methylenei|). -% -% \begin{macro}{\SKbondBi} -% \begin{macrocode} -\def\SKbondBi{% - \begin{picture}(0,0)(0,0) - \ifx\bbb\empty% - \ifx\ccc\empty% - \put(0,0){\line(5,3){171}}% %bond 4-3 - \else% - \put(0,0){\line(5,3){136}}% %bond 4-3 - \fi% - \else% - \ifx\ccc\empty% - \put(35,21){\line(5,3){138}}% %bond 4-3 - \else% - \put(35,21){\line(5,3){100}}% %bond 4-3 - \fi% - \fi\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\SKbondAi} -% \begin{macrocode} -\def\SKbondAi{% - \begin{picture}(0,0)(0,0) - \ifx\bbb\empty% - \ifx\aaa\empty% - \put(0,0){\line(-5,3){171}}% %bond 4-5 - \else% - \put(0,0){\line(-5,3){136}}% %bond 4-5 - \fi% - \else% - \ifx\aaa\empty% - \put(-35,21){\line(-5,3){138}}% %bond 4-5 - \else% - \put(-35,21){\line(-5,3){100}}% %bond 4-5 - \fi% - \fi\end{picture}}% -% \end{macrocode} -% \end{macro} -% -% \subsection{Inner Double Bonds} -% -% The macros |\bondB| is used to place a line of -% a double bond in the (5,-3) direction at the lower side -% of an outer skeletal bond. -% -% \begin{macro}{\bondB} -% \begin{macrocode} -\def\bondB{% - \ifx\bbb\empty% - \ifx\ccc\empty% - \put(6,364){\line(5,-3){126}}% %double bond 1-2 - \else% - \put(6,364){\line(5,-3){100}}% %double bond 1-2 - \fi% - \else% - \ifx\ccc\empty% - \put(35,340){\line(5,-3){100}}% %double bond 1-2 - \else% - \put(35,352){\line(5,-3){100}}% %double bond 1-2 - \fi% % line <1OO not available - \fi% - }% -% \end{macrocode} -% \end{macro} -% -% The macros |\bondBB| is used to place a line of -% a double bond in the (5,-3) direction at the upper side -% of an outer skeletal bond. -% -% \begin{macro}{\bondBB} -% \begin{macrocode} -\def\bondBB{% - \ifx\bbb\empty% - \ifx\ccc\empty% - \put(42,420){\line(5,-3){126}}% %double bond 1-2 - \else% - \put(42,420){\line(5,-3){100}}% %double bond 1-2 - \fi% - \else% - \ifx\ccc\empty% - \put(52,412){\line(5,-3){110}}% %double bond 1-2 - \else% - \put(52,412){\line(5,-3){100}}% %double bond 1-2 - \fi% % line <1OO not available - \fi% - }% -% \end{macrocode} -% \end{macro} -% -% The macros |\bondA| is used to place a line of -% a double bond in the (-5,-3) direction at the lower -% side of an outer skeletal bond. -% -% \begin{macro}{\bondA} -% \begin{macrocode} -\def\bondA{% - \ifx\bbb\empty% - \ifx\aaa\empty% - \put(-6,364){\line(-5,-3){126}}% %double bond 1-6 - \else% - \put(-6,364){\line(-5,-3){100}}% %double bond 1-6 - \fi% - \else% - \ifx\aaa\empty% - \put(-35,340){\line(-5,-3){100}}% %double bond 1-6 - \else% - \put(-35,352){\line(-5,-3){100}}% %double bond 1-6 - \fi% % line <1OO not available - \fi% -}% -% \end{macrocode} -% \end{macro} -% -% The macros |\bondAA| is used to place a line of -% a double bond in the (-5,-3) direction at the upper side -% of an outer skeletal bond. -% -% \begin{macro}{\bondAA} -% \begin{macrocode} -\def\bondAA{% - \ifx\bbb\empty% - \ifx\aaa\empty% - \put(-42,420){\line(-5,-3){126}}% %double bond 1-6 - \else% - \put(-42,420){\line(-5,-3){100}}% %double bond 1-6 - \fi% - \else% - \ifx\aaa\empty% - \put(-52,412){\line(-5,-3){100}}% %double bond 1-6 - \else% - \put(-52,412){\line(-5,-3){100}}% %double bond 1-6 - \fi% % line <1OO not available - \fi% -}% -% \end{macrocode} -% \end{macro} -% -% The bond-setting commands with sufix ``i'' are used in the definitions -% of commands such as |\...methylenei|. -% -% The macros |\bondBi| is used to place a line of -% a double bond in the (5,3) direction at the upper side -% of an outer skeletal bond. -% -% \begin{macro}{\bondBi} -% \begin{macrocode} - \def\bondBi{% - \ifx\bbb\empty% - \ifx\ccc\empty% - \put(6,42){\line(5,3){126}} %double bond 4-3 - \else% - \put(6,42){\line(5,3){100}} %double bond 4-3 - \fi% - \else% - \ifx\ccc\empty% - \put(35,66){\line(5,3){100}}% %double bond 4-3 - \else% - \put(35,60){\line(5,3){100}}% %double bond 4-3 - \fi% % line <1OO not available - \fi% -}% -% \end{macrocode} -% \end{macro} -% -% The macros |\bondBBi| is used to place a line of -% a double bond in the (5,3) direction at the lower -% side of an outer skeletal bond. -% -% \begin{macro}{\bondBBi} -% \begin{macrocode} - \def\bondBBi{% - \ifx\bbb\empty% - \ifx\ccc\empty% -% \put(6,42){\line(5,3){126}} %double bond 4-3 - \put(42,-14){\line(5,3){126}}% %double bond 1-6 - \else% -% \put(6,42){\line(5,3){100}} %double bond 4-3 -% \put(42,-14){\line(5,3){100}}% %double bond 1-6 - \put(30,-14){\line(5,3){100}}% %double bond 1-6 - \fi% - \else% - \ifx\ccc\empty% -% \put(35,66){\line(5,3){100}}% %double bond 4-3 -% \put(52,6){\line(5,3){100}}% %double bond 1-6 - \put(52,0){\line(5,3){100}}% %double bond 1-6 - \else% -% \put(35,60){\line(5,3){100}}% %double bond 4-3 - \put(52,0){\line(5,3){100}}% %double bond 4-5 - \fi% % line <1OO not available - \fi% -}% -% \end{macrocode} -% \end{macro} -% -% The macros |\bondAi| is used to place a line of -% a double bond in the (-5,3) direction at the upper -% side of an outer skeletal bond. - -% \begin{macro}{\bondAi} -% \begin{macrocode} - \def\bondAi{% - \ifx\bbb\empty% - \ifx\aaa\empty% - \put(-6,42){\line(-5,3){126}}% %double bond 4-5 - \else% - \put(-6,42){\line(-5,3){100}}% %double bond 4-5 - \fi% - \else% - \ifx\aaa\empty% - \put(-35,66){\line(-5,3){100}}% %double bond 4-5 - \else% - \put(-35,60){\line(-5,3){100}}% %double bond 4-5 - \fi% % line <1OO not available - \fi% - }% -% \end{macrocode} -% \end{macro} -% -% The macros |\bondAAi| is used to place a line of -% a double bond in the (-5,3) direction at the lower -% side of an outer skeletal bond. -% -% \begin{macro}{\bondAAi} -% \begin{macrocode} - \def\bondAAi{% - \ifx\bbb\empty% - \ifx\aaa\empty% -% \put(-6,42){\line(-5,3){126}}% %double bond 4-5 - \put(-42,-14){\line(-5,3){126}}% %double bond 1-6 - \else% -% \put(-6,42){\line(-5,3){100}}% %double bond 4-5 - \put(-42,-14){\line(-5,3){100}}% %double bond 1-6 - \fi% - \else% - \ifx\aaa\empty% -% \put(-35,66){\line(-5,3){100}}% %double bond 4-5 - \put(-52,6){\line(-5,3){100}}% %double bond 1-6 - \else% -% \put(-35,60){\line(-5,3){100}}% %double bond 4-5 - \put(-52,0){\line(-5,3){100}}% %double bond 4-5 - \fi% % line <1OO not available - \fi% - }% -% \end{macrocode} -% \end{macro} -% -% \section{Switches} -% -% \begin{macro}{\if@adoublebond} -% \begin{macro}{\if@bdoublebond} -% \begin{macro}{\if@Adoublebond} -% \begin{macro}{\if@adoublebond} -% \begin{macro}{\reset@double} -% \begin{macrocode} -\newif\if@adoublebond \@adoublebondfalse -\newif\if@bdoublebond \@bdoublebondfalse -\newif\if@Adoublebond \@Adoublebondfalse -\newif\if@Bdoublebond \@Bdoublebondfalse -\def\reset@double{% -\@adoublebondfalse\@bdoublebondfalse -\@Adoublebondfalse\@Bdoublebondfalse} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\if@linterchainsw} -% \begin{macro}{\if@rinterchainsw} -% \begin{macro}{\reset@interchainsw} -% \begin{macrocode} -\newif\if@linterchainsw \@linterchainswfalse -\newif\if@rinterchainsw \@rinterchainswfalse -\def\reset@interchainsw{\@linterchainswfalse\@rinterchainswfalse} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \section{Trimethylene} -% \subsection{Normal direction} -% -% A trimethylene (or propane) and its hetera analogs can be typeset -% by the command |\trimethylene|, which is mainly based on -% two inner commands: |\yltrimethyleneposition| for adjusting a -% substitution site and |\@@trimethylene| for -% placing hetero atoms, double bonds, and substituents. -% -% \begin{macro}{\@@trimethylene} -% \begin{verbatim} -% \@@trimethylene{ATOMLIST}{BONDLIST}{TERMswitch}{Adjust} -% -% -% 0: all positions -% 1: positions bbb and ccc -% 2: positions aaa and bbb -% -% bbb -% 2 -% a / ` b -% 1 3 -% aaa ccc -% -% -% a positive or negative integer to adjust locant numbers -% \end{verbatim} -% -% \begin{macrocode} -\def\@@trimethylene#1#2#3#4{% -\leavevmode -\iniatom\iniflag%initialize -\test@vrtx@trimethy{#1}{#4}% -%\test@vertix@sixv{#1}{a}{b}{c}{@}{@}{@}% -\begin{picture}(450,480)(0,0) -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% - \put(171,-303){\SKbondB}% bond between 1 and 2 - \put(171,-303){\SKbondA}% bond between 1 and 6 -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\if@adoublebond\relax\put(171,-303){\bondA}\fi -\if@bdoublebond\relax\put(171,-303){\bondB}\fi -\if@Adoublebond\relax\put(171,-303){\bondAA}\fi -\if@Bdoublebond\relax\put(171,-303){\bondBB}\fi -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\test@termcnt=#3\relax -%\set@hetatom@methyl{#1}{0}{0}{4}{0}% -\set@hetatom@methyl{#1}{#4}{0}{4}{0}% -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax -\ifx\@memberb\@yl\else -\ifcase\@tmpaa%0 omit -\or - \ifcase#3 - {\if@aclip \@cliptrue \else \@clipfalse\fi - \put(0,0){\@methsubstdL}}% - \or\relax - \or - {\if@aclip \@cliptrue \else \@clipfalse\fi - \put(0,0){\@methsubstdL}}% - \fi -\or -{\if@bclip \@acliptrue \else \@aclipfalse\fi - \put(171,-303){\@methsubsta}} -\or - \ifcase#3 - {\if@cclip \@cliptrue\else \@clipfalse\fi - \put(342,0){\@methsubstd}}% - \or - {\if@cclip \@cliptrue\else \@clipfalse\fi - \put(342,0){\@methsubstd}}% - \or\relax - \fi -\fi%end of ifcase -\fi\fi -}% -\end{picture}}% end of \@@trimethylene -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\test@vrtx@trimethy} -% \changes{v2.00}{1998/12/21}{New command: \cs{test@vrtx@trimethy}} -% \begin{macrocode} -\def\test@vrtx@trimethy#1#2{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\@tmpaa=\@tmpa \advance\@tmpaa by#2\relax -\ifcase\@tmpaa% - \or \if\@tmpb s\relax \xdef\aaa{}\else\if\@tmpb h\relax - \xdef\aaa{@}\else\xdef\aaa{@}\fi\fi - \or \if\@tmpb s\relax \xdef\bbb{}\else\if\@tmpb h\relax - \xdef\bbb{@}\else\xdef\bbb{@}\fi\fi - \or \if\@tmpb s\relax \xdef\ccc{}\else\if\@tmpb h\relax - \xdef\ccc{@}\else\xdef\ccc{@}\fi\fi -\fi\fi}} -% \end{macrocode} -% \end{macro} -% -% The |\yltrimethyleneposition| is used to adjust -% substitution sites for the command |\@@trimethylene|. -% -% \begin{macro}{\yltrimethyleneposition} -% \begin{verbatim} -% \yltrimethylene{ATOMLIST}{BONDLIST}{TERMswitch}{Adjust} -% -% -% 0: all positions -% 1: positions bbb and ccc -% 2: positions aaa and bbb -% -% bbb -% 2 -% a / ` b -% 1 3 -% aaa ccc -% -% -% a positive or negative integer to adjust locant numbers -% \end{verbatim} -% -% \begin{macrocode}% -\def\yltrimethyleneposition#1#2#3#4{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax -\ifcase\@tmpaa% - \or \def\aaa{@}%\def\aaa{\@memberb}% - \or \def\bbb{@}%\def\bbb{\@memberb}% - \or \def\ccc{@}%\def\ccc{\@memberb}% -\fi\fi}% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#2\do{\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpaa%0 omit -\or - \ifcase#3 - \ifx\aaa\empty - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1 - \else - \if@linterchainsw%interchain position - \gdef\@ylii{0}\gdef\@yli{40}\global\@ylswtrue% subst. on 1 - \else% terminal position - \gdef\@ylii{40}\gdef\@yli{-24}\global\@ylswtrue% subst. on 1 - \fi - \fi - \or\relax - \or - \ifx\aaa\empty - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1 - \else - \if@linterchainsw%interchain position - \gdef\@ylii{0}\gdef\@yli{40}\global\@ylswtrue% subst. on 1 - \else% terminal position - \gdef\@ylii{40}\gdef\@yli{-24}\global\@ylswtrue% subst. on 1 - \fi - \fi - \fi -\or - \ifx\bbb\empty - \gdef\@ylii{-171}\gdef\@yli{-103}\global\@ylswtrue% subst. on 2 - \else - \gdef\@ylii{-171}\gdef\@yli{-133}\global\@ylswtrue% subst. on 2 - \fi -\or - \ifcase#3 - \ifx\ccc\empty - \gdef\@ylii{-342}\gdef\@yli{0}\global\@ylswtrue% subst. on 3 - \else - \if@rinterchainsw%interchain position - \gdef\@ylii{-342}\gdef\@yli{40}\global\@ylswtrue% subst. on 3 - \else - \gdef\@ylii{-382}\gdef\@yli{-24}\global\@ylswtrue% subst. on 3 - \fi - \fi - \or - \ifx\ccc\empty - \gdef\@ylii{-342}\gdef\@yli{0}\global\@ylswtrue% subst. on 3 - \else - \if@rinterchainsw%interchain position - \gdef\@ylii{-342}\gdef\@yli{40}\global\@ylswtrue% subst. on 3 - \else - \gdef\@ylii{-382}\gdef\@yli{-24}\global\@ylswtrue% subst. on 3 - \fi - \fi - \or\relax - \fi -\fi%end of ifcase -\fi}}% end of \yltrimethyleneposition -% \end{macrocode} -% \end{macro} -% -% The counter |\test@termcnt|, which is equal to -% the argument \#3 of command |\@@trimethylene|, -% is used for testing a terminal point. -% -% \begin{macro}{\test@termcnt} -% \changes{v2.00}{1998/12/21}{New command: \cs{test@termcnt}} -% \begin{macrocode} -\newcount\test@termcnt -% \end{macrocode} -% \end{macro} -% -% The |\set@hetatom@methyl| is used to set a hetero atom -% at each vertex in the command |\@@trimethylene|. -% -% \begin{macro}{\set@hetatom@methyl} -% \changes{v2.00}{1998/12/20}{New command: \cs{set@hetatom@methyl}} -% \begin{macrocode} -\def\set@hetatom@methyl#1#2#3#4#5{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -%\expandafter\twoch@r\@membera{}% -\expandafter\twoCH@R\@membera//% -\ifnum#5 < 0\relax% -\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax% -\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax \fi -\ifnum\@tmpaa >#3\relax% -\ifnum\@tmpaa <#4\relax% -\ifcase\@tmpaa% -\or%position 1 <--- position 6 of set@hetatom@sixv - \ifnum\test@termcnt=1\else%not terminal point (left) - \if\@tmpb h\relax% - \@acliptrue% - \putlatom{0}{30}{\@memberb}% % right type - \else\if\@tmpb s\relax% - \@aclipfalse% -% \putlatom{-4}{0}{\@memberb}% % right type - \putlatom{0}{0}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@acliptrue% - \putlatom{36}{-23}{\@memberb}% % left type - \fi\fi\fi - \fi -\or%position 2 <--- position 1 of set@hetatom@sixv - \if\@tmpb h\relax% - \@bcliptrue% - \putratom{171}{53}{\@memberb}% % right type - \else\if\@tmpb s\relax% - \@bclipfalse% - \putratom{171}{103}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@bcliptrue% -% \putratom{140}{53}{\@memberb}% % right type - \putratom{140}{65}{\@memberb}% % right type - \fi\fi\fi -\or%position 3 <--- position 2 of set@hetatom@sixv - \ifnum\test@termcnt=2\else%not terminal point (right) - \if\@tmpb h\relax - \@ccliptrue% -% \putratom{320}{30}{\@memberb}% % right type - \putratom{330}{30}{\@memberb}% % right type - \else\if\@tmpb s\relax - \@cclipfalse% - \putratom{346}{0}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@ccliptrue% - \putratom{306}{-23}{\@memberb}% % right type - \fi\fi\fi - \fi -\fi% end of ifcase -\fi\fi\fi}}% end of the macro \set@hetatom@methyl -% \end{macrocode} -% \end{macro} -% -% The macro |\trimethylene| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% -% \begin{macro}{\trimethylene} -% \begin{macro}{\@trimethylene} -% -% \begin{verbatim} -% -% bbb -% 2 -% a / ` b (or uppercase letters) -% / ` -% 1 3 -% aaa ccc -% \end{verbatim} -% -% -% \begin{verbatim} -% \trimethylene[BONDLIST]{ATOMLIST}{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one character a, A, b, or B -% each of which indicates the presence of an inner (endcyclic) double -% bond on the corresponding position. A lowercase letter is used -% to typeset a double bond at a lower-side of an outer skeletal bond, -% while an uppercase letter typesets a double bond at a upper-side of -% an outer skeletal bond. -% (Note that the option `A' represents an aromatic circle in -% commands |\sixheterov| etc. -% -% \begin{verbatim} -% BONDLIST = -% -% [] or none : no double bond -% a : 1,2-double bond -% A : 1,2-double bond in an opposite side -% b : 2,3-double bond -% B : 1,2-double bond in an opposite side -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% ATOMLIST: list of heteroatoms (max 3 atoms) -% -% for n = 1 to 3 -% -% n==? : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 3 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% nW : terminal single bond (n=1 or 3) -% -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \trimethylene{1==N}{1==Cl;2==F} -% \trimethylene[b]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% The definition of |\trimethylene| uses a picture environment and -% consists of the following unit processes: -% \begin{enumerate} -% \item adjusting substitution site by -% |\yltrimethyleneposition| -% \item treating atom list, -% placing outer skeletons, inner double bonds, -% setting hetero atoms, and -% placing substituents by |\@@trimethylene|. -% \end{enumerate} -% -% \begin{macrocode} -\def\trimethylene{% -\@ifnextchar[{\@trimethylene[@}{\@trimethylene[]}} -\def\@trimethylene[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -\reset@interchainsw% -\yltrimethyleneposition{#2}{#3}{0}{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(450,480)(-50,-180) - \iforigpt \put(-50,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `trimethylene' origin: % - (0,0) ---> (50,180)}\fi% -\fi -\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member b\relax -\@bdoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else\if\member B\relax -\@Bdoublebondtrue -\else - \expandafter\twoCH@@R\member//% - \set@fusion@trimeth -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdfalse - \put(0,0){\@@trimethylene{#2}{#3}{0}{0}}% -\end{picture}}% end of \trimethylene \@trimethylene -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The inner command |\set@fusion@trimeth| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@trimeth} -% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@trimeth}} -% \begin{macrocode} -\def\set@fusion@trimeth{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% -\if\@@tmpa a\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa b\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{342}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \fi\fi\fi\fi -}% end of the macro \set@fusion@trimeth -% \end{macrocode} -% \end{macro} -% -% \subsection{Inverse direction} -% -% A trimethylene (or propane) and its hetera analogs can be typeset -% by the command |\trimethylenei|, which is mainly based on -% two inner commands: |\yltrimethyleneiposition| for adjusting a -% substitution site and |\@@trimethylenei| for -% placing hetero atoms, double bonds, and substituents. -% -% \begin{macro}{\@@trimethylenei} -% \begin{verbatim} -% \@@trimethylenei{ATOMLIST}{BONDLIST}{TERMswitch}{Adjust} -% -% -% 0: all positions -% 1: positions bbb and ccc -% 2: positions aaa and bbb -% -% aaa ccc -% 1 3 -% a ` / b -% ` / -% 2 -% bbb -% -% -% a positive or negative integer to adjust locant numbers -% \end{verbatim} -% -% \begin{macrocode} -\def\@@trimethylenei#1#2#3#4{% -\leavevmode -\iniatom\iniflag%initialize -\test@vrtx@trimethy{#1}{#4}% -%\test@vertix@sixv{#1}{a}{b}{c}{@}{@}{@}% -\begin{picture}(450,480)(0,0) -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% - \put(171,0){\SKbondAi}% bond between 1 and 2 - \put(171,0){\SKbondBi}% bond between 2 and 3 -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\if@adoublebond\relax\put(171,0){\bondAi}\fi -\if@bdoublebond\relax\put(171,0){\bondBi}\fi -\if@Adoublebond\relax\put(171,0){\bondAAi}\fi -\if@Bdoublebond\relax\put(171,0){\bondBBi}\fi -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\test@termcnt=#3\relax -%\set@hetatom@methyli{#1}{0}{0}{4}{0}% -\set@hetatom@methyli{#1}{#4}{0}{4}{0}% -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax -\ifx\@memberb\@yl\else -\ifcase\@tmpaa%0 omit -\or - \ifcase#3 - \put(0,-303){\@methsubstaL}% - \or\relax - \or - \put(0,-303){\@methsubstaL}% - \fi -\or -{\if@bclip \@cliptrue \else \@clipfalse\fi - \put(171,0){\@methsubstd}}% -\or - \ifcase#3 - {\if@cclip \@acliptrue\else \@aclipfalse\fi - \put(342,-303){\@methsubsta}}% - \or - {\if@cclip \@acliptrue\else \@aclipfalse\fi - \put(342,-303){\@methsubsta}}% - \or\relax - \fi -\fi%end of ifcase -\fi\fi -}% -\end{picture}}% end of \@@trimethylenei -% \end{macrocode} -% \end{macro} -% -% The |\yltrimethyleneiposition| is used to adjust -% substitution sites. -% -% \begin{macro}{\yltrimethyleneiposition} -% \begin{verbatim} -% \yltrimethylenei{ATOMLIST}{BONDLIST}{TERMswitch}{Adjust} -% -% -% 0: all positions -% 1: positions bbb and ccc -% 2: positions aaa and bbb -% -% aaa ccc -% 1 3 -% a ` / b -% ` / -% 2 -% bbb -% -% -% a positive or negative integer to adjust locant numbers -% \end{verbatim} -% -% \begin{macrocode}% -\def\yltrimethyleneiposition#1#2#3#4{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -%\expandafter\twoch@r\@membera{}% -\expandafter\twoCH@R\@membera//% -\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax -\ifcase\@tmpaa% - \or \def\aaa{@}%\def\aaa{\@memberb}% - \or \def\bbb{@}%\def\bbb{\@memberb}% - \or \def\ccc{@}%\def\ccc{\@memberb}% -\fi% -\fi}% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#2\do{\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpaa%0 omit -\or%%%%%%position 1 - \ifcase#3 - \ifx\aaa\empty -%% \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1 - \gdef\@ylii{0}\gdef\@yli{-103}\global\@ylswtrue% subst. on 1 - \else - \if@linterchainsw%interchain position -% \gdef\@ylii{0}\gdef\@yli{40}\global\@ylswtrue% subst. on 1 - \gdef\@ylii{0}\gdef\@yli{-133}\global\@ylswtrue% subst. on 1 - \else% terminal position -%% \gdef\@ylii{40}\gdef\@yli{-24}\global\@ylswtrue% subst. on 1 - \gdef\@ylii{40}\gdef\@yli{-79}\global\@ylswtrue% subst. on 1 - \fi - \fi - \or\relax - \or - \ifx\aaa\empty -%% \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1 - \gdef\@ylii{0}\gdef\@yli{-103}\global\@ylswtrue% subst. on 1 - \else - \if@linterchainsw%interchain position - \gdef\@ylii{0}\gdef\@yli{-133}\global\@ylswtrue% subst. on 1 -% \gdef\@ylii{0}\gdef\@yli{40}\global\@ylswtrue% subst. on 1 - \else% terminal position -%% \gdef\@ylii{40}\gdef\@yli{-24}\global\@ylswtrue% subst. on 1 - \gdef\@ylii{40}\gdef\@yli{-79}\global\@ylswtrue% subst. on 1 - \fi - \fi - \fi -\or%%%%%%%%position 2 - \ifx\bbb\empty -%% \gdef\@ylii{-171}\gdef\@yli{-103}\global\@ylswtrue% subst. on 2 - \gdef\@ylii{-171}\gdef\@yli{0}\global\@ylswtrue% subst. on 2 - \else -%% \gdef\@ylii{-171}\gdef\@yli{-133}\global\@ylswtrue% subst. on 2 - \gdef\@ylii{-171}\gdef\@yli{50}\global\@ylswtrue% subst. on 2 - \fi -\or%%%%%%%%position 3 - \ifcase#3 - \ifx\ccc\empty -%% \gdef\@ylii{-342}\gdef\@yli{0}\global\@ylswtrue% subst. on 3 - \gdef\@ylii{-342}\gdef\@yli{-103}\global\@ylswtrue% subst. on 3 - \else - \if@rinterchainsw%interchain position -%% \gdef\@ylii{-342}\gdef\@yli{40}\global\@ylswtrue% subst. on 3 - \gdef\@ylii{-342}\gdef\@yli{-133}\global\@ylswtrue% subst. on 3 - \else -%% \gdef\@ylii{-382}\gdef\@yli{-24}\global\@ylswtrue% subst. on 3 - \gdef\@ylii{-382}\gdef\@yli{-79}\global\@ylswtrue% subst. on 3 - \fi - \fi - \or - \ifx\ccc\empty -% \gdef\@ylii{-342}\gdef\@yli{0}\global\@ylswtrue% subst. on 3 - \gdef\@ylii{-342}\gdef\@yli{-103}\global\@ylswtrue% subst. on 3 - \else - \if@rinterchainsw%interchain position -% \gdef\@ylii{-342}\gdef\@yli{40}\global\@ylswtrue% subst. on 3 - \gdef\@ylii{-342}\gdef\@yli{-133}\global\@ylswtrue% subst. on 3 - \else -% \gdef\@ylii{-382}\gdef\@yli{-24}\global\@ylswtrue% subst. on 3 - \gdef\@ylii{-382}\gdef\@yli{-79}\global\@ylswtrue% subst. on 3 - \fi - \fi - \or\relax - \fi -\fi%end of ifcase -\fi}}% end of \yltrimethyleneiposition -% \end{macrocode} -% \end{macro} -% -% The |\set@hetatom@methyli| is used to set a hetero atom -% at each vertex in the command |\@@trimethylenei|. -% -% \begin{macro}{\set@hetatom@methyli} -% \changes{v2.00}{1998/12/20}{New command: \cs{set@hetatom@methyli}} -% \begin{macrocode} -\def\set@hetatom@methyli#1#2#3#4#5{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifnum#5 < 0\relax% -\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax% -\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax \fi -\ifnum\@tmpaa >#3\relax% -\ifnum\@tmpaa <#4\relax% -\ifcase\@tmpaa% -\or%position 1 <-- \set@hetatom@sixv position 5 - \ifnum\test@termcnt=1\else%not terminal point (left) - \if\@tmpb h\relax - \@acliptrue% - \putlatom{0}{70}{\@memberb}% % right type - \else\if\@tmpb s\relax - \@aclipfalse% - \putlatom{0}{103}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@acliptrue% - \putlatom{36}{65}{\@memberb}% % left type - \fi\fi\fi - \fi -\or%position 2 <-- \set@hetatom@sixv position 4 - \if\@tmpb h\relax - \@bcliptrue% - \putratom{171}{50}{\@memberb}% % right type - \else\if\@tmpb s\relax - \@bclipfalse% - \putratom{171}{0}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@bcliptrue% -% \putratom{140}{-10}{\@memberb}% % right type - \putratom{140}{-23}{\@memberb}% % right type - \fi\fi\fi -\or%position 3 <-- \set@hetatom@sixv position 3 - \ifnum\test@termcnt=2\else%not terminal point (right) - \if\@tmpb h\relax - \@ccliptrue% - \putratom{342}{70}{\@memberb}% % right type - \else\if\@tmpb s\relax - \@cclipfalse% - \putratom{342}{103}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@ccliptrue% - \putratom{306}{65}{\@memberb}% % right type - \fi\fi\fi - \fi -\fi% end of ifcase -\fi\fi\fi}}% end of the macro \set@hetatom@methyli -% \end{macrocode} -% \end{macro} -% -% The macro |\trimethylenei| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% -% \begin{macro}{\trimethylenei} -% \begin{macro}{\@trimethylenei} -% -% \begin{verbatim} -% aaa ccc -% 1 3 -% a ` / b (or uppercase letters) -% ` / -% 2 -% bbb -% \end{verbatim} -% -% -% \begin{verbatim} -% \trimethylenei[BONDLIST]{ATOMLIST}{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one character a, A, b, or B -% each of which indicates the presence of an inner (endcyclic) double -% bond on the corresponding position. A lowercase letter is used -% to typeset a double bond at a upper-side of an outer skeletal bond, -% while a uppercase letter typesets a double bond at a lower-side of -% an outer skeletal bond. -% (Note that the option `A' represents an aromatic circle in -% commands |\sixheterov| etc. -% -% \begin{verbatim} -% BONDLIST = -% -% [] or none : no double bond -% a : 1,2-double bond -% A : 1,2-double bond in an opposite side -% b : 2,3-double bond -% B : 1,2-double bond in an opposite side -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% ATOMLIST: list of heteroatoms (max 3 atoms) -% -% for n = 1 to 3 -% -% n==? : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 3 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% nW : terminal single bond (n=1 or 3) -% -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \trimethylenei{1==N}{1==Cl;2==F} -% \trimethylenei[b]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% The definition of |\trimethylene| uses a picture environment and -% consists of the following unit processes: -% \begin{enumerate} -% \item adjusting substitution site by -% |\yltrimethyleneiposition| -% \item treating atom list, -% placing outer skeletons, inner double bonds, -% setting hetero atoms, and -% placing substituents by |\@@trimethylenei|. -% \end{enumerate} -% -% \begin{macrocode} -\def\trimethylenei{% -\@ifnextchar[{\@trimethylenei[@}{\@trimethylenei[]}} -\def\@trimethylenei[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -\reset@interchainsw% -\yltrimethyleneiposition{#2}{#3}{0}{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(450,480)(-50,-180) - \iforigpt \put(-50,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `trimethylene' origin: % - (0,0) ---> (50,180)}\fi% -\fi -\reset@double% -%\@adoublebondfalse -%\@bdoublebondfalse -%\@Adoublebondfalse -%\@Bdoublebondfalse -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member b\relax -\@bdoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else\if\member B\relax -\@Bdoublebondtrue -\else - \expandafter\twoCH@@R\member//% - \set@fusion@trimethi -\fi\fi\fi\fi}% -\@wrongbdWafalse -\@wrongbdWdtrue - \put(0,0){\@@trimethylenei{#2}{#3}{0}{0}}% -\end{picture}}% end of \trimethylenei -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The inner command |\set@fusion@trimethi| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@trimethi} -% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@trimethi}} -% \begin{macrocode} -\def\set@fusion@trimethi{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% -\if\@@tmpa a\relax% - \putlratom{0}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{171}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa b\relax% - \putlratom{171}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{342}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \fi\fi\fi\fi -}% end of the macro \set@fusion@trimethi -% \end{macrocode} -% \end{macro} -% -% \section{Dimethylene} -% \subsection{Normal direction} -% -% A dimethylene (or ethane) and its hetera analogs can be typeset -% by the command |\dimethylene|, which is mainly based on -% two inner commands: |\yldimethyleneposition| for adjusting a -% substitution site and |\@@dimethylene| for -% placing hetero atoms, double bonds, and substituents. -% -% \begin{macro}{\@@dimethylene} -% \begin{verbatim} -% \@@dimethylene{ATOMLIST}{BONDLIST}{TERMswitch}{Adjust} -% -% -% 0: all positions -% 1: position bbb -% 2: position aaa -% -% bbb -% 2 -% a / -% 1 -% aaa -% -% -% a positive or negative integer to adjust locant numbers -% \end{verbatim} -% -% \begin{macrocode} -\def\@@dimethylene#1#2#3#4{% -\leavevmode -\iniatom\iniflag%initialize -\test@vrtx@dimethy{#1}{#4}% -%\test@vertix@sixv{#1}{a}{b}{@}{@}{@}{@}% -\begin{picture}(250,480)(0,0) -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% - \put(171,-303){\SKbondA}% bond between 1 and 2 -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\if@adoublebond - \put(171,-303){\bondA}%upper side double bond -\else\if@Adoublebond - \put(171,-303){\bondAA}%lower side double bond -\fi\fi% -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\test@termcnt=#3\relax -%\set@hetatom@methyl{#1}{0}{0}{3}{0}% -\set@hetatom@methyl{#1}{#4}{0}{3}{0}% -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax -\ifx\@memberb\@yl\else -\ifcase\@tmpaa%0 omit -\or - \ifcase#3 - {\if@aclip \@cliptrue \else \@clipfalse\fi - \put(0,0){\@methsubstdL}}% - \or\relax - \or - {\if@aclip \@cliptrue \else \@clipfalse\fi - \put(0,0){\@methsubstdL}}% - \fi -\or - \ifcase#3 - {\if@bclip \@acliptrue \else \@aclipfalse\fi - \put(171,-303){\@methsubsta}} - \or - {\if@bclip \@acliptrue \else \@aclipfalse\fi - \put(171,-303){\@methsubsta}} - \or\relax - \fi -\fi%end of ifcase -\fi\fi% -}% -\end{picture}}% end of \@@dimethylene -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\test@vrtx@dimethy} -% \changes{v2.00}{1998/12/21}{New command: \cs{test@vrtx@dimethy}} -% \begin{macrocode} -\def\test@vrtx@dimethy#1#2{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\@tmpaa=\@tmpa \advance\@tmpaa by#2\relax -\ifcase\@tmpaa% - \or \if\@tmpb s\relax \xdef\aaa{}\else\if\@tmpb h\relax - \xdef\aaa{@}\else\xdef\aaa{@}\fi\fi - \or \if\@tmpb s\relax \xdef\bbb{}\else\if\@tmpb h\relax - \xdef\bbb{@}\else\xdef\bbb{@}\fi\fi -\fi\fi}} -% \end{macrocode} -% \end{macro} -% -% The |\yldimethyleneposition| is used to adjust -% substitution sites. -% -% \begin{macro}{\yldimethyleneposition} -% \begin{verbatim} -% \yldimethylene{ATOMLIST}{BONDLIST}{TERMswitch}{Adjust} -% -% -% 0: all positions -% 1: position bbb -% 2: position aaa -% -% bbb -% 2 -% a / -% 1 -% aaa -% -% -% a positive or negative integer to adjust locant numbers -% \end{verbatim} -% -% \begin{macrocode}% -\def\yldimethyleneposition#1#2#3#4{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax -\ifcase\@tmpaa% - \or \def\aaa{\@memberb}% - \or \def\bbb{\@memberb}% -\fi\fi}% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpaa%0 omit -\or - \ifcase#3 - \ifx\aaa\empty -% \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1 - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1 - \else - \if@linterchainsw%interchain position - \gdef\@ylii{0}\gdef\@yli{40}\global\@ylswtrue% subst. on 1 - \else%terminal position - \gdef\@ylii{40}\gdef\@yli{-24}\global\@ylswtrue% subst. on 1 - \fi - \fi - \or\relax - \or - \ifx\aaa\empty - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1 - \else - \if@linterchainsw%interchain position - \gdef\@ylii{0}\gdef\@yli{40}\global\@ylswtrue% subst. on 1 - \else%terminal position - \gdef\@ylii{40}\gdef\@yli{-24}\global\@ylswtrue% subst. on 1 - \fi - \fi - \fi -\or - \ifcase#3 - \ifx\bbb\empty - \gdef\@ylii{-171}\gdef\@yli{-103}\global\@ylswtrue% subst. on 2 - \else - \if@rinterchainsw%interchain position - \gdef\@ylii{-171}\gdef\@yli{-133}\global\@ylswtrue% subst. on 2 - \else%terminal position - \gdef\@ylii{-211}\gdef\@yli{-93}\global\@ylswtrue% subst. on 2 - \fi - \fi - \or - \ifx\bbb\empty - \gdef\@ylii{-171}\gdef\@yli{-103}\global\@ylswtrue% subst. on 2 - \else - \if@rinterchainsw%interchain position - \gdef\@ylii{-171}\gdef\@yli{-133}\global\@ylswtrue% subst. on 2 - \else%terminal position - \gdef\@ylii{-211}\gdef\@yli{-93}\global\@ylswtrue% subst. on 2 - \fi - \fi - \or \relax - \fi -\fi%end of ifcase -\fi\fi}}% end of \yldimethyleneposition -% \end{macrocode} -% \end{macro} -% -% The macro |\dimethylene| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% -% \begin{macro}{\dimethylene} -% \begin{macro}{\@dimethylene} -% \begin{verbatim} -% -% bbb -% 2 -% a / (or uppercase letters) -% / -% 1 -% aaa -% \end{verbatim} -% -% -% \begin{verbatim} -% \dimethylene[BONDLIST]{ATOMLIST}{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one character a or A, -% each of which indicates the presence of an inner (endcyclic) double -% bond on the corresponding position. A lowercase letter is used -% to typeset a double bond at a lower-side of an outer skeletal bond, -% while an uppercase letter typesets a double bond at a upper-side of -% an outer skeletal bond. -% (Note that the option `A' represents an aromatic circle in -% commands |\sixheterov| etc. ) -% -% \begin{verbatim} -% BONDLIST = -% -% [] or none : no double bond -% a : 1,2-double bond -% A : 1,2-double bond in an opposite side -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% ATOMLIST: list of heteroatoms (max 2 atoms) -% -% for n = 1 and 2 -% -% n==? : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 and 2 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% nW : terminal single bond (n=1 or 2) -% -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \dimethylene{1==N}{1==Cl;2==F} -% \dimethylene[a]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% The definition of |\dimethylene| uses a picture environment and -% consists of the following unit processes: -% \begin{enumerate} -% \item adjusting substitution site by -% |\yldimethyleneposition| -% \item treating atom list, -% placing outer skeletons, inner double bonds, -% setting hetero atoms, and -% placing substituents by |\@@dimethylene|. -% \end{enumerate} -% -% \begin{macrocode} -\def\dimethylene{% -\@ifnextchar[{\@dimethylene[@}{\@dimethylene[]}} -\def\@dimethylene[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -\reset@interchainsw% -\yldimethyleneposition{#2}{#3}{0}{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(250,480)(-50,-180) - \iforigpt \put(-50,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `dimethylene' origin: % - (0,0) ---> (50,180)}\fi% -\fi -\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else - \expandafter\twoCH@@R\member//% - \set@fusion@dimeth -\fi\fi}% -\@wrongbdWafalse -\@wrongbdWdfalse - \put(0,0){\@@dimethylene{#2}{#3}{0}{0}}% -\end{picture}}% end of \dimethylene -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The inner command |\set@fusion@dimeth| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@dimeth} -% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@dimeth}} -% \begin{macrocode} -\def\set@fusion@dimeth{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% -\if\@@tmpa a\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \fi\fi -}% end of the macro \set@fusion@dimeth -% \end{macrocode} -% \end{macro} -% -% \subsection{Inverse direction} -% -% A dimethylene (or ethane) and its hetera analogs (of inverse direction) -% can be typeset by the command |\dimethylenei|, which is mainly based on -% two inner commands: |\yldimethyleneiposition| for adjusting a -% substitution site and |\@@dimethylenei| for -% placing hetero atoms, double bonds, and substituents. -% -% \begin{macro}{\@@dimethylenei} -% \begin{verbatim} -% \@@dimethylenei{ATOMLIST}{BONDLIST}{TERMswitch}{Adjust} -% -% -% 0: all positions -% 1: position bbb -% 2: positions aaa -% -% aaa -% 1 -% a ` -% ` -% 2 -% bbb -% -% -% a positive or negative integer to adjust locant numbers -% \end{verbatim} -% -% \begin{macrocode} -\def\@@dimethylenei#1#2#3#4{% -\leavevmode -\iniatom\iniflag%initialize -\test@vrtx@dimethy{#1}{#4}% -%\test@vertix@sixv{#1}{a}{b}{@}{@}{@}{@}% -\begin{picture}(250,480)(0,0) -% %%%%%%%%%%%%%%%%%% -% % outer skeleton % -% %%%%%%%%%%%%%%%%%% - \put(171,0){\SKbondAi}% bond between 1 and 2 -% %%%%%%%%%%%%%%%%%%%%% -% % inner double bond % -% %%%%%%%%%%%%%%%%%%%%% -\if@adoublebond - \put(171,0){\bondAi}%upper side double bond -\else\if@Adoublebond - \put(171,0){\bondAAi}%lower side double bond -\fi\fi% -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting hetero atoms % -% %%%%%%%%%%%%%%%%%%%%%%%% -\test@termcnt=#3\relax -%\set@hetatom@methyli{#1}{0}{0}{3}{0}% -\set@hetatom@methyli{#1}{#4}{0}{3}{0}% -% %%%%%%%%%%%%%%%%%%%%%%%% -% % setting substituents % -% %%%%%%%%%%%%%%%%%%%%%%%% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax -\ifx\@memberb\@yl\else -\ifcase\@tmpaa%0 omit -\or - \ifcase#3 - \put(0,-303){\@methsubstaL}% - \or\relax - \or - \put(0,-303){\@methsubstaL}% - \fi -\or - \ifcase#3 - {\if@bclip \@cliptrue \else \@clipfalse\fi - \put(171,0){\@methsubstd}} - \or - {\if@bclip \@cliptrue \else \@clipfalse\fi - \put(171,0){\@methsubstd}} - \or\relax - \fi -\fi%end of ifcase -\fi\fi% -}% -\end{picture}}% end of \@@dimethylenei -% \end{macrocode} -% \end{macro} -% -% The |\yldimethyleneiposition| is used to adjust -% substitution sites. -% -% \begin{macro}{\yldimethyleneiposition} -% \begin{verbatim} -% \yldimethylenei{ATOMLIST}{BONDLIST}{TERMswitch}{Adjust} -% -% -% 0: all positions -% 1: position bbb -% 2: position aaa -% -% aaa -% 1 -% a ` -% ` -% 2 -% bbb -% -% -% a positive or negative integer to adjust locant numbers -% \end{verbatim} -% -% \begin{macrocode}% -\def\yldimethyleneiposition#1#2#3#4{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax -\ifcase\@tmpaa% - \or \def\aaa{\@memberb}% - \or \def\bbb{\@memberb}% -\fi\fi}% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#2\do{\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpaa%0 omit -\or%%%%%%%%position 1 - \ifcase#3 - \ifx\aaa\empty -% \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1 - \gdef\@ylii{0}\gdef\@yli{-103}\global\@ylswtrue% subst. on 1 - \else - \if@linterchainsw%interchain position -% \gdef\@ylii{0}\gdef\@yli{40}\global\@ylswtrue% subst. on 1 - \gdef\@ylii{0}\gdef\@yli{-133}\global\@ylswtrue% subst. on 1 - \else%terminal position -% \gdef\@ylii{40}\gdef\@yli{-24}\global\@ylswtrue% subst. on 1 - \gdef\@ylii{40}\gdef\@yli{-79}\global\@ylswtrue% subst. on 1 - \fi - \fi - \or\relax - \or - \ifx\aaa\empty -% \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1 - \gdef\@ylii{0}\gdef\@yli{-103}\global\@ylswtrue% subst. on 1 - \else - \if@linterchainsw%interchain position -% \gdef\@ylii{0}\gdef\@yli{40}\global\@ylswtrue% subst. on 1 - \gdef\@ylii{0}\gdef\@yli{-133}\global\@ylswtrue% subst. on 1 - \else%terminal position -% \gdef\@ylii{40}\gdef\@yli{-24}\global\@ylswtrue% subst. on 1 - \gdef\@ylii{40}\gdef\@yli{-79}\global\@ylswtrue% subst. on 1 - \fi - \fi - \fi -\or%%%%%%%%position 2 - \ifcase#3 - \ifx\bbb\empty -% \gdef\@ylii{-171}\gdef\@yli{-103}\global\@ylswtrue% subst. on 2 - \gdef\@ylii{-171}\gdef\@yli{0}\global\@ylswtrue% subst. on 2 - \else - \if@rinterchainsw%interchain position -% \gdef\@ylii{-171}\gdef\@yli{-133}\global\@ylswtrue% subst. on 2 - \gdef\@ylii{-171}\gdef\@yli{33}\global\@ylswtrue% subst. on 2 - \else%terminal position - % \gdef\@ylii{-211}\gdef\@yli{-93}\global\@ylswtrue% subst. on 2 - \gdef\@ylii{-211}\gdef\@yli{-10}\global\@ylswtrue% subst. on 2 - \fi - \fi - \or - \ifx\bbb\empty -% \gdef\@ylii{-171}\gdef\@yli{-103}\global\@ylswtrue% subst. on 2 - \gdef\@ylii{-171}\gdef\@yli{0}\global\@ylswtrue% subst. on 2 - \else - \if@rinterchainsw%interchain position -% \gdef\@ylii{-171}\gdef\@yli{-133}\global\@ylswtrue% subst. on 2 - \gdef\@ylii{-171}\gdef\@yli{33}\global\@ylswtrue% subst. on 2 - \else%terminal position -% \gdef\@ylii{-211}\gdef\@yli{-93}\global\@ylswtrue% subst. on 2 - \gdef\@ylii{-211}\gdef\@yli{-10}\global\@ylswtrue% subst. on 2 - \fi - \fi - \or \relax - \fi -\fi%end of ifcase -\fi}}% end of \yldimethyleneiposition -% \end{macrocode} -% \end{macro} -% -% The macro |\dimethylenei| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% -% \begin{macro}{\dimethylenei} -% \begin{macro}{\@dimethylenei} -% \begin{verbatim} -% -% aaa -% 1 -% a ` (or uppercase letter) -% ` -% 2 -% bbb -% \end{verbatim} -% -% \begin{verbatim} -% \dimethylenei[BONDLIST]{ATOMLIST}{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one character a or A, -% each of which indicates the presence of an inner (endcyclic) double -% bond on the corresponding position. A lowercase letter is used -% to typeset a double bond at a upper-side of an outer skeletal bond, -% while an uppercase letter typesets a double bond at a lower-side of -% an outer skeletal bond. -% (Note that the option `A' represents an aromatic circle in -% commands |\sixheterov| etc. ) -% -% \begin{verbatim} -% BONDLIST = -% -% [] or none : no double bond -% a : 1,2-double bond -% A : 1,2-double bond in an opposite side -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% ATOMLIST: list of heteroatoms (max 2 atoms) -% -% for n = 1 and 2 -% -% n==? : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 and 2 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% nW : terminal single bond (n=1 or 2) -% -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \dimethylenei{1==N}{1==Cl;2==F} -% \dimethylenei[a]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% The definition of |\dimethylenei| uses a picture environment and -% consists of the following unit processes: -% \begin{enumerate} -% \item adjusting substitution site by -% |\yldimethyleneposition| -% \item treating atom list, -% placing outer skeletons, inner double bonds, -% setting hetero atoms, and -% placing substituents by |\@@dimethylene|. -% \end{enumerate} -% -% \begin{macrocode} -\def\dimethylenei{% -\@ifnextchar[{\@dimethylenei[@}{\@dimethylenei[]}} -\def\@dimethylenei[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -\reset@interchainsw% -\yldimethyleneiposition{#2}{#3}{0}{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(250,480)(-50,-180) - \iforigpt \put(-50,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `dimethylene' origin: % - (0,0) ---> (50,180)}\fi% -\fi -\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else - \expandafter\twoCH@@R\member//% - \set@fusion@dimethi -\fi\fi}% -\@wrongbdWafalse -\@wrongbdWdfalse - \put(0,0){\@@dimethylenei{#2}{#3}{0}{0}}% -\end{picture}}% end of \dimethylenei -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The inner command |\set@fusion@dimethi| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@dimethi} -% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@dimethi}} -% \begin{macrocode} -\def\set@fusion@dimethi{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% -\if\@@tmpa a\relax% - \putlratom{0}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{171}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% -\fi\fi -}% end of the macro \set@fusion@dimethi -% \end{macrocode} -% \end{macro} -% -% \section{Tetramethylenes} -% \subsection{Normal direction} -% -% The macro |\tetramethylene| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% -% \begin{macro}{\tetramethylene} -% \begin{macro}{\@tetramethylene} -% -% \begin{verbatim} -% -% bbb ddd -% 2 4 -% a / ` b / c (or uppercase letters) -% / ` / -% 1 3 -% aaa ccc -% \end{verbatim} -% -% \begin{verbatim} -% \tetramethylene[BONDLIST]{ATOMLIST}{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one character selected from -% a to c (or A to C), -% each of which indicates the presence of an inner (endcyclic) double -% bond on the corresponding position. A lowercase letter is used -% to typeset a double bond at a lower-side of an outer skeletal bond, -% while an uppercase letter typesets a double bond at a upper-side of -% an outer skeletal bond. -% (Note that the option `A' represents an aromatic circle in -% commands |\sixheterov| etc.) -% -% \begin{verbatim} -% BONDLIST = -% -% [] or none : no double bond -% a : 1,2-double bond -% A : 1,2-double bond in an opposite side -% b : 2,3-double bond -% B : 2,3-double bond in an opposite side -% c : 3,4-double bond -% C : 3,4-double bond in an opposite side -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% ATOMLIST: list of heteroatoms (max 4 atoms) -% -% for n = 1 to 4 -% -% n==? : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 4 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% nW : terminal single bond (n=1 or 4) -% -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \tetramethylene{1==N}{1==Cl;2==F} -% \tetramethylene[b]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% The definition of |\tetramethylene| uses a picture environment and -% is based on |\@@trimethylene| and |\@@dimethylene|, each of which -% is consist of the following unit processes: -% \begin{enumerate} -% \item adjusting substitution site by -% |\yltrimethyleneposition| or -% |\yldimethyleneposition| -% \item treating atom list, -% placing outer skeletons, inner double bonds, -% setting hetero atoms, and -% placing substituents by |\@@trimethylene|or |\@@dimethylene|. -% \end{enumerate} -% -% \begin{macrocode} -\def\tetramethylene{% -\@ifnextchar[{\@tetramethylene[@}{\@tetramethylene[]}} -\def\@tetramethylene[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -{\@linterchainswfalse% -\@rinterchainswtrue% -\yltrimethyleneposition{#2}{#3}{0}{0}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\@rinterchainswfalse% -\@linterchainswtrue% -\yldimethyleneposition{#2}{#3}{1}{-2}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(900,480)(-200,-180) - \iforigpt \put(-200,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `tetramethylene' origin: % - (0,0) ---> (200,180)}\fi% -\fi -{\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member b\relax -\@bdoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else\if\member B\relax -\@Bdoublebondtrue -\else\if\member c\relax%dummy -\else\if\member C\relax%dummy -\else - \expandafter\twoCH@@R\member//% - \set@fusion@tetrameth -\fi\fi -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(0,0){\@@trimethylene{#2}{#3}{0}{0}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member c\relax -\@adoublebondtrue -\else\if\member C\relax -\@Adoublebondtrue -\fi\fi}% -\@wrongbdWafalse -\@wrongbdWdtrue -\put(342,0){\@@dimethylene{#2}{#3}{1}{-2}}}% -\end{picture}}% end of \tetramethylene -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The inner command |\set@fusion@tetrameth| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@tetrameth} -% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@tetrameth}} -% \begin{macrocode} -\def\set@fusion@tetrameth{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% -\if\@@tmpa a\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa b\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{342}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \else\if\@@tmpa c\relax% - \putlratom{342}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}% - \else\if\@@tmpa C\relax% - \putlratom{513}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}% - \fi\fi - \fi\fi\fi\fi -}% end of the macro \set@fusion@tetrameth -% \end{macrocode} -% \end{macro} -% -% \subsection{Inverse direction} -% -% The macro |\tetramethylenei| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% -% \begin{macro}{\tetramethylenei} -% \begin{macro}{\@tetramethylenei} -% -% \begin{verbatim} -% -% aaa ccc -% 1 3 -% a ` b / ` c (or uppercase letters) -% ` / ` -% 2 4 -% bbb ddd -% \end{verbatim} -% -% \begin{verbatim} -% \tetramethylenei[BONDLIST]{ATOMLIST}{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one character selected from -% a to c (or A to C), -% each of which indicates the presence of an inner (endcyclic) double -% bond on the corresponding position. A lowercase letter is used -% to typeset a double bond at a lower-side of an outer skeletal bond, -% while an uppercase letter typesets a double bond at a upper-side of -% an outer skeletal bond. -% (Note that the option `A' represents an aromatic circle in -% commands |\sixheterov| etc.) -% -% \begin{verbatim} -% BONDLIST = -% -% [] or none : no double bond -% a : 1,2-double bond -% A : 1,2-double bond in an opposite side -% b : 2,3-double bond -% B : 2,3-double bond in an opposite side -% c : 3,4-double bond -% C : 3,4-double bond in an opposite side -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% ATOMLIST: list of heteroatoms (max 4 atoms) -% -% for n = 1 to 4 -% -% n==? : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 4 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% nW : terminal single bond (n=1 or 4) -% -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \tetramethylenei{1==N}{1==Cl;2==F} -% \tetramethylenei[b]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% The definition of |\tetramethylenei| uses a picture environment and -% is based on |\@@trimethylenei| and |\@@dimethylenei|, each of which -% is consist of the following unit processes: -% \begin{enumerate} -% \item adjusting substitution site by -% |\yltrimethylenieposition| or -% |\yldimethyleneiposition| -% \item treating atom list, -% placing outer skeletons, inner double bonds, -% setting hetero atoms, and -% placing substituents by |\@@trimethylenei| or |\@@dimethylenei|. -% \end{enumerate} -% -% \begin{macrocode} -\def\tetramethylenei{% -\@ifnextchar[{\@tetramethylenei[@}{\@tetramethylenei[]}} -\def\@tetramethylenei[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -{\@linterchainswfalse% -\@rinterchainswtrue% -\yltrimethyleneiposition{#2}{#3}{0}{0}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\@rinterchainswfalse% -\@linterchainswtrue% -\yldimethyleneiposition{#2}{#3}{1}{-2}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(900,480)(-200,-180) - \iforigpt \put(-200,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `tetramethylene' origin: % - (0,0) ---> (200,180)}\fi% -\fi -{\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member b\relax -\@bdoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else\if\member B\relax -\@Bdoublebondtrue -\else\if\member c\relax%dummy -\else\if\member C\relax%dummy -\else - \expandafter\twoCH@@R\member//% - \set@fusion@tetramethi -\fi\fi -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(0,0){\@@trimethylenei{#2}{#3}{0}{0}}} -{\reset@double% -\@tfor\member:=#1\do{% -\if\member c\relax -\@adoublebondtrue -\else\if\member C\relax -\@Adoublebondtrue -\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdfalse -\put(342,0){\@@dimethylenei{#2}{#3}{1}{-2}}} -\end{picture}}%end of \tetramethylenei -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The inner command |\set@fusion@tetramethi| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@tetramethi} -% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@tetramethi}} -% \begin{macrocode} -\def\set@fusion@tetramethi{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% -\if\@@tmpa a\relax% - \putlratom{0}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{171}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa b\relax% - \putlratom{171}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{342}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \else\if\@@tmpa c\relax% - \putlratom{342}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}% - \else\if\@@tmpa C\relax% - \putlratom{513}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}% - \fi\fi - \fi\fi\fi\fi -}% end of the macro \set@fusion@tetramethi -% \end{macrocode} -% \end{macro} -% -% \subsection{Cisoid types} -% -% The macros |\tetramethylenecup| and |\tetramethylenecap| are -% used to draw tetramethylenes of cisoid types. -% -% \begin{verbatim} -% Cup: -% aaa ddd -% 1 4 -% ` / -% a ` / c (or uppercase letters) -% 2------3 -% bbb b ccc -% -% Cap: -% bbb b ccc -% 2------3 -% a / ` c (or uppercase letters) -% / ` -% 1 4 -% aaa ddd -% \end{verbatim} -% -% The macros have two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% \begin{verbatim} -% \tetramethylenecup[BONDLIST]{ATOMLIST}{SUBSLIST} -% \tetramethylenecap[BONDLIST]{ATOMLIST}{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one character selected from -% a to c (or A to C), -% each of which indicates the presence of an inner (endcyclic) double -% bond on the corresponding position. A lowercase letter is used -% to typeset a double bond at a lower-side of an outer skeletal bond, -% while an uppercase letter typesets a double bond at a upper-side of -% an outer skeletal bond. -% (Note that the option `A' represents an aromatic circle in -% commands |\sixheterov| etc.) -% -% \begin{verbatim} -% BONDLIST = -% -% [] or none : no double bond -% a : 1,2-double bond -% A : 1,2-double bond in an opposite side -% b : 2,3-double bond -% B : 2,3-double bond in an opposite side -% c : 3,4-double bond -% C : 3,4-double bond in an opposite side -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% ATOMLIST: list of heteroatoms (max 4 atoms) -% -% for n = 1 to 4 -% -% n==? : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 4 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% nW : terminal single bond (n=1 or 4) -% -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \tetramethylenecup{1==N}{1==Cl;2==F} -% \tetramethylenecap[b]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% \begin{macro}{\tetramethylenecup} -% \begin{macro}{\@tetramethylenecup} -% \begin{macrocode} -\def\tetramethylenecup{% -\@ifnextchar[{\@tetramethylenecup[@}{\@tetramethylenecup[]}} -\def\@tetramethylenecup[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -{\@linterchainswfalse% -\@rinterchainswtrue% -\yldimethyleneiposition{#2}{#3}{0}{0}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\@rinterchainswfalse% -\@linterchainswtrue% -\yldimethyleneposition{#2}{#3}{0}{-2}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-371}\def\@@yli{0}\fi\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff -\else -\begin{picture}(900,480)(-200,-180) - \iforigpt \put(-200,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `tetramethylenecup' origin: % - (0,0) ---> (200,180)}\fi% -\fi% -%bond a and atoms 1 and 2 -{\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else\if\member b\relax%dummy -\else\if\member B\relax%dummy -\else\if\member c\relax%dummy -\else\if\member C\relax%dummy -\else - \expandafter\twoCH@@R\member//% - \set@fusion@tetracup% for all bonds -\fi\fi\fi\fi -\fi\fi}% -\@wrongbdWafalse -\@wrongbdWdtrue -\put(0,0){\@@dimethylenei{#2}{#3}{0}{0}}}% -%bond b -{\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa% - \or \relax% - \or \if\@tmpb s\relax\else\if\@tmpb h\relax - \xdef\fff{@}\xdef\bbb{@}\else - \xdef\fff{@}\xdef\bbb{@}\fi\fi - \or \if\@tmpb s\relax\else\if\@tmpb h\relax - \xdef\eee{@}\xdef\ccc{@}\else - \xdef\eee{@}\xdef\ccc{@}\fi\fi -\fi\fi}% -\put(68,171){\hskbonde}% -\reset@double% -\@tfor\member:=#1\do{% - \if\member b\relax - \@bdoublebondtrue - \put(68,171){\hbonde}% - \else\if\member B\relax - \@bdoublebondtrue - \put(68,-171){\hbondb}% - \fi\fi}}% -%bond c and atoms 3 and 4 -{\reset@double% -\@tfor\member:=#1\do{% -\if\member c\relax -\@adoublebondtrue -\else\if\member C\relax -\@Adoublebondtrue -\else\if\member d\relax -\@bdoublebondtrue -\else\if\member D\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% - \@wrongbdWafalse - \@wrongbdWdLtrue -\put(371,0){\@@dimethylene{#2}{#3}{0}{-2}}}% -\end{picture}}% end of \tetramethylenecup -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The inner command |\set@fusion@tetracup| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@tetracup} -% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@tetracup}} -% \begin{macrocode} -\def\set@fusion@tetracup{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% -\if\@@tmpa a\relax% - \putlratom{0}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{171}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa b\relax% - \putlratom{171}{0}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{371}{0}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \else\if\@@tmpa c\relax% - \putlratom{371}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}% - \else\if\@@tmpa C\relax% - \putlratom{542}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}% - \fi\fi - \fi\fi\fi\fi -}% end of the macro \set@fusion@tetracup -% \end{macrocode} -% \end{macro} -% -% -% \begin{macro}{\tetramethylenecap} -% \begin{macro}{\@tetramethylenecap} -% \begin{macrocode} -\def\tetramethylenecap{% -\@ifnextchar[{\@tetramethylenecap[@}{\@tetramethylenecap[]}} -\def\@tetramethylenecap[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -{\@linterchainswfalse% -\@rinterchainswtrue% -\yldimethyleneposition{#2}{#3}{0}{0}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\@rinterchainswfalse% -\@linterchainswtrue% -\yldimethyleneiposition{#2}{#3}{0}{-2}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-371}\def\@@yli{0}\fi\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(900,480)(-200,-180) - \iforigpt \put(-200,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `tetramethylenecap' origin: % - (0,0) ---> (50,180)}\fi% -\fi% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else\if\member b\relax%dummy -\else\if\member B\relax%dummy -\else\if\member c\relax%dummy -\else\if\member C\relax%dummy -\else - \expandafter\twoCH@@R\member//% - \set@fusion@tetracap% for all bonds -\fi\fi\fi\fi -\fi\fi}% -\@wrongbdWatrue -\put(0,0){\@@dimethylene{#2}{#3}{0}{0}}}% -{\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa% - \or \relax% - \or \if\@tmpb s\relax\else\if\@tmpb h\relax - \xdef\fff{@}\xdef\bbb{@}\else - \xdef\fff{@}\xdef\bbb{@}\fi\fi - \or \if\@tmpb s\relax\else\if\@tmpb h\relax - \xdef\eee{@}\xdef\ccc{@}\else - \xdef\eee{@}\xdef\ccc{@}\fi\fi -\fi\fi}% -\put(68,-68){\hskbondb}% -\reset@double% -\@tfor\member:=#1\do{% - \if\member b\relax - \@bdoublebondtrue - \put(68,-68){\hbondb}% - \else\if\member B\relax - \@bdoublebondtrue - \put(68,274){\hbonde}% - \fi\fi}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member c\relax -\@adoublebondtrue -\else\if\member C\relax -\@Adoublebondtrue -\else\if\member d\relax -\@bdoublebondtrue -\else\if\member D\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% - \@wrongbdWaLtrue -\put(371,0){\@@dimethylenei{#2}{#3}{0}{-2}}}% -\end{picture}}% end of \tetramethylenecap -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The inner command |\set@fusion@tetracap| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@tetracap} -% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@tetracap}} -% \begin{macrocode} -\def\set@fusion@tetracap{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% -\if\@@tmpa a\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa b\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{371}{103}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \else\if\@@tmpa c\relax% - \putlratom{371}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}% - \else\if\@@tmpa C\relax% - \putlratom{542}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}% - \fi\fi - \fi\fi\fi\fi -}% end of the macro \set@fusion@tetracap -% \end{macrocode} -% \end{macro} -% -% \section{Pentamethylene} -% \subsection{Normal direction} -% -% The macro |\pentamethylene| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% -% \begin{macro}{\pentamethylene} -% \begin{macro}{\@pentamethylene} -% -% \begin{verbatim} -% -% bbb ddd -% 2 4 -% a / ` b / c` d (or uppercase letters) -% / ` / ` -% 1 3 5 -% aaa ccc -% \end{verbatim} -% -% -% \begin{verbatim} -% \pentamethylene[BONDLIST]{ATOMLIST}{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one character selected from -% a to d (or A to D), -% each of which indicates the presence of an inner (endcyclic) double -% bond on the corresponding position. A lowercase letter is used -% to typeset a double bond at a lower-side of an outer skeletal bond, -% while an uppercase letter typesets a double bond at a upper-side of -% an outer skeletal bond. -% (Note that the option `A' represents an aromatic circle in -% commands |\sixheterov| etc.) -% -% \begin{verbatim} -% BONDLIST = -% -% [] or none : no double bond -% a : 1,2-double bond -% A : 1,2-double bond in an opposite side -% b : 2,3-double bond -% B : 2,3-double bond in an opposite side -% c : 3,4-double bond -% C : 3,4-double bond in an opposite side -% d : 4,5-double bond -% D : 4,5-double bond in an opposite side -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% ATOMLIST: list of heteroatoms (max 5 atoms) -% -% for n = 1 to 5 -% -% n==? : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 5 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% nW : terminal single bond (n=1 or 5) -% -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \pentamethylene{1==N}{1==Cl;2==F} -% \pentamethylene[b]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% The definition of |\pentamethylene| uses a picture environment and -% is based on two |\@@trimethylene| commands, each of which -% is consist of the following unit processes: -% \begin{enumerate} -% \item adjusting substitution site by -% |\yltrimethyleneposition| -% \item treating atom list, -% placing outer skeletons, inner double bonds, -% setting hetero atoms, and -% placing substituents by |\@@trimethylene|. -% \end{enumerate} -% -% \begin{macrocode} -\def\pentamethylene{% -\@ifnextchar[{\@pentamethylene[@}{\@pentamethylene[]}} -\def\@pentamethylene[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -{\@linterchainswfalse% -\@rinterchainswtrue% -\yltrimethyleneposition{#2}{#3}{0}{0}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\@rinterchainswfalse% -\@linterchainswtrue% -\yltrimethyleneposition{#2}{#3}{1}{-2}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(1100,480)(-200,-180) - \iforigpt \put(-200,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `pentamethylene' origin: % - (0,0) ---> (200,180)}\fi% -\fi% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member b\relax -\@bdoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else\if\member B\relax -\@Bdoublebondtrue -\else\if\member c\relax%dummy -\else\if\member C\relax%dummy -\else\if\member d\relax%dummy -\else\if\member D\relax%dummy -\else - \expandafter\twoCH@@R\member//% - \set@fusion@pentameth% for all bonds -\fi\fi\fi\fi -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(0,0){\@@trimethylene{#2}{#3}{0}{0}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member c\relax -\@adoublebondtrue -\else\if\member d\relax -\@bdoublebondtrue -\else\if\member C\relax -\@Adoublebondtrue -\else\if\member D\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdfalse -\put(342,0){\@@trimethylene{#2}{#3}{1}{-2}}}% -\end{picture}}% end of \pentamethylene -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The inner command |\set@fusion@pentameth| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@pentameth} -% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@pentameth}} -% \begin{macrocode} -\def\set@fusion@pentameth{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% -\if\@@tmpa a\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa b\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{342}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \else\if\@@tmpa c\relax% - \putlratom{342}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}% - \else\if\@@tmpa C\relax% - \putlratom{513}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}% - \else\if\@@tmpa d\relax% - \putlratom{513}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{d}% - \else\if\@@tmpa D\relax% - \putlratom{684}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{D}% - \fi\fi\fi\fi - \fi\fi\fi\fi -}% end of the macro \set@fusion@pentameth -% \end{macrocode} -% \end{macro} -% -% \subsection{Inverse direction} -% -% The macro |\pentamethylenei| has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% -% \begin{macro}{\pentamethylenei} -% \begin{macro}{\@pentamethylenei} -% -% \begin{verbatim} -% -% (aaa) -% aaa ccc eee (ccc) -% 1 3 5 -% a ` b / ` c / d -% ` / ` / -% 2 4 -% bbb ddd (bbb) -% \end{verbatim} -% -% \begin{verbatim} -% \pentamethylenei[BONDLIST]{ATOMLIST}{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one character selected from -% a to d (or A to D), -% each of which indicates the presence of an inner (endcyclic) double -% bond on the corresponding position. A lowercase letter is used -% to typeset a double bond at the upper-side of an outer skeletal bond, -% while an uppercase letter typesets a double bond at the lower-side of -% an outer skeletal bond. -% (Note that the option `A' represents an aromatic circle in -% commands |\sixheterov| etc.) -% -% \begin{verbatim} -% BONDLIST = -% -% [] or none : no double bond -% a : 1,2-double bond -% A : 1,2-double bond in an opposite side -% b : 2,3-double bond -% B : 2,3-double bond in an opposite side -% c : 3,4-double bond -% C : 3,4-double bond in an opposite side -% d : 4,5-double bond -% D : 4,5-double bond in an opposite side -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% ATOMLIST: list of heteroatoms (max 5 atoms) -% -% for n = 1 to 5 -% -% n==? : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 5 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% nW : terminal single bond (n=1 or 5) -% -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \pentamethylenei{1==N}{1==Cl;2==F} -% \pentamethylenei[b]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% The definition of |\pentamethylenei| uses a picture environment and -% is based on two |\@@trimethylenei| commands, each of which -% is consist of the following unit processes: -% \begin{enumerate} -% \item adjusting substitution site by -% |\yltrimethyleneiposition| -% \item treating atom list, -% placing outer skeletons, inner double bonds, -% setting hetero atoms, and -% placing substituents by |\@@trimethylenei|. -% \end{enumerate} -% -% \begin{macrocode} -\def\pentamethylenei{% -\@ifnextchar[{\@pentamethylenei[@}{\@pentamethylenei[]}} -\def\@pentamethylenei[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -{\@linterchainswfalse% -\@rinterchainswtrue% -\yltrimethyleneiposition{#2}{#3}{0}{0}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\@rinterchainswfalse% -\@linterchainswtrue% -\yltrimethyleneiposition{#2}{#3}{1}{-2}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(1100,480)(-200,-180) - \iforigpt \put(-200,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `pentamethylene' origin: % - (0,0) ---> (200,180)}\fi% -\fi% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member b\relax -\@bdoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else\if\member B\relax -\@Bdoublebondtrue -\else\if\member c\relax%dummy -\else\if\member C\relax%dummy -\else\if\member d\relax%dummy -\else\if\member D\relax%dummy -\else - \expandafter\twoCH@@R\member//% - \set@fusion@pentamethi% for all bonds -\fi\fi\fi\fi -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(0,0){\@@trimethylenei{#2}{#3}{0}{0}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member c\relax -\@adoublebondtrue -\else\if\member d\relax -\@bdoublebondtrue -\else\if\member C\relax -\@Adoublebondtrue -\else\if\member D\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% -\@wrongbdWafalse -\@wrongbdWdtrue -\put(342,0){\@@trimethylenei{#2}{#3}{1}{-2}}} -\end{picture}}% end of \pentamethylenei -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The inner command |\set@fusion@pentamethi| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@pentamethi} -% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@pentamethi}} -% \begin{macrocode} -\def\set@fusion@pentamethi{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% -\if\@@tmpa a\relax% - \putlratom{0}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{171}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa b\relax% - \putlratom{171}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{342}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \else\if\@@tmpa c\relax% - \putlratom{342}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}% - \else\if\@@tmpa C\relax% - \putlratom{513}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}% - \else\if\@@tmpa d\relax% - \putlratom{513}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{d}% - \else\if\@@tmpa D\relax% - \putlratom{684}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{D}% - \fi\fi\fi\fi - \fi\fi\fi\fi -}% end of the macro \set@fusion@pentamethi -% \end{macrocode} -% \end{macro} -% -% \section{Switches for Selecting Normal and Inverse Directions} -% -% The switch |\@normorinvsw| is used to select normal or -% inverse direction in the definition of commands for drawing -% hexametylenes and higher homologs. The value of this switch is -% false for normal direction and true for inverse direction. -% -% \begin{macro}{\if@normorinvsw} -% \begin{macrocode} -\newif\if@normorinvsw \@normorinvswfalse -% \end{macrocode} -% \end{macro} -% -% The macro |\set@normaldirection| assigns active commands to -% temporary commands in the definition of a command for drawing -% hexametylenes or higher homologs of normal direction. -% \begin{macro}{\set@normaldirection} -% \begin{macrocode} -\def\set@normaldirection{% -\@normorinvswfalse -\let\@yltrinormorinv=\yltrimethyleneposition -\let\@yldinormorinv=\yldimethyleneposition -\let\@@trinormorinv=\@@trimethylene -\let\@@dinormorinv=\@@dimethylene} -% \end{macrocode} -% \end{macro} -% -% The macro |\set@inversedirection| assigns active commands to -% temporary commands in the definition of a command for drawing -% hexametylenes or higher homologs of inverse direction. -% \begin{macro}{\set@inversedirection} -% \begin{macrocode} -\def\set@inversedirection{% -\@normorinvswtrue -\let\@yltrinormorinv=\yltrimethyleneiposition -\let\@yldinormorinv=\yldimethyleneiposition -\let\@@trinormorinv=\@@trimethylenei -\let\@@dinormorinv=\@@dimethylenei} -% \end{macrocode} -% \end{macro} -% -% \section{Hexamethylenes of normal and inverse direction} -% -% Hexamethylene and hetera derivatives are typeset with the commands -% |\hexamethylene| and |\hexamethylenei|. The former macro -% is to draw hexamethylenes of normal direction, while the latter -% is to draw ones of inverse directions. -% -% \begin{verbatim} -% Normal direction: -% -% (bbb) ((bbb)) -% bbb ddd fff -% 2 4 6 -% a / ` b / c` d / e -% / ` / ` / -% 1 3 5 -% aaa ccc eee -% (aaa) (ccc) -% ((aaa)) -% -% Inverse direction: -% -% (aaa) -% aaa ccc eee (ccc) ((aaa)) -% 1 3 5 -% a ` b / ` c / d ` e -% ` / ` / ` -% 2 4 6 -% bbb ddd (bbb) fff((bbb)) -% \end{verbatim} -% -% The macros have two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% -% \begin{verbatim} -% \hexamethylene[BONDLIST]{ATOMLIST}{SUBSLIST} -% \hexamethylenei[BONDLIST]{ATOMLIST}{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one character selected from -% a to e (or A to E), -% each of which indicates the presence of an inner (endcyclic) double -% bond on the corresponding position. A lowercase letter is used -% to typeset a double bond at the upper-side of an outer skeletal bond, -% while an uppercase letter typesets a double bond at the lower-side of -% an outer skeletal bond. -% (Note that the option `A' represents an aromatic circle in -% commands |\sixheterov| etc.) -% -% \begin{verbatim} -% BONDLIST = -% -% [] or none : no double bond -% a : 1,2-double bond -% A : 1,2-double bond in an opposite side -% b : 2,3-double bond -% B : 2,3-double bond in an opposite side -% c : 3,4-double bond -% C : 3,4-double bond in an opposite side -% d : 4,5-double bond -% D : 4,5-double bond in an opposite side -% e : 5,6-double bond -% E : 5,6-double bond in an opposite side -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% ATOMLIST: list of heteroatoms (max 6 atoms) -% -% for n = 1 to 6 -% -% n==? : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 6 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% nW : terminal single bond (n=1 or 6) -% -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \hexamethylene{1==N}{1==Cl;2==F} -% \hexamethylenei[b]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% The macros |\hexamethylene| and |\hexamethylenei| are -% based on a common inner macro |\@hexamethylene|, -% the definition of which uses a picture environment. -% -% \begin{macro}{\hexamethylene} -% \begin{macrocode} -\def\hexamethylene{% -\@ifnextchar[{\set@normaldirection\@hexamethylene[@}{% -\set@normaldirection\@hexamethylene[]}} -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\hexamethylenei} -% \begin{macrocode} -\def\hexamethylenei{% -\@ifnextchar[{\set@inversedirection\@hexamethylene[@}{% -\set@inversedirection\@hexamethylene[]}} -% \end{macrocode} -% \end{macro} -% -% Inner temporary commands such as |\@@trinormorinv| and -% |\@@dinormorinv| in the common |\@hexamethylene| macro -% are replaced by active commands such as |\@@trimethylene| and -% |\@@dimethylene|. They carry out the following unit processes. -% \begin{enumerate} -% \item Adjusting substitution site: -% |\yltrimethyleneposition| -% or |\yldimethyleneposition| for normal direction; -% |\yltrimethyleneiposition| -% or |\yldimethyleneiposition| for inverse direction. -% \item Treating atom list, -% placing outer skeletons, inner double bonds, -% setting hetero atoms, and -% placing substituents: -% |\@@trimethylene| -% or |\@@dimethylene| for normal direction; -% |\@@trimethylenei| -% or |\@@dimethylenei| for normal direction. -% \end{enumerate} -% -% \begin{macro}{\@hexamethylene} -% \begin{macrocode} -\def\@hexamethylene[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -{\@linterchainswfalse% -\@rinterchainswtrue% -\@yltrinormorinv{#2}{#3}{0}{0}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\@rinterchainswtrue% -\@linterchainswtrue% -\@yltrinormorinv{#2}{#3}{1}{-2}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi -\else -{\@rinterchainswfalse% -\@linterchainswtrue% -\@yldinormorinv{#2}{#3}{1}{-4}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-684}\def\@@yli{0}\fi\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(1100,480)(-200,-180) - \iforigpt \put(-200,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `hexamethylene' origin: % - (0,0) ---> (200,180)}\fi% -\fi% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member b\relax -\@bdoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else\if\member B\relax -\@Bdoublebondtrue -\else\if\member c\relax%dummy -\else\if\member C\relax%dummy -\else\if\member d\relax%dummy -\else\if\member D\relax%dummy -\else\if\member e\relax%dummy -\else\if\member E\relax%dummy -\else - \expandafter\twoCH@@R\member//% - \set@fusion@hexameth% for all bonds -\fi\fi\fi\fi\fi\fi -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(0,0){\@@trinormorinv{#2}{#3}{0}{0}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member c\relax -\@adoublebondtrue -\else\if\member d\relax -\@bdoublebondtrue -\else\if\member C\relax -\@Adoublebondtrue -\else\if\member D\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(342,0){\@@trinormorinv{#2}{#3}{1}{-2}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member e\relax -\@adoublebondtrue -\else\if\member E\relax -\@Adoublebondtrue -\fi\fi}% -\if@normorinvsw% inverse - \@wrongbdWatrue - \@wrongbdWdfalse -\else% normal - \@wrongbdWafalse - \@wrongbdWdtrue -\fi -\put(684,0){\@@dinormorinv{#2}{#3}{1}{-4}}}% -\end{picture}}% end of \@hexamethylene -% \end{macrocode} -% \end{macro} -% -% The inner command |\set@fusion@hexameth| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@hexameth} -% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@hexameth}} -% \begin{macrocode} -\def\set@fusion@hexameth{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% -\if@normorinvsw - \if\@@tmpa e\relax% - \putlratom{684}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e}% - \else\if\@@tmpa E\relax% - \putlratom{855}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E}% - \else - \set@fusion@pentamethi - \fi\fi -\else - \if\@@tmpa e\relax% - \putlratom{684}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e}% - \else\if\@@tmpa E\relax% - \putlratom{855}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E}% - \else - \set@fusion@pentameth - \fi\fi -\fi -}% end of the macro \set@fusion@hexameth -% \end{macrocode} -% \end{macro} -% -% \section{Heptamethylenes of normal and inverse direction} -% -% Heptamethylene and hetera derivatives are typeset with the commands -% |\heptamethylene| and |\heptamethylenei|. The former macro -% is to draw heptamethylenes of normal direction, while the latter -% is to draw ones of inverse directions. -% -% \begin{verbatim} -% Normal direction: -% -% (bbb) ((bbb)) -% bbb ddd fff -% 2 4 6 -% a / ` b / c` d / e ` f -% / ` / ` / ` -% 1 3 5 7 -% aaa ccc eee gggg -% (aaa) (ccc) ((ccc)) -% ((aaa)) -% -% Inverse direction: -% -% (aaa) ((aaa)) ((ccc)) -% aaa ccc eee (ccc) ggg -% 1 3 5 7 -% a ` b / ` c / d ` e /f -% ` / ` / ` / -% 2 4 6 -% bbb ddd (bbb) fff((bbb)) -% (aaa) -% \end{verbatim} -% -% The macros have two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% \begin{verbatim} -% \heptamethylene[BONDLIST]{ATOMLIST}{SUBSLIST} -% \heptamethylenei[BONDLIST]{ATOMLIST}{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one character selected from -% a to f (or A to F), -% each of which indicates the presence of an inner (endcyclic) double -% bond on the corresponding position. A lowercase letter is used -% to typeset a double bond at the upper-side of an outer skeletal bond, -% while an uppercase letter typesets a double bond at the lower-side of -% an outer skeletal bond. -% (Note that the option `A' represents an aromatic circle in -% commands |\sixheterov| etc.) -% -% \begin{verbatim} -% BONDLIST = -% -% [] or none : no double bond -% a : 1,2-double bond -% A : 1,2-double bond in an opposite side -% b : 2,3-double bond -% B : 2,3-double bond in an opposite side -% c : 3,4-double bond -% C : 3,4-double bond in an opposite side -% d : 4,5-double bond -% D : 4,5-double bond in an opposite side -% e : 5,6-double bond -% E : 5,6-double bond in an opposite side -% f : 6,7-double bond -% F : 6,7-double bond in an opposite side -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% ATOMLIST: list of heteroatoms (max 7 atoms) -% -% for n = 1 to 7 -% -% n==? : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 7 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% nW : terminal single bond (n=1 or 7) -% -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \heptamethylene{1==N}{1==Cl;2==F} -% \heptamethylenei[b]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% The macros |\heptamethylene| and |\heptamethylenei| are -% based on a common inner macro |\@heptamethylene|, -% the definition of which uses a picture environment. -% -% \begin{macro}{\heptamethylene} -% \begin{macrocode} -\def\heptamethylene{% -\@ifnextchar[{\set@normaldirection\@heptamethylene[@}{% -\set@normaldirection\@heptamethylene[]}} -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\heptamethylenei} -% \begin{macrocode} -\def\heptamethylenei{% -\@ifnextchar[{\set@inversedirection\@heptamethylene[@}{% -\set@inversedirection\@heptamethylene[]}} -% \end{macrocode} -% \end{macro} -% -% Inner temporary commands such as |\@@trinormorinv| and -% |\@@dinormorinv| in the common |\@heptamethylene| macro -% are replaced by active commands such as |\@@trimethylene| and -% |\@@dimethylene|. They carry out the following unit processes. -% \begin{enumerate} -% \item Adjusting substitution site: -% |\yltrimethyleneposition| -% or |\yldimethyleneposition| for normal direction; -% |\yltrimethyleneiposition| -% or |\yldimethyleneiposition| for inverse direction. -% \item Treating atom list, -% placing outer skeletons, inner double bonds, -% setting hetero atoms, and -% placing substituents: -% |\@@trimethylene| -% or |\@@dimethylene| for normal direction; -% |\@@trimethylenei| -% or |\@@dimethylenei| for normal direction. -% \end{enumerate} -% -% \begin{macro}{\@heptamethylene} -% \begin{macrocode} -\def\@heptamethylene[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -{\@linterchainswfalse% -\@rinterchainswtrue% -\@yltrinormorinv{#2}{#3}{0}{0}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\@rinterchainswtrue% -\@linterchainswtrue% -\@yltrinormorinv{#2}{#3}{1}{-2}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi -\else -{\@rinterchainswfalse% -\@linterchainswtrue% -\@yltrinormorinv{#2}{#3}{1}{-4}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-684}\def\@@yli{0}\fi\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(1450,480)(-200,-180) - \iforigpt \put(-200,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `heptamethylene' origin: % - (0,0) ---> (200,180)}\fi% -\fi% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member b\relax -\@bdoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else\if\member B\relax -\@Bdoublebondtrue -\else\if\member c\relax%dummy -\else\if\member C\relax%dummy -\else\if\member d\relax%dummy -\else\if\member D\relax%dummy -\else\if\member e\relax%dummy -\else\if\member E\relax%dummy -\else\if\member f\relax%dummy -\else\if\member F\relax%dummy -\else - \expandafter\twoCH@@R\member//% - \set@fusion@heptameth% for all bonds -\fi\fi\fi\fi\fi\fi\fi\fi -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(0,0){\@@trinormorinv{#2}{#3}{0}{0}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member c\relax -\@adoublebondtrue -\else\if\member d\relax -\@bdoublebondtrue -\else\if\member C\relax -\@Adoublebondtrue -\else\if\member D\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(342,0){\@@trinormorinv{#2}{#3}{1}{-2}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member e\relax -\@adoublebondtrue -\else\if\member E\relax -\@Adoublebondtrue -\else\if\member f\relax -\@bdoublebondtrue -\else\if\member F\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% -\if@normorinvsw% inverse -\@wrongbdWafalse -\@wrongbdWdtrue -\else%normal -\@wrongbdWatrue -\@wrongbdWdfalse -\fi -\put(684,0){\@@trinormorinv{#2}{#3}{1}{-4}}}% -\end{picture}}% end of \@heptamethylene -% \end{macrocode} -% \end{macro} -% -% The inner command |\set@fusion@heptameth| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@heptameth} -% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@heptameth}} -% \begin{macrocode} -\def\set@fusion@heptameth{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% -\if@normorinvsw - \if\@@tmpa e\relax% - \putlratom{684}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e}% - \else\if\@@tmpa E\relax% - \putlratom{855}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E}% - \else\if\@@tmpa f\relax% - \putlratom{855}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{f}% - \else\if\@@tmpa F\relax% - \putlratom{1027}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{F}% - \else - \set@fusion@pentamethi - \fi\fi\fi\fi -\else - \if\@@tmpa e\relax% - \putlratom{684}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e}% - \else\if\@@tmpa E\relax% - \putlratom{855}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E}% - \else\if\@@tmpa f\relax% - \putlratom{855}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{f}% - \else\if\@@tmpa F\relax% - \putlratom{1027}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{F}% - \else - \set@fusion@pentameth - \fi\fi\fi\fi -\fi -}% end of the macro \set@fusion@heptameth -% \end{macrocode} -% \end{macro} -% -% \section{Octamethylenes of normal and inverse directions} -% -% Octamethylene and hetera derivatives are typeset with the commands -% |\octamethylene| and |\octamethylenei|. The former macro -% is to draw octamethylenes of normal direction, while the latter -% is to draw ones of inverse directions. -% -% \begin{verbatim} -% Normal direction: -% -% (bbb) ((bbb)) (((bbb))) -% bbb ddd fff hhh -% 2 4 6 8 -% a / ` b / c` d / e ` f /g -% / ` / ` / ` / -% 1 3 5 7 -% aaa ccc eee gggg -% (aaa) (ccc) ((ccc)) -% ((aaa)) (((aaa))) -% -% Inverse direction: -% (((aaa))) -% (aaa) ((aaa)) ((ccc)) -% aaa ccc eee (ccc) ggg -% 1 3 5 7 -% a ` b / ` c / d ` e /f ` g -% ` / ` / ` / ` -% 2 4 6 8 -% bbb ddd fff hhh -% (bbb) ((bbb)) (((bbb))) -% \end{verbatim} -% -% The macros has two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% \begin{verbatim} -% \octamethylene[BONDLIST]{ATOMLIST}{SUBSLIST} -% \octamethylenei[BONDLIST]{ATOMLIST}{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one character selected from -% a to g (or A to G), -% each of which indicates the presence of an inner (endcyclic) double -% bond on the corresponding position. A lowercase letter is used -% to typeset a double bond at the upper-side of an outer skeletal bond, -% while an uppercase letter typesets a double bond at the lower-side of -% an outer skeletal bond. -% (Note that the option `A' represents an aromatic circle in -% commands |\sixheterov| etc.) -% -% \begin{verbatim} -% BONDLIST = -% -% [] or none : no double bond -% a : 1,2-double bond -% A : 1,2-double bond in an opposite side -% b : 2,3-double bond -% B : 2,3-double bond in an opposite side -% c : 3,4-double bond -% C : 3,4-double bond in an opposite side -% d : 4,5-double bond -% D : 4,5-double bond in an opposite side -% e : 5,6-double bond -% E : 5,6-double bond in an opposite side -% f : 6,7-double bond -% F : 6,7-double bond in an opposite side -% g : 7,8-double bond -% G : 7,8-double bond in an opposite side -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% ATOMLIST: list of heteroatoms (max 8 atoms) -% -% for n = 1 to 8 -% -% n==? : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 8 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% nW : terminal single bond (n=1 or 8) -% -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \octamethylene{1==N}{1==Cl;2==F} -% \octamethylenei[b]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% The macros |\octamethylene| and |\octamethylenei| are -% based on a common inner macro |\@octamethylene|, -% the definition of which uses a picture environment. -% -% \begin{macro}{\octamethylene} -% \begin{macrocode} -\def\octamethylene{% -\@ifnextchar[{\set@normaldirection\@octamethylene[@}{% -\set@normaldirection\@octamethylene[]}} -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\octamethylenei} -% \begin{macrocode} -\def\octamethylenei{% -\@ifnextchar[{\set@inversedirection\@octamethylene[@}{% -\set@inversedirection\@octamethylene[]}} -% \end{macrocode} -% \end{macro} -% -% Inner temporary commands such as |\@@trinormorinv| and -% |\@@dinormorinv| in the common |\@octamethylene| macro -% are replaced by active commands such as |\@@trimethylene| and -% |\@@dimethylene|. They carry out the following unit processes. -% \begin{enumerate} -% \item Adjusting substitution site: -% |\yltrimethyleneposition| -% or |\yldimethyleneposition| for normal direction; -% |\yltrimethyleneiposition| -% or |\yldimethyleneiposition| for inverse direction. -% \item Treating atom list, -% placing outer skeletons, inner double bonds, -% setting hetero atoms, and -% placing substituents: -% |\@@trimethylene| -% or |\@@dimethylene| for normal direction; -% |\@@trimethylenei| -% or |\@@dimethylenei| for normal direction. -% \end{enumerate} -% -% \begin{macro}{\@octamethylene} -% \begin{macrocode} -\def\@octamethylene[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -{\@linterchainswfalse% -\@rinterchainswtrue% -\@yltrinormorinv{#2}{#3}{0}{0}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\@rinterchainswtrue% -\@linterchainswtrue% -\@yltrinormorinv{#2}{#3}{1}{-2}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi -\else -{\@rinterchainswtrue% -\@linterchainswtrue% -\@yltrinormorinv{#2}{#3}{1}{-4}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-684}\def\@@yli{0}\fi -\else -{\@rinterchainswfalse% -\@linterchainswtrue% -\@yldinormorinv{#2}{#3}{1}{-6}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-1026}\def\@@yli{0}\fi\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(1620,480)(-200,-180) - \iforigpt \put(-200,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `octamethylene' origin: % - (0,0) ---> (200,180)}\fi% -\fi% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member b\relax -\@bdoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else\if\member B\relax -\@Bdoublebondtrue -\else\if\member c\relax%dummy -\else\if\member C\relax%dummy -\else\if\member d\relax%dummy -\else\if\member D\relax%dummy -\else\if\member e\relax%dummy -\else\if\member E\relax%dummy -\else\if\member f\relax%dummy -\else\if\member F\relax%dummy -\else\if\member g\relax%dummy -\else\if\member G\relax%dummy -\else - \expandafter\twoCH@@R\member//% - \set@fusion@octameth% for all bonds -\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(0,0){\@@trinormorinv{#2}{#3}{0}{0}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member c\relax -\@adoublebondtrue -\else\if\member d\relax -\@bdoublebondtrue -\else\if\member C\relax -\@Adoublebondtrue -\else\if\member D\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(342,0){\@@trinormorinv{#2}{#3}{1}{-2}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member e\relax -\@adoublebondtrue -\else\if\member E\relax -\@Adoublebondtrue -\else\if\member f\relax -\@bdoublebondtrue -\else\if\member F\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(684,0){\@@trinormorinv{#2}{#3}{1}{-4}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member g\relax -\@adoublebondtrue -\else\if\member G\relax -\@Adoublebondtrue -\fi\fi}% -\if@normorinvsw% inverse -\@wrongbdWatrue -\@wrongbdWdfalse -\else% normal -\@wrongbdWafalse -\@wrongbdWdtrue -\fi -\put(1026,0){\@@dinormorinv{#2}{#3}{1}{-6}}}% -\end{picture}}% end of \@octamethylene -% \end{macrocode} -% \end{macro} -% -% The inner command |\set@fusion@octameth| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@octameth} -% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@octameth}} -% \begin{macrocode} -\def\set@fusion@octameth{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% -\if@normorinvsw - \if\@@tmpa e\relax% - \putlratom{684}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e}% - \else\if\@@tmpa E\relax% - \putlratom{855}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E}% - \else\if\@@tmpa f\relax% - \putlratom{855}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{f}% - \else\if\@@tmpa F\relax% - \putlratom{1027}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{F}% - \else\if\@@tmpa g\relax% - \putlratom{1027}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{g}% - \else\if\@@tmpa G\relax% - \putlratom{1198}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{G}% - \else - \set@fusion@pentamethi - \fi\fi\fi\fi\fi\fi -\else - \if\@@tmpa e\relax% - \putlratom{684}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e}% - \else\if\@@tmpa E\relax% - \putlratom{855}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E}% - \else\if\@@tmpa f\relax% - \putlratom{855}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{f}% - \else\if\@@tmpa F\relax% - \putlratom{1027}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{F}% - \else\if\@@tmpa g\relax% - \putlratom{1027}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{g}% - \else\if\@@tmpa G\relax% - \putlratom{1198}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{G}% - \else - \set@fusion@pentameth - \fi\fi\fi\fi\fi\fi -\fi -}% end of the macro \set@fusion@octameth -% \end{macrocode} -% \end{macro} -% -% \section{Nonamethylenes of normal and inverse direction} -% -% Nonamethylene and hetera derivatives are typeset with the commands -% |\nonamethylene| and |\nonamethylenei|. The former macro -% is to draw nonamethylenes of normal direction, while the latter -% is to draw ones of inverse directions. -% -% \begin{verbatim} -% Normal direction: -% -% (bbb) ((bbb)) (((bbb))) -% bbb ddd fff hhh -% 2 4 6 8 -% a / ` b / c` d / e ` f /g` h -% / ` / ` / ` / ` -% 1 3 5 7 9 -% aaa ccc eee gggg (((ccc))) -% (aaa) (ccc) ((ccc)) -% ((aaa)) (((aaa))) -% -% Inverse direction: -% (((aaa))) -% (aaa) ((aaa)) ((ccc)) -% aaa ccc eee (ccc) ggg (((ccc))) -% 1 3 5 7 9 -% a ` b / ` c / d ` e /f ` g / h -% ` / ` / ` / ` / -% 2 4 6 8 -% bbb ddd fff hhh -% (bbb) ((bbb)) (((bbb))) -% (aaa) ((aaa)) ((ccc)) -% \end{verbatim} -% -% The macros have two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% -% \begin{verbatim} -% \nonamethylene[BONDLIST]{ATOMLIST}{SUBSLIST} -% \nonamethylenei[BONDLIST]{ATOMLIST}{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one character selected from -% a to h (or A to H), -% each of which indicates the presence of an inner (endcyclic) double -% bond on the corresponding position. A lowercase letter is used -% to typeset a double bond at the upper-side of an outer skeletal bond, -% while an uppercase letter typesets a double bond at the lower-side of -% an outer skeletal bond. -% (Note that the option `A' represents an aromatic circle in -% commands |\sixheterov| etc.) -% -% \begin{verbatim} -% BONDLIST = -% -% [] or none : no double bond -% a : 1,2-double bond -% A : 1,2-double bond in an opposite side -% b : 2,3-double bond -% B : 2,3-double bond in an opposite side -% c : 3,4-double bond -% C : 3,4-double bond in an opposite side -% d : 4,5-double bond -% D : 4,5-double bond in an opposite side -% e : 5,6-double bond -% E : 5,6-double bond in an opposite side -% f : 6,7-double bond -% F : 6,7-double bond in an opposite side -% g : 7,8-double bond -% G : 7,8-double bond in an opposite side -% h : 8,9-double bond -% H : 8,9-double bond in an opposite side -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% ATOMLIST: list of heteroatoms (max 9 atoms) -% -% for n = 1 to 9 -% -% n==? : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 9 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% nW : terminal single bond (n=1 or 9) -% -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \nonamethylene{1==N}{1==Cl;2==F} -% \nonamethylenei[b]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% The macros |\nonamethylene| and |\nonamethylenei| are -% based on a common inner macro |\@nonamethylene|, -% the definition of which uses a picture environment. -% -% \begin{macro}{\nonamethylene} -% \begin{macrocode} -\def\nonamethylene{% -\@ifnextchar[{\set@normaldirection\@nonamethylene[@}{% -\set@normaldirection\@nonamethylene[]}} -% \end{macrocode} -% \end{macro} - -% \begin{macro}{\nonamethylenei} -% \begin{macrocode} -\def\nonamethylenei{% -\@ifnextchar[{\set@inversedirection\@nonamethylene[@}{% -\set@inversedirection\@nonamethylene[]}} -% \end{macrocode} -% \end{macro} -% -% Inner temporary commands such as |\@@trinormorinv| and -% |\@@dinormorinv| in the common |\@nonamethylene| macro -% are replaced by active commands such as |\@@trimethylene| and -% |\@@dimethylene|. They carry out the following unit processes. -% \begin{enumerate} -% \item Adjusting substitution site: -% |\yltrimethyleneposition| -% or |\yldimethyleneposition| for normal direction; -% |\yltrimethyleneiposition| -% or |\yldimethyleneiposition| for inverse direction. -% \item Treating atom list, -% placing outer skeletons, inner double bonds, -% setting hetero atoms, and -% placing substituents: -% |\@@trimethylene| -% or |\@@dimethylene| for normal direction; -% |\@@trimethylenei| -% or |\@@dimethylenei| for normal direction. -% \end{enumerate} -% -% \begin{macro}{\@nonamethylene} -% \begin{macrocode} -\def\@nonamethylene[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -{\@linterchainswfalse% -\@rinterchainswtrue% -\@yltrinormorinv{#2}{#3}{0}{0}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\@rinterchainswtrue% -\@linterchainswtrue% -\@yltrinormorinv{#2}{#3}{1}{-2}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi -\else -{\@rinterchainswtrue% -\@linterchainswtrue% -\@yltrinormorinv{#2}{#3}{1}{-4}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-684}\def\@@yli{0}\fi -\else -{\@rinterchainswfalse% -\@linterchainswtrue% -\@yltrinormorinv{#2}{#3}{1}{-6}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-1026}\def\@@yli{0}\fi\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(1790,480)(-200,-180) - \iforigpt \put(-200,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `nonamethylene' origin: % - (0,0) ---> (200,180)}\fi% -\fi% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member b\relax -\@bdoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else\if\member B\relax -\@Bdoublebondtrue -\else\if\member c\relax%dummy -\else\if\member C\relax%dummy -\else\if\member d\relax%dummy -\else\if\member D\relax%dummy -\else\if\member e\relax%dummy -\else\if\member E\relax%dummy -\else\if\member f\relax%dummy -\else\if\member F\relax%dummy -\else\if\member g\relax%dummy -\else\if\member G\relax%dummy -\else\if\member h\relax%dummy -\else\if\member H\relax%dummy -\else - \expandafter\twoCH@@R\member//% - \set@fusion@nonameth% for all bonds -\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(0,0){\@@trinormorinv{#2}{#3}{0}{0}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member c\relax -\@adoublebondtrue -\else\if\member d\relax -\@bdoublebondtrue -\else\if\member C\relax -\@Adoublebondtrue -\else\if\member D\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(342,0){\@@trinormorinv{#2}{#3}{1}{-2}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member e\relax -\@adoublebondtrue -\else\if\member E\relax -\@Adoublebondtrue -\else\if\member f\relax -\@bdoublebondtrue -\else\if\member F\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(684,0){\@@trinormorinv{#2}{#3}{1}{-4}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member g\relax -\@adoublebondtrue -\else\if\member G\relax -\@Adoublebondtrue -\else\if\member h\relax -\@bdoublebondtrue -\else\if\member H\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% -\if@normorinvsw% inverse -\@wrongbdWafalse -\@wrongbdWdtrue -\else% normal -\@wrongbdWatrue -\@wrongbdWdfalse -\fi -\put(1026,0){\@@trinormorinv{#2}{#3}{1}{-6}}}% -\end{picture}}% end of \@nonamethylene -% \end{macrocode} -% \end{macro} -% -% The inner command |\set@fusion@nonameth| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@nonameth} -% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@nonameth}} -% \begin{macrocode} -\def\set@fusion@nonameth{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% -\if@normorinvsw - \if\@@tmpa h\relax% - \putlratom{1198}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{h}% - \else\if\@@tmpa H\relax% - \putlratom{1369}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{H}% - \else - \set@fusion@octameth - \fi\fi -\else - \if\@@tmpa h\relax% - \putlratom{1198}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{h}% - \else\if\@@tmpa H\relax% - \putlratom{1369}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{H}% - \else - \set@fusion@octameth - \fi\fi -\fi -}% end of the macro \set@fusion@nonameth -% \end{macrocode} -% \end{macro} -% -% \section{Decamethylenes of normal and inverse directions} -% -% Decamethylene and hetera derivatives are typeset with the commands -% |\decamethylene| and |\decamethylenei|. The former macro -% is to draw decamethylenes of normal direction, while the latter -% is to draw ones of inverse directions. -% -% \begin{verbatim} -% Normal direction: -% -% (bbb) ((bbb)) (((bbb))) -% bbb ddd fff hhh -% 2 4 6 8 10 -% a / ` b / c` d / e ` f /g ` h / i -% / ` / ` / ` / ` / -% 1 3 5 7 9 -% aaa ccc eee gggg (((ccc))) -% (aaa) (ccc) ((ccc)) -% ((aaa)) (((aaa))) -% -% Inverse direction: -% (((aaa))) -% (aaa) ((aaa)) ((ccc)) -% aaa ccc eee (ccc) ggg (((ccc))) -% 1 3 5 7 9 -% a ` b / ` c / d ` e /f ` g / h ` i -% ` / ` / ` / ` / ` -% 2 4 6 8 10 -% bbb ddd fff hhh -% (bbb) ((bbb)) (((bbb))) -% \end{verbatim} -% -% The macros have two arguments |ATOMLIST| and |SUBSLIST| -% as well as an optional argument |BONDLIST|. -% \begin{verbatim} -% \decamethylene[BONDLIST]{ATOMLIST}{SUBSLIST} -% \decamethylenei[BONDLIST]{ATOMLIST}{SUBSLIST} -% \end{verbatim} -% -% The |BONDLIST| argument contains one character selected from -% a to i (or A to I), -% each of which indicates the presence of an inner (endcyclic) double -% bond on the corresponding position. A lowercase letter is used -% to typeset a double bond at the upper-side of an outer skeletal bond, -% while an uppercase letter typesets a double bond at the lower-side of -% an outer skeletal bond. -% (Note that the option `A' represents an aromatic circle in -% commands |\sixheterov| etc.) -% -% \begin{verbatim} -% BONDLIST = -% -% [] or none : no double bond -% a : 1,2-double bond -% A : 1,2-double bond in an opposite side -% b : 2,3-double bond -% B : 2,3-double bond in an opposite side -% c : 3,4-double bond -% C : 3,4-double bond in an opposite side -% d : 4,5-double bond -% D : 4,5-double bond in an opposite side -% e : 5,6-double bond -% E : 5,6-double bond in an opposite side -% f : 6,7-double bond -% F : 6,7-double bond in an opposite side -% g : 7,8-double bond -% G : 7,8-double bond in an opposite side -% h : 8,9-double bond -% H : 8,9-double bond in an opposite side -% i : 9,10-double bond -% I : 9,10-double bond in an opposite side -% \end{verbatim} -% -% The |ATOMLIST| argument contains one or more heteroatom descriptors -% which are separated from each other by a semicolon. Each heteroatom -% descriptor consists of a locant number and a heteroatom, -% where these are separated with a double equality symbol. -% -% \begin{verbatim} -% -% ATOMLIST: list of heteroatoms (max 10 atoms) -% -% for n = 1 to 10 -% -% n==? : Hetero atom, e.g. N, O, etc. at n-position, -% e.g. 1==N for N at 1-position -% \end{verbatim} -% -% The |SUBSLIST| argument contains one or more substitution descriptors -% which are separated from each other by a semicolon. Each substitution -% descriptor has a locant number with a bond modifier and a substituent, -% where these are separated with a double equality symbol. -% \begin{verbatim} -% -% SUBSLIST: list of substituents -% -% for n = 1 to 10 -% -% nD : exocyclic double bond at n-atom -% n or nS : exocyclic single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% nSA : alpha single bond at n-atom (boldface) -% nSB : beta single bond at n-atom (dotted line) -% nSa : alpha (not specified) single bond at n-atom -% nSb : beta (not specified) single bond at n-atom -% nW : terminal single bond (n=1 or 10) -% -% \end{verbatim} -% -% Several examples are shown as follows. -% \begin{verbatim} -% e.g. -% -% \decamethylene{1==N}{1==Cl;2==F} -% \decamethylenei[b]{1==N}{1==Cl;4==F;2==CH$_{3}$} -% \end{verbatim} -% -% The macros |\decamethylene| and |\decamethylenei| are -% based on a common inner macro |\@decamethylene|, -% the definition of which uses a picture environment. -% \begin{macro}{\decamethylene} -% \begin{macrocode} -\def\decamethylene{% -\@ifnextchar[{\set@normaldirection\@decamethylene[@}{% -\set@normaldirection\@decamethylene[]}} -% \end{macrocode} -% \end{macro} -% -% \begin{macro}{\decamethylenei} -% \begin{macrocode} -\def\decamethylenei{% -\@ifnextchar[{\set@inversedirection\@decamethylene[@}{% -\set@inversedirection\@decamethylene[]}} -% \end{macrocode} -% \end{macro} -% -% Inner temporary commands such as |\@@trinormorinv| and -% |\@@dinormorinv| in the common |\@decamethylene| macro -% are replaced by active commands such as |\@@trimethylene| and -% |\@@dimethylene|. They carry out the following unit processes. -% \begin{enumerate} -% \item Adjusting substitution site: -% |\yltrimethyleneposition| -% or |\yldimethyleneposition| for normal direction; -% |\yltrimethyleneiposition| -% or |\yldimethyleneiposition| for inverse direction. -% \item Treating atom list, -% placing outer skeletons, inner double bonds, -% setting hetero atoms, and -% placing substituents: -% |\@@trimethylene| -% or |\@@dimethylene| for normal direction; -% |\@@trimethylenei| -% or |\@@dimethylenei| for normal direction. -% \end{enumerate} -% -% \begin{macro}{\@decamethylene} -% \begin{macrocode} -\def\@decamethylene[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -{\@linterchainswfalse% -\@rinterchainswtrue% -\@yltrinormorinv{#2}{#3}{0}{0}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\@rinterchainswtrue% -\@linterchainswtrue% -\@yltrinormorinv{#2}{#3}{1}{-2}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi -\else -{\@rinterchainswtrue% -\@linterchainswtrue% -\@yltrinormorinv{#2}{#3}{1}{-4}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-684}\def\@@yli{0}\fi -\else -{\@rinterchainswtrue% -\@linterchainswtrue% -\@yltrinormorinv{#2}{#3}{1}{-6}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-1026}\def\@@yli{0}\fi -\else -{\@rinterchainswfalse% -\@linterchainswtrue% -\@yldinormorinv{#2}{#3}{1}{-8}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-1368}\def\@@yli{0}\fi\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(1960,480)(-200,-180) - \iforigpt \put(-200,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `decamethylene' origin: % - (0,0) ---> (200,180)}\fi% -\fi% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member b\relax -\@bdoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else\if\member B\relax -\@Bdoublebondtrue -\else\if\member c\relax%dummy -\else\if\member C\relax%dummy -\else\if\member d\relax%dummy -\else\if\member D\relax%dummy -\else\if\member e\relax%dummy -\else\if\member E\relax%dummy -\else\if\member f\relax%dummy -\else\if\member F\relax%dummy -\else\if\member g\relax%dummy -\else\if\member G\relax%dummy -\else\if\member h\relax%dummy -\else\if\member H\relax%dummy -\else\if\member i\relax%dummy -\else\if\member I\relax%dummy -\else - \expandafter\twoCH@@R\member//% - \set@fusion@decameth% for all bonds -\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(0,0){\@@trinormorinv{#2}{#3}{0}{0}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member c\relax -\@adoublebondtrue -\else\if\member d\relax -\@bdoublebondtrue -\else\if\member C\relax -\@Adoublebondtrue -\else\if\member D\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(342,0){\@@trinormorinv{#2}{#3}{1}{-2}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member e\relax -\@adoublebondtrue -\else\if\member E\relax -\@Adoublebondtrue -\else\if\member f\relax -\@bdoublebondtrue -\else\if\member F\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(684,0){\@@trinormorinv{#2}{#3}{1}{-4}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member g\relax -\@adoublebondtrue -\else\if\member G\relax -\@Adoublebondtrue -\else\if\member h\relax -\@bdoublebondtrue -\else\if\member H\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(1026,0){\@@trinormorinv{#2}{#3}{1}{-6}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member i\relax -\@adoublebondtrue -\else\if\member I\relax -\@Adoublebondtrue -\fi\fi}% -\if@normorinvsw% inverse -\@wrongbdWatrue -\@wrongbdWdfalse -\else% normal -\@wrongbdWafalse -\@wrongbdWdtrue -\fi -\put(1368,0){\@@dinormorinv{#2}{#3}{1}{-8}}}% -\end{picture}}% end \@decamethylene -% \end{macrocode} -% \end{macro} -% -% The inner command |\set@fusion@decameth| is used for typesetting -% a fused ring at each bond represented by |\@@tmpa|. Warnings -% concerning mismatched ring-fusions are based on the command -% |\FuseWarning|. -% -% \begin{macro}{\set@fusion@decameth} -% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@decameth}} -% \begin{macrocode} -\def\set@fusion@decameth{% -% %%%%%%%%%%%%%%%%%%%%% -% % inner bond fusion % -% %%%%%%%%%%%%%%%%%%%%% -\if@normorinvsw - \if\@@tmpa h\relax% - \putlratom{1198}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{h}% - \else\if\@@tmpa H\relax% - \putlratom{1369}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{H}% - \else\if\@@tmpa i\relax% - \putlratom{1369}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{i}% - \else\if\@@tmpa I\relax% - \putlratom{1540}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{I}% - \else - \set@fusion@octameth - \fi\fi\fi\fi -\else - \if\@@tmpa h\relax% - \putlratom{1198}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{h}% - \else\if\@@tmpa H\relax% - \putlratom{1369}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{H}% - \else\if\@@tmpa i\relax% - \putlratom{1369}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{i}% - \else\if\@@tmpa I\relax% - \putlratom{1540}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{I}% - \else - \set@fusion@octameth - \fi\fi\fi\fi -\fi% -}% end of the macro \set@fusion@decameth -% -% \end{macrocode} -% \end{macro} -% -% \Finale -% -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/methylen.ins b/Master/texmf-dist/source/latex/xymtex/methylen.ins deleted file mode 100644 index 660232fd285..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/methylen.ins +++ /dev/null @@ -1,49 +0,0 @@ -\def\batchfile{methylen.ins} -\input docstrip.tex -\preamble - -This is a generated file. - -Copyright 1998 by Shinsaku Fujita - -This file is part of the XyMTeX system. -======================================= - -Version 1.02 Released on October 31, 1996 (private version) -Version 2.00 Released on December 25, 1998 - -Copyright (C) 1998 by Shinsaku Fujita, all rights reserved. -This style file is created for drawing chemical structural formulas -This style file is to be contained in the ``xymtex'' directory which -is an input directory for TeX. - -Copying of this file is authorized only if either - - (1) you make absolutely no changes to your copy, including name and - directory name - (2) if you do make changes, - (a) you name it something other than the names included in the - ``xymtex'' directory and - (b) you acknowledge the original name. - This restriction ensures that all standard styles are identical. - -======================================= - -This file contains several codes modified from latex.tex (LaTeX2.09) -and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -Copyright 1994 the LaTeX3 project and the individual authors (For further -copyright information see the file legal.txt of the LaTeX2e standard -distribution, and any other copyright indicated in this file.) - -\endpreamble - -\keepsilent - -\generateFile{methylen.drv}{t}{% - \from{methylen.dtx}{driver}} - -\generateFile{methylen.sty}{t}{% - \from{methylen.dtx}{methylen}} - -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/polymers.drv b/Master/texmf-dist/source/latex/xymtex/polymers.drv deleted file mode 100644 index 90b85d949e9..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/polymers.drv +++ /dev/null @@ -1,81 +0,0 @@ -%% -%% This is file `polymers.drv', -%% generated with the docstrip utility. -%% -%% The original source files were: -%% -%% polymers.dtx (with options: `driver') -%% -%% This is a generated file. -%% -%% Copyright 1996,1998 by Shinsaku Fujita -%% -%% This file is part of the XyMTeX system. -%% ======================================= -%% -%% Version 1.01 Released on August 16, 1996 -%% Version 1.02 Released on October 31, 1996 (private version) -%% Version 2.00 Released on December 25, 1998 -%% -%% Copyright (C) 1998 by Shinsaku Fujita, all rights reserved. -%% This style file is created for drawing chemical structural formulas -%% This style file is to be contained in the ``xymtex'' directory which -%% is an input directory for TeX. -%% -%% Copying of this file is authorized only if either -%% -%% (1) you make absolutely no changes to your copy, including name and -%% directory name -%% (2) if you do make changes, -%% (a) you name it something other than the names included in the -%% ``xymtex'' directory and -%% (b) you acknowledge the original name. -%% This restriction ensures that all standard styles are identical. -%% -%% ======================================= -%% -%% This file contains several codes modified from latex.tex (LaTeX2.09) -%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -%% Copyright 1994 the LaTeX3 project and the individual authors (For further -%% copyright information see the file legal.txt of the LaTeX2e standard -%% distribution, and any other copyright indicated in this file.) -%% -%% File: polymers.dtx -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -\NeedsTeXFormat{pLaTeX2e} -\ProvidesFile{polymers.dtx}[1998/12/25 v2.00 XyMTeX{} package file] -\documentclass{ltxdoc} -\GetFileInfo{polymers.dtx} -\def\UPSILON{\char'7} -\def\XyM{X\kern-.30em\smash{% -\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}} -\def\XyMTeX{\XyM\kern-.1em\TeX} -\title{Polymers by {\sffamily polymers.sty} -(\fileversion) of \XyMTeX{}} -\author{Shinsaku Fujita \\ -Department of Chemistry and Materials Technology, \\ -Kyoto Institute of Technology, \\ -Matsugasaki, Sakyoku, Kyoto, 606 Japan -} -\date{\filedate} -\begin{document} - \maketitle - \DocInput{polymers.dtx} -\end{document} -\endinput -%% -%% End of file `polymers.drv'. diff --git a/Master/texmf-dist/source/latex/xymtex/polymers.dtx b/Master/texmf-dist/source/latex/xymtex/polymers.dtx deleted file mode 100644 index 843f326e9a7..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/polymers.dtx +++ /dev/null @@ -1,717 +0,0 @@ -% \iffalse meta-comment -%% File: polymers.dtx -% -% Copyright 1996, 1998 by Shinsaku Fujita -% -% This file is part of XyMTeX system. -% ------------------------------------- -% -% This file is a part of the macro package ``XyMTeX'' which has been -% designed for typesetting chemical structural formulas. -% -% This file is to be contained in the ``xymtex'' directory which is -% an input directory for TeX. It is a LaTeX optional style file and -% should be used only within LaTeX, because several macros of the file -% are based on LaTeX commands. -% -% For the review of XyMTeX, see -% (1) Shinsaku Fujita, ``Typesetting structural formulas with the text -% formatter TeX/LaTeX'', Computers and Chemistry, in press. -% The following book deals with an application of TeX/LaTeX to -% preparation of manuscripts of chemical fields: -% (2) Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' -% Tokyo Kagaku Dozin, Tokyo (1993) [in Japanese]. -% -% Copying of this file is authorized only if either -% (1) you make absolutely no changes to your copy, including name and -% directory name; or -% (2) if you do make changes, -% (a) you name it something other than the names included in the -% ``xymtex'' directory and -% (b) you are requested to leave this notice intact. -% This restriction ensures that all standard styles are identical. -% -% Please report any bugs, comments, suggestions, etc. to: -% Shinsaku Fujita, -% Ashigara Research Laboratories, Fuji Photo Film Co., Ltd., -% Minami-Ashigara, Kanagawa-ken, 250-01, Japan. -% -% New address: -% Shinsaku Fujita, -% Department of Chemistry and Materials Technology, -% Kyoto Institute of Technology, \\ -% Matsugasaki, Sakyoku, Kyoto, 606 Japan -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{polymers} -% \def\versi@ndate{August 16, 1996} -% \def\versi@nno{ver1.00} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{polymers} -% \def\versi@ndate{October 31, 1998} -% \def\versi@nno{ver1.02} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% -% \fi -% -% \CheckSum{503} -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -% -% \setcounter{StandardModuleDepth}{1} -% -% \StopEventually{} -% \MakeShortVerb{\|} -% -% \iffalse -% \changes{v1.00}{1996/07/07}{first edition for LaTeX2e} -% \changes{v1.02}{1998/10/31}{revised edition for LaTeX2e} -% \changes{v2.00}{1998/12/25}{enhanced edition for LaTeX2e} -% \fi -% -% \iffalse -%<*driver> -\NeedsTeXFormat{pLaTeX2e} -% \fi -\ProvidesFile{polymers.dtx}[1998/12/25 v2.00 XyMTeX{} package file] -% \iffalse -\documentclass{ltxdoc} -\GetFileInfo{polymers.dtx} -% -% %%XyMTeX Logo: Definition 2%%% -\def\UPSILON{\char'7} -\def\XyM{X\kern-.30em\smash{% -\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}} -\def\XyMTeX{\XyM\kern-.1em\TeX} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\title{Polymers by {\sffamily polymers.sty} -(\fileversion) of \XyMTeX{}} -\author{Shinsaku Fujita \\ -Department of Chemistry and Materials Technology, \\ -Kyoto Institute of Technology, \\ -Matsugasaki, Sakyoku, Kyoto, 606 Japan -% % (old address) -% % Ashigara Research Laboratories, -% % Fuji Photo Film Co., Ltd., \\ -% % Minami-Ashigara, Kanagawa, 250-01 Japan -} -\date{\filedate} -% -\begin{document} - \maketitle - \DocInput{polymers.dtx} -\end{document} -% -% \fi -% -% \section{Introduction}\label{polymers:intro} -% -% \subsection{Options for {\sffamily docstrip}} -% -% \DeleteShortVerb{\|} -% \begin{center} -% \begin{tabular}{|l|l|} -% \hline -% \emph{option} & \emph{function}\\ \hline -% polymers & polymers.sty \\ -% driver & driver for this dtx file \\ -% \hline -% \end{tabular} -% \end{center} -% \MakeShortVerb{\|} -% -% \subsection{Version Information} -% -% \begin{macrocode} -%<*polymers> -\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00} -\typeout{ -- Released December 25, 1998 by Shinsaku Fujita} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\def\j@urnalname{polymers} -\def\versi@ndate{December 25, 1998} -\def\versi@nno{ver2.00} -\def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>% -\space[\copyrighth@lder]} -% \end{macrocode} -% -% \section{List of commands for polymers.sty} -% -% \begin{verbatim} -% ********************************** -% * polymers.sty: list of commands * -% ********************************** -% -% -% -% \leftPMdelim \rightPMdelim -% \leftpmdelim \rightpmdelim -% -% \leftPolymer \leftpolymer -% \rightPolymer \rightpolymer -% -% \leftsqrPolymer \leftSqrpolymer -% \lsqrdelimiter \leftsqrpolymer -% -% \rightsqrPolymer \rightSqrpolymer -% \rsqrdelimiter \rightsqrpolymer -% -% \@sqrpolymer -% \sqrpolymer \Sqrpolymer -% \mpolymer -% -% -% -% \WestPbond \EastPbond -% \sbond -% -% -% -% \polyethylene \@polyethylene -% \polystyrene \@polystyrene -% -% \end{verbatim} -% -% \section{Input of basic macros} -% -% To assure the compatibility to \LaTeX{}2.09 (the native mode), -% the commands added by \LaTeXe{} have not been used in the resulting sty -% files ({\sf polymers.sty} for the present case). Hence, the combination -% of |\input| and |\@ifundefined| is used to crossload sty -% files ({\sf chemstr.sty} etc. for the present case) in place of the -% |\RequirePackage| command of \LaTeXe{}. -% -% \begin{macrocode} -% ************************* -% * input of basic macros * -% ************************* -\@ifundefined{setsixringv}{\input chemstr.sty\relax}{} -\@ifundefined{Westbond}{\input aliphat.sty\relax}{} -\@ifundefined{bzdrv}{\input carom.sty\relax}{} -\unitlength=0.1pt -% \end{macrocode} -% -% \begin{macrocode} -% **************************************************** -% * For separating an augument list to each argument * -% **************************************************** -% -\def\@forsemicol#1:=#2\do#3{% -%% \edef\@fortmp{#2}\ifx\@fortmp\@empty% - \expandafter\def\expandafter\@fortmp\expandafter{#2}% - \ifx\@fortmp\@empty% - \else% - \expandafter\@forl@@p#2;\@nil;\@nil\@@#1{#3}\fi} -% \end{macrocode} -% -% \section{Delimeters for polymer units} -% -% \subsection{Right and left delimeters} -% -% A polymer structure has a unit surrounded by -% parentheses or other delimeters. For drawing a -% parenthesis as the part of a substituent, -% the following commands are prepared. -% -% \subsubsection{Parentheses} -% -% \begin{macro}{\leftPMdelim} -% \begin{macro}{\leftpmdelim} -% \begin{macrocode} -% ******************************** -% * Delimeters for polymer units * -% ******************************** -\def\leftPMdelim#1{$\mathstrut #1$} -\def\leftpmdelim{\leftPMdelim{\biggm(}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\rightPMdelim} -% \begin{macro}{\rightpmdelim} -% \begin{macrocode} -\def\rightPMdelim#1#2{% - $\mathstrut #1_{\mkern-5mu #2}$} -\def\rightpmdelim#1{\rightPMdelim{\biggm)}{#1}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The command |\leftpolymer| typesets the left parenthesis of -% a polymer unit. -% The command |\leftPolymer| is the inner commend of |\leftpolymer|, -% where a delimeter can be selected as an argument. -% -% \begin{macro}{\leftPolymer} -% \begin{macro}{\leftpolymer} -% \begin{macrocode} -\def\leftPolymer#1#2{% -\begin{picture}(0,0)(0,0) -\putlatom{0}{0}{#2} -\putlatom{120}{0}{$#1$} -\end{picture}} -\def\leftpolymer#1{\leftPolymer{\biggm(}{#1}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The command |\rightpolymer| typesets the left parenthesis of -% a polymer unit along with a repeating number as a subscript. -% The command |\rightPolymer| is the inner commend of |\rightpolymer|, -% where a delimeter can be selected as an argument. -% -% \begin{macro}{\Rightpolymer} -% \begin{macro}{\rightpolymer} -% \begin{macrocode} -\def\rightPolymer#1#2#3{% -\begin{picture}(0,0)(0,0) -\putratom{0}{0}{#2} -\putratom{-150}{0}{% -% $\mathstrut#1_{\mkern-3mu \mbox{\scriptsize\rm #3}}$} - $\mathstrut#1_{\mkern-2mu #3}$} -\end{picture}} -\def\rightpolymer#1#2{\rightPolymer{\biggm)}{#1}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \subsubsection{Brackets} -% -% The command |\leftSqrpolymer| typesets the left bracket of -% a polymer unit. -% The command |\leftsqrPolymer| is the inner commend of |\leftSqrpolymer|, -% where a delimeter can be selected as an argument. -% The bracket selected by the command |\leftSqrpolymer| is -% a \TeX{} big mathematical symbol, -% the line of which is -% boldfaced. -% -% \begin{macro}{\leftsqrPolymer} -% \begin{macro}{\leftSqrpolymer} -% \begin{macrocode} -\def\leftsqrPolymer#1#2{% -\begin{picture}(0,0)(0,0) -\putlatom{0}{0}{#2} -\putlatom{120}{0}{$#1$} -\end{picture}} -\def\leftSqrpolymer#1{\leftsqrPolymer{\Biggm[}{#1}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The command |\rightSqrpolymer| typesets the right bracket of -% a polymer unit. -% The command |\rightsqrPolymer| is the inner commend of |\rightSqrpolymer|, -% where a delimeter can be selected as an argument. -% The bracket selected by the command |\rightSqrpolymer| is -% a \TeX{} big mathematical symbol, -% the line of which is boldfaced. -% -% \begin{macro}{\rightsqrPolymer} -% \begin{macro}{\rightSqrpolymer} -% \begin{macrocode} -\def\rightsqrPolymer#1#2#3{% -\begin{picture}(0,0)(0,0) -\putratom{0}{0}{#2} -\putratom{-150}{0}{% -% $\mathstrut #1_{\mbox{\scriptsize\rm #3}}$} - $\mathstrut #1_{#3}$} -\end{picture}} -\def\rightSqrpolymer#1#2{\rightsqrPolymer{\Biggm]}{#1}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% For drawing polymer brackets of thin line width, -% we prepare the command |\lsqrdelimiter|. The height of -% the bracket can be designated by the argument of this -% command. The command -% is used to define the command |\leftsqrpolymer|. -% This command typesets a left bracket of thin line width. -% -% \begin{macro}{\lsqrdelimiter} -% \begin{macro}{\leftsqrpolymer} -% \begin{macrocode} -\def\lsqrdelimiter#1{% -\hbox{\vrule \@width\fboxrule -$\vcenter to#1{% -\hrule \@height\fboxrule \@width\fboxsep -\vfill -\hrule \@height\fboxrule \@width\fboxsep}$}} -\def\leftsqrpolymer#1{% - \leftsqrPolymer{\lsqrdelimiter{300\unitlength}}{#1}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% The command |\rsqrdelimiter| is -% used to define the command |\rightsqrpolymer|, which -% typesets a right bracket of thin line width. -% -% \begin{macro}{\rsqrdelimiter} -% \begin{macro}{\rightsqrpolymer} -% \begin{macrocode} -\def\rsqrdelimiter#1{% -\hbox{$\vcenter to#1{% -\hrule \@height\fboxrule \@width\fboxsep \vfill -\hrule \@height\fboxrule \@width\fboxsep}$\kern-\fboxrule -\vrule \@width\fboxrule\kern2pt}} -\def\rightsqrpolymer#1#2{% -\rightsqrPolymer{\rsqrdelimiter{300\unitlength}}{#1}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \subsection{Pairs of delimeters} -% -% The command |\sqrpolymer| typesets a pair of thin-line brackets that -% surrounds a polymer unit after measuring the height of -% the unit. On the other hand, -% the command |\Sqrpolymer| typesets a pair of thick-line brackets. -% Both of the commands are based on the inner macro |\@sqrpolymer|, -% in which a line width is designated by means of an argument. -% -% \begin{macro}{\@sqrpolymer} -% \begin{macro}{\sqrpolymer} -% \begin{macro}{\Sqrpolymer} -% \begin{macrocode} -\long\def\@sqrpolymer#1#2#3{% -\begingroup \fboxrule=#1 - \leavevmode\setbox\@tempboxa\hbox{#2}\@tempdima\fboxrule - \advance\@tempdima \fboxsep \advance\@tempdima \dp\@tempboxa - \@tempdimb=\wd\@tempboxa - \advance\@tempdimb by \fboxsep - \advance\@tempdimb by \fboxsep - \advance\@tempdimb by \fboxrule - \advance\@tempdimb by \fboxrule - \hbox{\lower \@tempdima\hbox - {\vbox{ - \hbox to\@tempdimb{% - \vrule \@height \fboxrule \@width\fboxsep\hfill - \vrule \@height \fboxrule \@width\fboxsep} - \nointerlineskip - \hbox{\vrule \@width \fboxrule \hskip\fboxsep - \vbox{\vskip\fboxsep \copy\@tempboxa\vskip\fboxsep}\hskip - \fboxsep\vrule \@width \fboxrule} - \nointerlineskip - \hbox to\@tempdimb{% - \vrule \@height \fboxrule \@width\fboxsep\hfill - \vrule \@height \fboxrule \@width\fboxsep}}}}% -\kern2pt\lower\@tempdima\hbox{\scriptsize$#3$}\endgroup} -\long\def\sqrpolymer#1#2{\@sqrpolymer{0.4pt}{#1}{#2}} -\long\def\Sqrpolymer#1#2{\@sqrpolymer{1pt}{#1}{#2}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% -% The command |\mpolymer| typesets a pair of parentheses that -% surrounds a polymer unit after measuring the height of -% the unit. -% -% \begin{macro}{\mpolymer} -% \begin{macrocode} -\long\def\mpolymer#1#2{% - \leavevmode\setbox\@tempboxa\hbox{#1}\@tempdima\fboxrule - \advance\@tempdima \fboxsep \advance\@tempdima \dp\@tempboxa - \hbox{\lower \@tempdima\hbox{\vbox{\hbox{\hskip\fboxsep% - $\left(\vcenter{\vskip\fboxsep \copy\@tempboxa\vskip\fboxsep}% - \right)_{#2}$}}}}} -% \end{macrocode} -% \end{macro} -% -% \section{Commands for drawing polymers} -% -% \subsection{Bonds for polymers} -% -% The original commands -% |\Westbond| and |\Eastbond| are changed into -% |\WestPbond| and |\EastPbond|, where each bond is lengthened -% for making a space for drawing delimiters. -% -% \begin{macro}{\WestPbond} -% \begin{macro}{\EastPbond} -% \begin{macro}{\sbond} -% \begin{macrocode} -% ********************** -% * Bonds for polymers * -% ********************** -\def\WestPbond{% -\begin{picture}(100,100)(0,0) -\put(-100,0){\Westbond} -\put(-60,0){\line(-1,0){90}} -\end{picture}} -\def\EastPbond{% -\begin{picture}(100,100)(0,0) -\put(100,0){\Eastbond} -\put(60,0){\line(1,0){90}} -\end{picture}} -\def\sbond{% -\begin{picture}(160,0)(0,0) -\put(0,33){\line(1,0){160}} -\end{picture}} -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \subsection{Polyethylene unit} -% -% The command |\polyethylene| is used to draw polyethylene derivatives, -% in which each substituent is designated by the |SUBSLIST|. -% The following numbering is used in this macro. -% -% \begin{verbatim} -% ******************** -% * polyethylene unit* -% ******************** -% -% The following numbering is adopted in this macro. -% -% | 1 6 | -% | | -% | | | | -% 2 ---- (1) -- (2) ---- 5 -% | | (0) | | -% | | -% | 3 4 |0 -% \end{verbatim} -% -% The command |\polyethylene| has arguments, -% |CALIST| and |SUBSLIST|, as well as an optional argument |AUXLIST|. -% \begin{verbatim} -% \polyethylene[AUXLIST]{CALIST}{SUBSLIST} -% \end{verbatim} -% -% The optional argument |AUXLIST| is used for -% typesetting auxiliary symbols on central atoms. -% \begin{verbatim} -% AUXLIST = -% -% {n+} : + charge (or another one chararacter) on the center -% \end{verbatim} -% -% The argument |CALIST| is used for indicating center atoms. -% \begin{verbatim} -% CALIST: central atom list -% -% for 1 : cetral atom (e.g. 1==C) -% 2 : cetral atom (e.g. 2==C) -% 0 : cetral bond (e.g. 0D==) -% \end{verbatim} -% -% The argument |SUBSLIST| is used for indicating substituents. -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 4 -% -% nT : triple bond at n-atom -% nD : double bond at n-atom -% n or nS : single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% \end{verbatim} -% -% \begin{macro}{\if@centbondsw} -% \begin{macro}{\if@centatswi} -% \begin{macro}{\if@centatswii} -% \begin{macrocode} -\newif\if@centbondsw \@centbondswfalse -\newif\if@centatswi \@centatswifalse -\newif\if@centatswii \@centatswiifalse -% \end{macrocode} -% \end{macro} -% \end{macro} -% \end{macro} -% -% \begin{macro}{\polyethylene} -% \begin{macro}{\@polyethylene} -% \begin{macrocode} -\def\polyethylene{\@ifnextchar[{\@polyethylene}{\@polyethylene[]}} -\def\@polyethylene[#1]#2#3{% - \begin{picture}(1100,600)(-400,-300)% - \iforigpt \put(-400,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `polyethylene' origin: % - (\the\noshift,\the\noshift) ---> (400,300)}\fi% -% \end{macrocode} -% -% \begin{macrocode} -% ************ -% * aux list * -% ************ -\def\@@@temp{#1} -\ifx\@@@temp\empty\else -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \ifcase\@@tmpa - \or \relax \putratom{47}{50}{\scriptsize\@@tmpb}% - \or \relax \putratom{347}{50}{\scriptsize\@@tmpb}% -\fi}\fi -% \end{macrocode} -% -% \begin{macrocode} -% ***************** -% * central atoms * -% ***************** -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% - \expandafter\threech@r\@membera{}{}% - \ifcase\@tmpa \global\@centbondswtrue \put(20,0){\Eastbond}% - \or \global\@centatswitrue \putlratom{-40}{-33}{\@memberb}% - \or \global\@centatswiitrue \putlratom{260}{-33}{\@memberb}% -\fi\fi}% -\if@centatswi \else \putlratom{-40}{-33}{C}\fi -\if@centatswii \else \putlratom{260}{-33}{C}\fi -\if@centbondsw \else \put(70,0){\line(1,0){160}}\fi -\global\@centbondswfalse -\global\@centatswifalse -\global\@centatswiifalse -% \end{macrocode} -% -% \begin{macrocode} -% **************** -% * Substituents * -% **************** -\gdef\numrepeated{x} -\@forsemicol\member:=#3\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifcase\@tmpa \gdef\numrepeated{\@memberb}% -\or\put(0,0){\Northbond}% -\or\put(0,0){\WestPbond}% -\or\put(0,0){\Southbond}% -\or\put(300,0){\Southbond}% -\or\put(300,0){\EastPbond}% -\or\put(300,0){\Northbond}% -\fi\fi}%end of ifcase -% \end{macrocode} -% -% \begin{macrocode} -% ************** -% * Delimeters * -% ************** -\put(-200,-33){\leftpmdelim} -\put(400,-33){\rightpmdelim{\numrepeated}} -\end{picture}}%end of macro polyethylene -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \subsection{Polyestyrene unit} -% -% The command |\polyestrene| is used to draw polystyrene derivatives, -% in which substituents on both the polymer chain and the phenyl group -% are designated by the |SUBSLIST| and |PHSUBSLIST|, respectively. -% The following numbering is adopted in this macro. -% \begin{verbatim} -% ******************** -% * polystyrene unit * -% ******************** -% -% | 1 6 | -% | | -% | | | | -% 2 ---- (1) -- (2) ---- 5 -% | | (0) | | -% | | | -% | 3 | |0 -% / ` -% 6 | | 2 -% | | -% 5 ` / 3 -% ` -% 4 -% \end{verbatim} -% -% The command |\polyethylene| has arguments, -% |CALIST|, |SUBSLIST| and |PHSUBSLIST|, -% as well as an optional argument |AUXLIST|. -% \begin{verbatim} -% \polystyrene[AUXLIST]{CALIST}{SUBSLIST}{PHSUBSLIST} -% \end{verbatim} -% -% The optional argument |AUXLIST| is used for -% typesetting auxiliary symbols on central atoms. -% \begin{verbatim} -% AUXLIST = -% -% {n+} : + charge (or another one chararacter) on the center -% \end{verbatim} -% -% The argument |CALIST| is used for indicating center atoms. -% \begin{verbatim} -% CALIST: central atom list -% -% for 1 : cetral atom (e.g. 1==C) -% 2 : cetral atom (e.g. 2==C) -% 0 : cetral bond (e.g. 0D==) -% \end{verbatim} -% -% The argument |SUBSLIST| is used for indicating substituents on -% the polymer chain. -% \begin{verbatim} -% SUBSLIST: list of substituents -% -% for n = 1 to 4 -% -% nT : triple bond at n-atom -% nD : double bond at n-atom -% n or nS : single bond at n-atom -% nA : alpha single bond at n-atom -% nB : beta single bond at n-atom -% \end{verbatim} -% -% The argument |PHSUBSLIST| is used for indicating substituents on -% the phenyl group. -% \begin{verbatim} -% PHSUBSLIST: list of phenyl substituents -% -% for n = 2 to 6 -% -% n or nS : single bond at n-atom -% \end{verbatim} -% -% \begin{macro}{\polyethylene} -% \begin{macro}{\@polyethylene} -% \begin{macrocode} -\def\polystyrene{\@ifnextchar[{\@polystyrene}{\@polystyrene[]}} -\def\@polystyrene[#1]#2#3#4{% -\begin{picture}(1100,1200)(0,-640)% - \iforigpt \put(0,-640){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `polystyrene' origin: % - (\the\noshift,\the\noshift) ---> (0,640)}\fi% -\begingroup \origptfalse -\put(0,0){\polyethylene[#1]{#2}{#3}}% -\put(700,0){\line(0,1){240}}% -\put(300,-646){\bzdrv{#4}}% -\endgroup -\end{picture}}%end of macro polystyrene -% -% \end{macrocode} -% \end{macro} -% \end{macro} -% -% \Finale -% -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/polymers.ins b/Master/texmf-dist/source/latex/xymtex/polymers.ins deleted file mode 100644 index 66e71995c27..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/polymers.ins +++ /dev/null @@ -1,50 +0,0 @@ -\def\batchfile{polymers.ins} -\input docstrip.tex -\preamble - -This is a generated file. - -Copyright 1996,1998 by Shinsaku Fujita - -This file is part of the XyMTeX system. -======================================= - -Version 1.01 Released on August 16, 1996 -Version 1.02 Released on October 31, 1996 (private version) -Version 2.00 Released on December 25, 1998 - -Copyright (C) 1998 by Shinsaku Fujita, all rights reserved. -This style file is created for drawing chemical structural formulas -This style file is to be contained in the ``xymtex'' directory which -is an input directory for TeX. - -Copying of this file is authorized only if either - - (1) you make absolutely no changes to your copy, including name and - directory name - (2) if you do make changes, - (a) you name it something other than the names included in the - ``xymtex'' directory and - (b) you acknowledge the original name. - This restriction ensures that all standard styles are identical. - -======================================= - -This file contains several codes modified from latex.tex (LaTeX2.09) -and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -Copyright 1994 the LaTeX3 project and the individual authors (For further -copyright information see the file legal.txt of the LaTeX2e standard -distribution, and any other copyright indicated in this file.) - -\endpreamble - -\keepsilent - -\generateFile{polymers.drv}{t}{% - \from{polymers.dtx}{driver}} - -\generateFile{polymers.sty}{t}{% - \from{polymers.dtx}{polymers}} - -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/source/latex/xymtex/xymtex2.jpn b/Master/texmf-dist/source/latex/xymtex/xymtex2.jpn deleted file mode 100644 index 341acf60360..00000000000 --- a/Master/texmf-dist/source/latex/xymtex/xymtex2.jpn +++ /dev/null @@ -1,86 +0,0 @@ -xymtex2.jpn -XyMTeXのオンラインドキュメント (日本語版) -Copyright (C) 1993, 1996, 1998 by Shinsak Fujita. All rights reserved. -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -(旧)xymtex1.jpnを改名 -XyMTeXのオンラインドキュメント (日本語版) -Copyright (C) 1993, 1996 by Shinsak Fujita. All rights reserved. -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -`XyMTeX' は化学構造式を描くためのマクロパッケージです。 - -(1) 設定 - - このマクロパッケージは、LHAで圧縮されています。この解凍は、次のように -　行います。 -　　まず、圧縮されたxymtex2.lzhが、ディレクトリーb:にあるとします。解凍先を -　ディレクトリーa:\texとします。ディレクトリーa:\texに入ったのち、コマンド -　ラインに次のように入力します。 - - a:\tex>lha x b:\xymtex2 - -　この結果、解凍が行われて、ディリクトリー\xymtexが自動的に発生します。 -　発生したディレクトリーは、階層を略さずに書けば、a:\tex\xymtexとなります。 -　このディレクトリーの中に、XyMTeXの各種スタイルファイルやドキュメント類 -　が次のように展開されています。 - - a---\tex---\xymtex --- hetaromh.sty, hetarom.sty, ccycle.sty, - | | | chemstr.sty, carom.sty, lowcycl.sty, aliphat.sty, - | hcycle.sty, locant.sty, polymers.sty, chemist.sty - | methylen.sty, fusering.sty - | - | (dtx files) - | - |--\drvdvi---drv files, dvi files - | - |--\doc200--- xymtx200.tex, xymtx200.dvi, - | xymyl.tex, xymadd.tex - | (other files for the document preparation) - | - |---xymtex1.doc (英語版オンラインドキュメント) - | - |---xymtex1.jpn (このドキュメント) - | - |---readme1.doc (覚え書き) - | - |---readme1.jpn (覚え書き) - -　　同時にアップロードしたxymtx200.dviは、本システムに含まれるコマンドの -　使用例と仕様を示したものです。プリンタードライバーやプレビューアーにかけて -　ご覧下さい。約100ページです。 -　　また、ディレクトリー\doc200に含まれるxymtx200.texは、xymtx200.dviを発生する - ためのtexファイルです。両者を比較すると、構造式を書くときのヒントが得 - られるでしょう。 - -(2) サーチパスの設定。 - -　　XyMTeXを使うには、次のようにサーチパスを設定します。この設定は、 -　上記の解凍操作によって発生したことを前提にしています。他のディレクトリー -　階層にした場合は、それに応じてサーチパスを設定して下さい．多分 - ディレクトリー\tex\texmf\web2cに\texmf.cnfが含まれているので， - これにパスを追加してください． - For example, you add - - platex2e_inputs = .;$TEXMF/tex/platex2e//;$TEXMF/tex/latex2e//; - $TEXMF/tex//;a:/tex/inputs//; - a:/tex/chem//;a:/tex/xymtex//;a:/tex/opsty// - ~~~~~~~~~~~~~~~ <---- 追加 -(3) 原稿への記入事項 - -　　XyMTeXの命令を使うには、その命令の含まれているスタイルファイルを -　オプション指定する必要があります。たとえば、hetarom.styとhetaromh.styを -　使うときには、 - - \documentclass{article} - \usepackage{epic,hetarom,hetaromh} - ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -　と、原稿の先頭に記入します。いちいち指定するのが面倒ならば， - - \documentclass{article} - \usepackage{xymtex} - - と指定すると，XyMTeX関係のstyファイルがすべて読み込まれます． - -(4) LaTeXeまたはpLaTeX2eの起動 - -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%(END) - \ No newline at end of file diff --git a/Master/texmf-dist/tex/latex/xymtex/aliphat.sty b/Master/texmf-dist/tex/latex/xymtex/aliphat.sty deleted file mode 100644 index 7ba5a100403..00000000000 --- a/Master/texmf-dist/tex/latex/xymtex/aliphat.sty +++ /dev/null @@ -1,1464 +0,0 @@ -%% -%% This is file `aliphat.sty', -%% generated with the docstrip utility. -%% -%% The original source files were: -%% -%% aliphat.dtx (with options: `aliphat') -%% -%% This is a generated file. -%% -%% Copyright 1996, 1998 by Shinsaku Fujita -%% -%% This file is part of the XyMTeX system. -%% ======================================= -%% -%% Version 1.01 Released on August 16, 1996 -%% Version 1.02 Released on October 31, 1996 -%% Version 2.00 Released on December 25, 1998 -%% -%% Copyright (C) 1996, 1998 by Shinsaku Fujita, all rights reserved. -%% This style file is created for drawing chemical structural formulas -%% This style file is to be contained in the ``xymtex'' directory which -%% is an input directory for TeX. -%% -%% Copying of this file is authorized only if either -%% -%% (1) you make absolutely no changes to your copy, including name and -%% directory name -%% (2) if you do make changes, -%% (a) you name it something other than the names included in the -%% ``xymtex'' directory and -%% (b) you acknowledge the original name. -%% This restriction ensures that all standard styles are identical. -%% -%% ======================================= -%% -%% This file contains several codes modified from latex.tex (LaTeX2.09) -%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -%% Copyright 1994 the LaTeX3 project and the individual authors (For further -%% copyright information see the file legal.txt of the LaTeX2e standard -%% distribution, and any other copyright indicated in this file.) -%% -%% File: aliphat.dtx -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00} -\typeout{ -- Released December 25, 1998 by Shinsaku Fujita} -\def\j@urnalname{aliphat} -\def\versi@ndate{December 25, 1998} -\def\versi@nno{ver2.00} -\def\copyrighth@lder{SF} % Shinsaku Fujita -\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>% -\space[\copyrighth@lder]} -\@ifundefined{setsixringv}{\input chemstr.sty\relax}{} -\unitlength=0.1pt -\def\Northbond{% -\yl@xdiff=40 -\yl@ydiff=-15 -\begin{picture}(100,200)(0,0) - \if\@tmpb D\relax% - \multiput(-13,52)(26,0){2}{\line(0,1){100}}% double bond up - \else\if\@tmpb T\relax% - \multiput(-20,52)(20,0){3}{\line(0,1){100}}% triple bond up - \else\if\@tmpb A%(A) alpha - {\thicklines\put(-8,52){\line(0,1){100}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(0,52){\line(0,1){100}}}% - {{\thicklines \dottedline{20}(0,52)(0,152)}}% - \else\if\@tmpb S% - \put(0,52){\line(0,1){100}}% - \else \put(0,52){\line(0,1){100}}% - \fi\fi\fi\fi\fi% - \putlratom{-40}{167}{\@memberb}%==1 upper substituent -\end{picture}}% -\def\Eastbond{% -\yl@xdiff=-10 -\yl@ydiff=33 -\begin{picture}(200,200)(0,0) - \if\@tmpb D\relax% - \multiput(50,-13)(0,26){2}{\line(1,0){140}}% double bond right - \else\if\@tmpb T\relax% - \multiput(50,-20)(0,20){3}{\line(1,0){140}}% double bond right - \else\if\@tmpb A%(A) alpha - {\thicklines\put(50,0){\line(1,0){140}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(50,0){\line(1,0){140}}}% - {{\thicklines \dottedline{20}(50,0)(203,0)}}% - \else\if\@tmpb S% - \put(50,0){\line(1,0){140}}% - \else \put(50,0){\line(1,0){140}}% - \fi\fi\fi\fi\fi% - \putratom{200}{-33}{\@memberb}%==2 right substituent -\end{picture}}% -\def\Southbond{% -\yl@xdiff=40 -\yl@ydiff=95 -\begin{picture}(100,300)(0,0) - \if\@tmpb D\relax% - \multiput(-13,-48)(26,0){2}{\line(0,-1){100}}% double bond down - \else\if\@tmpb T\relax% - \multiput(-20,-48)(20,0){3}{\line(0,-1){100}}% double bond down - \else\if\@tmpb A%(A) alpha - {\thicklines\put(-8,-48){\line(0,-1){100}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(0,-48){\line(0,-1){100}}}% - {{\thicklines \dottedline{20}(0,-48)(0,-148)}}% - \else\if\@tmpb S% - \put(0,-48){\line(0,-1){100}}% - \else \put(0,-48){\line(0,-1){100}}% - \fi\fi\fi\fi\fi% - \putlratom{-40}{-243}{\@memberb}%==3 down substituent -\end{picture}}% -\def\Westbond{% -\yl@xdiff=10 -\yl@ydiff=33 -\begin{picture}(100,300)(0,0) - \if\@tmpb D\relax% - \multiput(-190,-13)(0,26){2}{\line(1,0){140}}% double bond left - \else\if\@tmpb T\relax% - \multiput(-190,-20)(0,20){3}{\line(1,0){140}}% double bond left - \else\if\@tmpb A%(A) alpha - {\thicklines\put(-190,0){\line(1,0){140}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(-190,0){\line(1,0){140}}}% - {{\thicklines \dottedline{20}(-190,0)(-40,0)}}% - \else\if\@tmpb S% - \put(-190,0){\line(1,0){140}}% - \else \put(-190,0){\line(1,0){140}}% - \fi\fi\fi\fi\fi% - \putlatom{-200}{-33}{\@memberb}%==4 left substituent -\end{picture}}% -\def\NEBond{%degree 120 -\yl@xdiff=-9 -\yl@ydiff=13 -\begin{picture}(100,300)(0,0) - \if\@tmpb D\relax% - \put(33,48){\line(5,3){121}}% - \put(47,26){\line(5,3){121}}%northeast double bond - \else\if\@tmpb T\relax% - \put(31,52){\line(5,3){121}}% - \put(40,37){\line(5,3){121}}% - \put(49,22){\line(5,3){121}}%northeast triple bond - \else\if\@tmpb A%(A) alpha - {\thicklines\put(40,47){\line(5,3){121}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(40,47){\line(5,3){121}}}% - {{\thicklines \dottedline{20}(40,47)(161,120)}}% - \else\if\@tmpb S% - \put(40,47){\line(5,3){121}}% - \else \put(40,47){\line(5,3){121}}% - \fi\fi\fi\fi\fi% - \putratom{170}{107}{\@memberb}%==2 (northeast substituent) -\end{picture}}% -\def\NEbond{%degree 90 -\yl@xdiff=-5 -\yl@ydiff=10 -\begin{picture}(100,300)(0,0) - \if\@tmpb D\relax% - \put(31,46){\line(1,1){100}}% - \put(49,28){\line(1,1){100}}%northeast double bond - \else\if\@tmpb T\relax% - \put(27,50){\line(1,1){100}}% - \put(40,37){\line(1,1){100}}% - \put(53,24){\line(1,1){100}}%northeast triple bond - \else\if\@tmpb A%(A) alpha - {\thicklines\put(40,47){\line(1,1){100}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(40,47){\line(1,1){100}}}% - {{\thicklines \dottedline{20}(40,47)(140,147)}}% - \else\if\@tmpb S% - \put(40,47){\line(1,1){100}}% - \else \put(40,47){\line(1,1){100}}% - \fi\fi\fi\fi\fi% - \putratom{145}{137}{\@memberb}%==2 (northeast substituent) -\end{picture}}% -\def\SEBond{%degree 120 -\yl@xdiff=-9 -\yl@ydiff=67 -\begin{picture}(100,300)(0,0) - \if\@tmpb D\relax% - \put(33,-48){\line(5,-3){121}}% - \put(47,-26){\line(5,-3){121}}%southeast double bond - \else\if\@tmpb T\relax% - \put(31,-52){\line(5,-3){121}}% - \put(40,-37){\line(5,-3){121}}% - \put(49,-22){\line(5,-3){121}}%southeast triple bond - \else\if\@tmpb A%(A) alpha - {\thicklines\put(40,-47){\line(5,-3){121}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(40,-47){\line(5,-3){121}}}% - {{\thicklines \dottedline{20}(40,-47)(161,-120)}}% - \else\if\@tmpb S% - \put(40,-47){\line(5,-3){121}}% - \else \put(40,-47){\line(5,-3){121}}% - \fi\fi\fi\fi\fi% - \putratom{170}{-187}{\@memberb}%==2 (southeast substituent) -\end{picture}}% -\def\SEbond{%degree 90 -\yl@xdiff=-5 -\yl@ydiff=56 -\begin{picture}(100,300)(0,0) - \if\@tmpb D\relax% - \put(31,-46){\line(1,-1){100}}% - \put(49,-28){\line(1,-1){100}}%southeast double bond - \else\if\@tmpb T\relax% - \put(27,-50){\line(1,-1){100}}% - \put(40,-37){\line(1,-1){100}}% - \put(53,-24){\line(1,-1){100}}%southeast triple bond - \else\if\@tmpb A%(A) alpha - {\thicklines\put(53,-47){\line(1,-1){100}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(40,-47){\line(1,-1){100}}}% - {{\thicklines \dottedline{20}(40,-47)(140,-147)}}% - \else\if\@tmpb S% - \put(40,-47){\line(1,-1){100}}% - \else \put(40,-47){\line(1,-1){100}}% - \fi\fi\fi\fi\fi% - \putratom{145}{-203}{\@memberb}%==3 (southeast substituent) -\end{picture}}% -\def\NWBond{% -\begin{picture}(100,300)(0,0) -\yl@xdiff=9 -\yl@ydiff=13 - \if\@tmpb D\relax% - \put(-59,48){\line(-5,3){121}}% - \put(-73,26){\line(-5,3){121}}%northwest double bond - \else\if\@tmpb T\relax% - \put(-57,52){\line(-5,3){121}}% - \put(-66,37){\line(-5,3){121}}% - \put(-75,22){\line(-5,3){121}}%northwest triple bond - \else\if\@tmpb A%(A) alpha - {\thicklines\put(-66,47){\line(-5,3){121}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(-66,47){\line(-5,3){121}}}% - {{\thicklines \dottedline{20}(-66,47)(-187,120)}}% - \else\if\@tmpb S% - \put(-66,47){\line(-5,3){121}}% - \else \put(-66,47){\line(-5,3){121}}% - \fi\fi\fi\fi\fi% - \putlatom{-196}{107}{\@memberb}%==2 (northwest substituent) -\end{picture}}% -\def\NWbond{% -\begin{picture}(100,300)(0,0) -\yl@xdiff=13 -\yl@ydiff=10 - \if\@tmpb D\relax% - \put(-41,46){\line(-1,1){100}}% - \put(-59,28){\line(-1,1){100}}%northwest double bond - \else\if\@tmpb T\relax% - \put(-37,50){\line(-1,1){100}}% - \put(-50,37){\line(-1,1){100}}% - \put(-63,24){\line(-1,1){100}}%northwest triple bond - \else\if\@tmpb A%(A) alpha - {\thicklines\put(-50,47){\line(-1,1){100}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(-50,47){\line(-1,1){100}}}% - {{\thicklines \dottedline{20}(-50,47)(-137,147)}}% - \else\if\@tmpb S% - \put(-50,47){\line(-1,1){100}}% - \else \put(-50,47){\line(-1,1){100}}% - \fi\fi\fi\fi\fi% - \putlatom{-163}{137}{\@memberb}%==2 (northwest substituent) -\end{picture}}% -\def\SWBond{% -\yl@xdiff=9 -\yl@ydiff=67 -\begin{picture}(100,300)(0,0) - \if\@tmpb D\relax% - \put(-59,-48){\line(-5,-3){121}}% - \put(-73,-26){\line(-5,-3){121}}%southwest double bond - \else\if\@tmpb T\relax% - \put(-57,-52){\line(-5,-3){121}}% - \put(-66,-37){\line(-5,-3){121}}% - \put(-75,-22){\line(-5,-3){121}}%southwest triple bond - \else\if\@tmpb A%(A) alpha - {\thicklines\put(-66,-47){\line(-5,-3){121}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(-66,-47){\line(-5,-3){121}}}% - {{\thicklines \dottedline{20}(-66,-47)(-187,-120)}}% - \else\if\@tmpb S% - \put(-66,-47){\line(-5,-3){121}}% - \else \put(-66,-47){\line(-5,-3){121}}% - \fi\fi\fi\fi\fi% - \putlatom{-196}{-187}{\@memberb}%==2 (southwest substituent) -\end{picture}}% -\def\SWbond{% -\yl@xdiff=13 -\yl@ydiff=56 -\begin{picture}(100,300)(0,0) - \if\@tmpb D\relax% - \put(-41,-46){\line(-1,-1){100}}% - \put(-59,-28){\line(-1,-1){100}}%southwest double bond - \else\if\@tmpb T\relax% - \put(-37,-50){\line(-1,-1){100}}% - \put(-50,-37){\line(-1,-1){100}}% - \put(-63,-24){\line(-1,-1){100}}%southwest triple bond - \else\if\@tmpb A%(A) alpha - {\thicklines\put(-50,-47){\line(-1,-1){100}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(-50,-47){\line(-1,-1){100}}}% - {{\thicklines \dottedline{20}(-50,-47)(-137,-147)}}% - \else\if\@tmpb S% - \put(-50,-47){\line(-1,-1){100}}% - \else \put(-50,-47){\line(-1,-1){100}}% - \fi\fi\fi\fi\fi% - \putlatom{-163}{-203}{\@memberb}%==3 (southwest substituent) -\end{picture}}% -\def\NEBOND{%degree 120 -\yl@xdiff=-1 -\yl@ydiff=-10 -\begin{picture}(100,300)(0,0) - \if\@tmpb D\relax% - \put(48,33){\line(3,5){72}}% - \put(26,47){\line(3,5){72}}%northeast double bond - \else\if\@tmpb T\relax% - \put(52,31){\line(3,5){72}}% - \put(37,40){\line(3,5){72}}% - \put(22,49){\line(3,5){72}}%northeast triple bond - \else\if\@tmpb A%(A) alpha - {\thicklines\put(40,47){\line(3,5){72}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(47,40){\line(3,5){72}}}% - {{\thicklines \dottedline{20}(47,40)(120,161)}}% - \else\if\@tmpb S% - \put(47,40){\line(3,5){72}}% - \else \put(47,40){\line(3,5){72}}% - \fi\fi\fi\fi\fi% - \putratom{120}{170}{\@memberb}%==2 (northeast substituent) -\end{picture}}% -\def\SEBOND{%degree 120 -\yl@xdiff=-1 -\yl@ydiff=70 -\begin{picture}(100,300)(0,0) - \if\@tmpb D\relax% - \put(48,-33){\line(3,-5){72}}% - \put(26,-47){\line(3,-5){72}}%southeast double bond - \else\if\@tmpb T\relax% - \put(52,-31){\line(3,-5){72}}% - \put(37,-40){\line(3,-5){72}}% - \put(22,-49){\line(3,-5){72}}%southeast triple bond - \else\if\@tmpb A%(A) alpha - {\thicklines\put(47,-40){\line(3,-5){72}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(47,-40){\line(3,-5){72}}}% - {{\thicklines \dottedline{20}(47,-40)(120,-161)}}% - \else\if\@tmpb S% - \put(47,-40){\line(3,-5){72}}% - \else \put(47,-40){\line(3,-5){72}}% - \fi\fi\fi\fi\fi% - \putratom{120}{-230}{\@memberb}%==2 (southeast substituent) -\end{picture}}% -\def\NWBOND{% -\yl@xdiff=1 -\yl@ydiff=-10 -\begin{picture}(100,300)(0,0) - \if\@tmpb D\relax% - \put(-48,33){\line(-3,5){72}}% - \put(-26,47){\line(-3,5){72}}%northwest double bond - \else\if\@tmpb T\relax% - \put(-52,31){\line(-3,5){72}}% - \put(-37,40){\line(-3,5){72}}% - \put(-22,49){\line(-3,5){72}}%northwest triple bond - \else\if\@tmpb A%(A) alpha - {\thicklines\put(-40,47){\line(-3,5){72}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(-47,40){\line(-3,5){72}}}% - {{\thicklines \dottedline{20}(-47,40)(-120,161)}}% - \else\if\@tmpb S% - \put(-47,40){\line(-3,5){72}}% - \else \put(-47,40){\line(-3,5){72}}% - \fi\fi\fi\fi\fi% - \putlatom{-120}{170}{\@memberb}%==2 (northwest substituent) -%% \putlatom{-120}{170}{\@memberb}%==2 (northwest substituent) -\end{picture}}% -\def\SWBOND{% -\yl@xdiff=1 -\yl@ydiff=70 -\begin{picture}(100,300)(0,0) - \if\@tmpb D\relax% - \put(-48,-33){\line(-3,-5){72}}% - \put(-26,-47){\line(-3,-5){72}}%southwest double bond - \else\if\@tmpb T\relax% - \put(-52,-31){\line(-3,-5){72}}% - \put(-37,-40){\line(-3,-5){72}}% - \put(-22,-49){\line(-3,-5){72}}%southwest triple bond - \else\if\@tmpb A%(A) alpha - {\thicklines\put(-47,-40){\line(-3,-5){72}}}% single bond (alpha) - \else\if\@tmpb B%(B) beta - \@ifundefined{dottedline}{\put(-47,-40){\line(-3,-5){72}}}% - {{\thicklines \dottedline{20}(-47,-40)(-120,-161)}}% - \else\if\@tmpb S% - \put(-47,-40){\line(-3,-5){72}}% - \else \put(-47,-40){\line(-3,-5){72}}% - \fi\fi\fi\fi\fi% - \putlatom{-120}{-230}{\@memberb}%==2 (southwest substituent) -\end{picture}}% -\def\tetrahedral{\@ifnextchar[{\@tetrahedral[r}{\@tetrahedral[r]}} -\def\@tetrahedral#1]#2{% -\@reset@ylsw% -\yltetrahedralposition{#2}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(600,600)(-300,-300)% - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `tetrahedral' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 0\relax {\putratom{47}{50}{\scriptsize\@@tmpb}}\fi}% -\@forsemicol\member:=#2\do{ -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa -{\putlratom{-40}{-33}{\hbox to.72em{\hss\@memberb\hss}}}%central atom -\or\put(0,0){\Northbond}% -\or\put(0,0){\Westbond}% -\or\put(0,0){\Southbond}% -\or\put(0,0){\Eastbond}\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro tetrahedral -\def\yltetrahedralposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or \gdef\@ylii{0}\gdef\@yli{-52}\global\@ylswtrue%N subst. on 1 - \or \gdef\@ylii{52}\gdef\@yli{0}\global\@ylswtrue%W subst. on 1 - \or \gdef\@ylii{0}\gdef\@yli{52}\global\@ylswtrue%S subst. on 1 - \or \gdef\@ylii{-52}\gdef\@yli{0}\global\@ylswtrue%E subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% - -\def\divalenth#1#2{% -\@reset@ylsw% -\yldivalenthposition{#1}{#2}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(600,400)(-300,-200)% - \iforigpt \put(-300,-200){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `tetrahedral' origin: % - (\the\noshift,\the\noshift) ---> (300,200)}\fi% -\fi -{\expandafter\@m@mb@r#1;\relax - \putratom{-30}{-33}{\@memberb}}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa -\or\put(0,0){\Westbond}% -\or\put(\the\@tempcnta,0){\Eastbond}\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro tetrahedral -\def\yldivalenthposition#1#2{% -{\expandafter\@m@mb@r#1;\relax - \setbox0=\hbox{\@memberb}% - \@tempcnta=\wd0 - \@tempcntb=\unitlength - \divide\@tempcnta by\@tempcntb - \global\advance\@tempcnta by-62% - \@tempcntb=\@tempcnta \global\advance\@tempcntb by50\relax - }% -\@@ylswfalse% -\@forsemicol\member:=#2\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or \gdef\@ylii{50}\gdef\@yli{0}\global\@ylswtrue%W subst. on 1 - \or \edef\@ylii{-\the\@tempcntb}\gdef\@yli{0}\global\@ylswtrue%E subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -\def\rtrigonal{\@ifnextchar[{\@rtrigonal[r}{\@rtrigonal[r]}} -\def\@rtrigonal#1]#2{% -\@reset@ylsw% -\ylrtrigonalposition{#2}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(600,600)(-300,-300)% - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `rtrigonal' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa {\putlratom{-40}{-33}{\@memberb}}%central atom -\or\put(0,0){\Westbond}% -\or\put(0,0){\SEbond}% -\or\put(0,0){\NEbond}% -\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro rtrigonal -\def\ylrtrigonalposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or \gdef\@ylii{52}\gdef\@yli{0}\global\@ylswtrue% W subst. on 1 - \or \gdef\@ylii{-40}\gdef\@yli{47}\global\@ylswtrue% SE subst. on 1 - \or \gdef\@ylii{-40}\gdef\@yli{-47}\global\@ylswtrue% NE subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -\def\Rtrigonal{\@ifnextchar[{\@Rtrigonal[r}{\@Rtrigonal[r]}} -\def\@Rtrigonal#1]#2{% -\@reset@ylsw% -\ylRtrigonalposition{#2}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(600,600)(-300,-300)% - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `Rtrigonal' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa {\putlratom{-40}{-33}{\@memberb}}%central atom -\or\put(0,0){\Westbond}% -\or\put(0,0){\SEBOND}% -\or\put(0,0){\NEBOND}% -\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro Rtrigonal -\def\ylRtrigonalposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or \gdef\@ylii{52}\gdef\@yli{0}\global\@ylswtrue% W subst. on 1 - \or \gdef\@ylii{-47}\gdef\@yli{40}\global\@ylswtrue% SE subst. on 1 - \or \gdef\@ylii{-47}\gdef\@yli{-40}\global\@ylswtrue% NE subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -\def\ltrigonal{\@ifnextchar[{\@ltrigonal[r}{\@ltrigonal[r]}} -\def\@ltrigonal#1]#2{% -\@reset@ylsw% -\ylltrigonalposition{#2}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(600,600)(-300,-300)% - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `ltrigonal' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa -{\putlratom{-40}{-33}{\@memberb}}%central atom -\or\put(0,0){\Eastbond}% -\or\put(0,0){\NWbond}% -\or\put(0,0){\SWbond}% -\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro ltrigonal -\def\ylltrigonalposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or \gdef\@ylii{-52}\gdef\@yli{0}\global\@ylswtrue% W subst. on 1 - \or \gdef\@ylii{50}\gdef\@yli{-47}\global\@ylswtrue% NW subst. on 1 - \or \gdef\@ylii{50}\gdef\@yli{47}\global\@ylswtrue% SW subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -\def\Ltrigonal{\@ifnextchar[{\@Ltrigonal[r}{\@Ltrigonal[r]}} -\def\@Ltrigonal#1]#2{% -\@reset@ylsw% -\ylLtrigonalposition{#2}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(600,600)(-300,-300)% - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `Ltrigonal' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa -{\putlratom{-40}{-33}{\@memberb}}%central atom -\or\put(0,0){\Eastbond}% -\or\put(0,0){\NWBOND}% -\or\put(0,0){\SWBOND}% -\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro Ltrigonal -\def\ylLtrigonalposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or \gdef\@ylii{-52}\gdef\@yli{0}\global\@ylswtrue% W subst. on 1 - \or \gdef\@ylii{47}\gdef\@yli{-40}\global\@ylswtrue% NWB subst. on 1 - \or \gdef\@ylii{47}\gdef\@yli{40}\global\@ylswtrue% SWB subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -\def\utrigonal{\@ifnextchar[{\@utrigonal[r}{\@utrigonal[r]}} -\def\@utrigonal#1]#2{% -\@reset@ylsw% -\ylutrigonalposition{#2}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(600,600)(-300,-300)% - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `utrigonal' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa -{\putlratom{-40}{-33}{\@memberb}}%central atom -\or\put(0,0){\Southbond}% -\or\put(0,0){\NEbond}% -\or\put(0,0){\NWbond}% -\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro utrigonal -\def\ylutrigonalposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or \gdef\@ylii{0}\gdef\@yli{52}\global\@ylswtrue%S subst. on 1 - \or \gdef\@ylii{-40}\gdef\@yli{-47}\global\@ylswtrue% NE subst. on 1 - \or \gdef\@ylii{50}\gdef\@yli{-47}\global\@ylswtrue% NW subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -\def\Utrigonal{\@ifnextchar[{\@Utrigonal[r}{\@Utrigonal[r]}} -\def\@Utrigonal#1]#2{% -\@reset@ylsw% -\ylUtrigonalposition{#2}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(600,600)(-300,-300)% - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `Utrigonal' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa -{\putlratom{-40}{-33}{\@memberb}}%central atom -\or\put(0,0){\Southbond}% -\or\put(0,0){\NEBond}% -\or\put(0,0){\NWBond}% -\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro Utrigonal -\def\ylUtrigonalposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or \gdef\@ylii{0}\gdef\@yli{52}\global\@ylswtrue%S subst. on 1 - \or \gdef\@ylii{-40}\gdef\@yli{-47}\global\@ylswtrue% NEB subst. on 1 - \or \gdef\@ylii{66}\gdef\@yli{-47}\global\@ylswtrue% NWB subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -\def\dtrigonal{\@ifnextchar[{\@dtrigonal[r}{\@dtrigonal[r]}} -\def\@dtrigonal#1]#2{% -\@reset@ylsw% -\yldtrigonalposition{#2}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(600,600)(-300,-300) - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `dtrigonal' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 0\relax {\putratom{37}{50}{\scriptsize\@@tmpb}}\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa -{\putlratom{-40}{-33}{\@memberb}}%central atom -\or\put(0,0){\Northbond}% -\or\put(0,0){\SEbond}% -\or\put(0,0){\SWbond}% -\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro dtrigonal -\def\yldtrigonalposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or \gdef\@ylii{0}\gdef\@yli{-52}\global\@ylswtrue%N subst. on 1 - \or \gdef\@ylii{-40}\gdef\@yli{47}\global\@ylswtrue% SE subst. on 1 - \or \gdef\@ylii{50}\gdef\@yli{47}\global\@ylswtrue% SW subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -\def\Dtrigonal{\@ifnextchar[{\@Dtrigonal[r}{\@Dtrigonal[r]}} -\def\@Dtrigonal#1]#2{% -\@reset@ylsw% -\ylDtrigonalposition{#2}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(600,600)(-300,-300) - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `Dtrigonal' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 0\relax {\putratom{37}{50}{\scriptsize\@@tmpb}}\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa -{\putlratom{-40}{-33}{\@memberb}}%central atom -\or\put(0,0){\Northbond}% -\or\put(0,0){\SEBond}% -\or\put(0,0){\SWBond}% -\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro Dtrigonal -\def\ylDtrigonalposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or \gdef\@ylii{0}\gdef\@yli{-52}\global\@ylswtrue%N subst. on 1 - \or \gdef\@ylii{-40}\gdef\@yli{47}\global\@ylswtrue% SEB subst. on 1 - \or \gdef\@ylii{66}\gdef\@yli{47}\global\@ylswtrue% SWB subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -\def\ethylene{\@ifnextchar[{\@ethylene}{\@ethylene[]}} -\def\@ethylene[#1]#2#3{% -\@reset@ylsw% -\ylethylenepositiona{#3}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -\ylethylenepositionb{#3}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-230}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(800,600)(-300,-300) - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `ethylene' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -{\def\aaa{#1}\ifx\aaa\empty% - \multiput(42,-13)(0,25){2}{\line(1,0){140}}\fi% double bond -}% -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 1\relax {\putratom{-27}{60}{\scriptsize\@@tmpb}}% - \else\if\@@tmpa 2\relax {\putratom{203}{60}{\scriptsize\@@tmpb}}% - \else\if\@@tmpa d\relax% - {\multiput(42,-13)(0,25){2}{\line(1,0){140}}}% double bond - \else\if\@@tmpa t\relax% - {\multiput(42,-20)(0,20){3}{\line(1,0){140}}}% triple bond right - \fi\fi\fi\fi}% -{\def\aaa{#2}% -\ifx\aaa\empty% -\putratom{-40}{-33}{C}%central atom -\putratom{190}{-33}{C}%central atom -\else% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifcase\@tmpa% -\or\putratom{-40}{-33}{\@memberb}%central atom -\or\putratom{190}{-33}{\@memberb}%central atom -\fi\fi}%end of ifcase -\fi% -}% -\@forsemicol\member:=#3\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa% -\or\put(0,0){\NWbond}% -\or\put(0,0){\SWbond}% -\or\put(230,0){\SEbond}% -\or\put(230,0){\NEbond}% -\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro ethylene -\let\ethyleneh=\ethylene -\def\ylethylenepositiona#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or \gdef\@ylii{50}\gdef\@yli{-47}\global\@ylswtrue% NW subst. on 1 - \or \gdef\@ylii{50}\gdef\@yli{47}\global\@ylswtrue% SW subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -\def\ylethylenepositionb#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or%omit - \or%omit - \or \gdef\@ylii{-40}\gdef\@yli{47}\global\@ylswtrue% SE subst. on 1 - \or \gdef\@ylii{-40}\gdef\@yli{-47}\global\@ylswtrue% NE subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -\def\Ethylene{\@ifnextchar[{\@ethylene}{\@ethylene[]}} -\def\@ethylene[#1]#2#3{% -\@reset@ylsw% -\ylethylenepositiona{#3}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -\ylethylenepositionb{#3}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-230}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(800,600)(-300,-300) - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `ethylene' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -{\def\aaa{#1}\ifx\aaa\empty% - \multiput(42,-13)(0,25){2}{\line(1,0){140}}\fi% double bond -}% -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 1\relax {\putratom{-27}{60}{\scriptsize\@@tmpb}}% - \else\if\@@tmpa 2\relax {\putratom{203}{60}{\scriptsize\@@tmpb}}% - \else\if\@@tmpa d\relax% - {\multiput(42,-13)(0,25){2}{\line(1,0){140}}}% double bond - \else\if\@@tmpa t\relax% - {\multiput(42,-20)(0,20){3}{\line(1,0){140}}}% triple bond right - \fi\fi\fi\fi}% -{\def\aaa{#2}% -\ifx\aaa\empty% -\putratom{-40}{-33}{C}%central atom -\putratom{190}{-33}{C}%central atom -\else% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifcase\@tmpa% -\or\putratom{-40}{-33}{\@memberb}%central atom -\or\putratom{190}{-33}{\@memberb}%central atom -\fi\fi}%end of ifcase -\fi% -}% -\@forsemicol\member:=#3\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa% -\or\put(0,0){\NWBOND}% -\or\put(0,0){\SWBOND}% -\or\put(230,0){\SEBOND}% -\or\put(230,0){\NEBOND}% -\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro Ethylene -\let\Ethyleneh=\Ethylene -\def\ethylenev{\@ifnextchar[{\@ethylenev}{\@ethylenev[]}} -\def\@ethylenev[#1]#2#3{% -\@reset@ylsw% -\ylethylenevpositiona{#3}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -\ylethylenevpositionb{#3}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{-230}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(600,800)(-300,-300) - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `ethylenev' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -\def\aaa{#1}\ifx\aaa\empty% - \put(-20,47){\line(0,1){140}}% vertical - \put(6,47){\line(0,1){140}}\fi% double bond -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 1\relax \putratom{37}{0}{\scriptsize\@@tmpb} - \else\if\@@tmpa 2\relax \putratom{37}{216}{\scriptsize\@@tmpb} - \else\if\@@tmpa d\relax% - \put(-13,47){\line(0,1){140}}% vertical - \put(13,47){\line(0,1){140}}% double bond - \else\if\@@tmpa t\relax% - \put(-20,47){\line(0,1){140}}% vertical - \put(-0,47){\line(0,1){140}}% triple bond - \put(20,47){\line(0,1){140}}% - \fi\fi\fi\fi}% -\def\aaa{#2}% -\ifx\aaa\empty% -\putratom{-40}{-33}{C}%central atom -\putratom{-40}{197}{C}%central atom -\else% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifcase\@tmpa% -\or\putratom{-40}{-33}{\@memberb}%central atom -\or\putratom{-40}{197}{\@memberb}%central atom -\fi\fi}%end of ifcase -\fi% -\@forsemicol\member:=#3\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa% -\or\put(0,0){\SWbond}% -\or\put(0,0){\SEbond}% -\or\put(0,230){\NEbond}% -\or\put(0,230){\NWbond}% -\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro ethylenev -\def\ylethylenevpositiona#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or \gdef\@ylii{50}\gdef\@yli{47}\global\@ylswtrue% SW subst. on 1 - \or \gdef\@ylii{-40}\gdef\@yli{47}\global\@ylswtrue% SE subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -\def\ylethylenevpositionb#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or%omit - \or%omit - \or \gdef\@ylii{-40}\gdef\@yli{-47}\global\@ylswtrue% NE subst. on 1 - \or \gdef\@ylii{50}\gdef\@yli{-47}\global\@ylswtrue% NW subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -\def\Ethylenev{\@ifnextchar[{\@Ethylenev}{\@Ethylenev[]}} -\def\@Ethylenev[#1]#2#3{% -\@reset@ylsw% -\ylethylenevpositiona{#3}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -\ylethylenevpositionb{#3}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{-230}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(600,800)(-300,-300) - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `Ethylenev' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -\def\aaa{#1}\ifx\aaa\empty% - \put(-20,47){\line(0,1){140}}% vertical - \put(6,47){\line(0,1){140}}\fi% double bond -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 1\relax \putratom{37}{0}{\scriptsize\@@tmpb} - \else\if\@@tmpa 2\relax \putratom{37}{216}{\scriptsize\@@tmpb} - \else\if\@@tmpa d\relax% - \put(-13,47){\line(0,1){140}}% vertical - \put(13,47){\line(0,1){140}}% double bond - \else\if\@@tmpa t\relax% - \put(-20,47){\line(0,1){140}}% vertical - \put(-0,47){\line(0,1){140}}% triple bond - \put(20,47){\line(0,1){140}}% - \fi\fi\fi\fi}% -\def\aaa{#2}% -\ifx\aaa\empty% -\putratom{-40}{-33}{C}%central atom -\putratom{-40}{197}{C}%central atom -\else% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifcase\@tmpa% -\or\putratom{-40}{-33}{\@memberb}%central atom -\or\putratom{-40}{197}{\@memberb}%central atom -\fi\fi}%end of ifcase -\fi% -\@forsemicol\member:=#3\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa% -\or\put(0,0){\SWBond}% -\or\put(0,0){\SEBond}% -\or\put(0,230){\NEBond}% -\or\put(0,230){\NWBond}% -\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro Ethylenev -\def\square{\@ifnextchar[{\@square[r}{\@square[r]}} -\def\@square#1]#2{% -\@reset@ylsw% -\ylsquareposition{#2}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(600,600)(-300,-300) - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `square' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\fi -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 0\relax {\putratom{37}{0}{\scriptsize\@@tmpb}}\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa {\putlratom{-40}{-33}{\@memberb}}%central atom -\or\put(0,0){\NEbond}% -\or\put(0,0){\SEbond}% -\or\put(0,0){\SWbond}% -\or\put(0,0){\NWbond}% -\fi%end of ifcase -\fi\fi}% -\end{picture}}%end of macro square -\def\ylsquareposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa - \or \gdef\@ylii{-40}\gdef\@yli{-47}\global\@ylswtrue% NE subst. on 1 - \or \gdef\@ylii{-40}\gdef\@yli{47}\global\@ylswtrue% SE subst. on 1 - \or \gdef\@ylii{50}\gdef\@yli{47}\global\@ylswtrue% SW subst. on 1 - \or \gdef\@ylii{50}\gdef\@yli{-47}\global\@ylswtrue% NW subst. on 1 -\fi%end of ifcase -\fi\fi\fi}}% -\def\tetrastereo{\@ifnextchar[{\@tetrastereo[r}{\@tetrastereo[r]}} -\def\@tetrastereo#1]#2{% -\begin{picture}(600,600)(-300,-300) - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `tetrastero' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\put(0,0){\circle{200}}% -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 0\relax \putratom{87}{90}{\scriptsize\@@tmpb}\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifcase\@tmpa \putlratom{-40}{-33}{\@memberb}%central atom -\or% - \put(0,100){\line(0,1){70}}% behind - \putlratom{-30}{180}{\@memberb}% and up -\or% - {\thicklines% - \put(-60,10){\line(-5,2){140}}% in front - \putlatom{-205}{30}{\@memberb}}% and left -\or% - \put(0,-100){\line(0,-1){90}}% behind and - \putlratom{-30}{-260}{\@memberb}% down -\or% - {\thicklines% - \put(60,10){\line(5,2){140}}% in front - \putratom{210}{30}{\@memberb}}% and right -\fi\fi}%end of ifcase -\end{picture}}%end of macro tetrastereo -\def\dtetrastereo{\@ifnextchar[{\@dtetrastereo[r}{\@dtetrastereo[r]}} -\def\@dtetrastereo#1]#2{% -\begin{picture}(600,600)(-300,-300) - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `dtetrastero' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\put(0,0){\circle{200}}% -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 0\relax \putratom{87}{90}{\scriptsize\@@tmpb}\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifcase\@tmpa \putlratom{-40}{-33}{\@memberb}%central atom -\or% - \put(0,100){\line(0,1){70}}% behind - \putlratom{-30}{180}{\@memberb}% and up -\or% - \put(-94,-10){\line(-5,-2){108}}% in back - \putlatom{-205}{-110}{\@memberb}% and left -\or% - {\thicklines% - \put(0,-50){\line(0,-1){150}}% behind and - \putlratom{-30}{-260}{\@memberb}}% down -\or% - \put(94,-10){\line(5,-2){108}}% in back - \putratom{210}{-110}{\@memberb}% and right -\fi\fi}%end of ifcase -\end{picture}}%end of macro dtetrastereo -\def\ethanestereo{\@ifnextchar[{\@ethanestereo}{\@ethanestereo[]}} -\def\@ethanestereo[#1]#2#3{% -\begin{picture}(600,800)(-300,-300) - \iforigpt \put(-300,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `ethanestereo' origin: % - (\the\noshift,\the\noshift) ---> (300,300)}\fi% -\put(0,0){\circle{200}}% -\put(0,270){\circle{200}}% -\put(0,100){\line(0,1){70}}% central bond -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \if\@@tmpa 1\relax \putratom{87}{90}{\scriptsize\@@tmpb} - \else\if\@@tmpa 2\relax \putratom{87}{360}{\scriptsize\@@tmpb} - \fi\fi}% -\def\aaa{#2}% -\ifx\aaa\empty\else% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifcase\@tmpa% -\or\putratom{-40}{-33}{\@memberb}%central atom -\or\putratom{-40}{237}{\@memberb}%central atom -\fi\fi}%end of ifcase -\fi% -\@forsemicol\member:=#3\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifcase\@tmpa \putlratom{-40}{-33}{\@memberb}%central atom -\or% - \put(-94,-10){\line(-5,-2){108}}% in back - \putlatom{-205}{-110}{\@memberb}% and left -\or% - {\thicklines% - \put(0,-50){\line(0,-1){150}}% behind and - \putlratom{-30}{-260}{\@memberb}}% down -\or% - \put(94,-10){\line(5,-2){108}}% in back - \putratom{210}{-110}{\@memberb}% and right -\or% - {\thicklines% - \put(60,280){\line(5,2){140}}% in front - \putratom{210}{300}{\@memberb}}% and right -\or% - \put(0,370){\line(0,1){70}}% behind - \putlratom{-30}{450}{\@memberb}% and up -\or% - {\thicklines% - \put(-60,280){\line(-5,2){140}}% in front - \putlatom{-205}{300}{\@memberb}}% and left -\fi\fi}%end of ifcase -\end{picture}}%end of macro ethanestereo -\endinput -%% -%% End of file `aliphat.sty'. diff --git a/Master/texmf-dist/tex/latex/xymtex/carom.sty b/Master/texmf-dist/tex/latex/xymtex/carom.sty deleted file mode 100644 index 88621f99597..00000000000 --- a/Master/texmf-dist/tex/latex/xymtex/carom.sty +++ /dev/null @@ -1,1369 +0,0 @@ -%% -%% This is file `carom.sty', -%% generated with the docstrip utility. -%% -%% The original source files were: -%% -%% carom.dtx (with options: `carom') -%% -%% This is a generated file. -%% -%% Copyright 1996, 1988, 2000 by Shinsaku Fujita -%% -%% This file is part of the XyMTeX system. -%% ======================================= -%% -%% Version 1.01 Released on August 16, 1996 -%% Version 1.02 Released on October 31, 1998 -%% Version 2.00 Released on December 25, 1998 -%% Version 2.00a Released on June 14, 2000 -%% -%% Copyright (C) 1996,1998,2000 by Shinsaku Fujita, all rights reserved. -%% This style file is created for drawing chemical structural formulas -%% This style file is to be contained in the ``xymtex'' directory which -%% is an input directory for TeX. -%% -%% Copying of this file is authorized only if either -%% -%% (1) you make absolutely no changes to your copy, including name and -%% directory name -%% (2) if you do make changes, -%% (a) you name it something other than the names included in the -%% ``xymtex'' directory and -%% (b) you acknowledge the original name. -%% This restriction ensures that all standard styles are identical. -%% -%% ======================================= -%% -%% This file contains several codes modified from latex.tex (LaTeX2.09) -%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -%% Copyright 1994 the LaTeX3 project and the individual authors (For further -%% copyright information see the file legal.txt of the LaTeX2e standard -%% distribution, and any other copyright indicated in this file.) -%% -%% File: carom.dtx -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00} -\typeout{ -- Released December 25, 1998 by Shinsaku Fujita} -\def\j@urnalname{carom} -\def\versi@ndate{June 14, 2000} -\def\versi@nno{ver2.00a} -\def\copyrighth@lder{SF} % Shinsaku Fujita -\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>% -\space[\copyrighth@lder]} -\@ifundefined{setsixringv}{\input chemstr.sty\relax}{} -\@ifundefined{decaheterov}{\input hetarom.sty\relax}{} -\@ifundefined{decaheteroh}{\input hetaromh.sty\relax}{} -\unitlength=0.1pt -\def\cyclohexanev{\@ifnextchar[{\@cyclohexanev[@}{\@cyclohexanev[@]}} -\def\@cyclohexanev[#1]#2{\sixheterov[#1]{}{#2}} -\def\cyclohexaneh{\@ifnextchar[{\@cyclohexaneh[@}{\@cyclohexaneh[@]}} -\def\@cyclohexaneh[#1]#2{\sixheteroh[#1]{}{#2}} -\def\bzdrv{\@ifnextchar[{\@bzdrv}{\@bzdrv[r]}} -\def\@bzdrv[#1]#2{% -\iforigpt \typeout{command `bzdrv' is based on `cyclohexanev'.}\fi% -\expandafter\twoCH@R#1//% -\if\@tmpa r% right-handed set of double bonds - \ifx\@tmpb\empty - \cyclohexanev[bdf]{#2}% - \fi -\else\if\@tmpa l%left-handed set of double bonds - \ifx\@tmpb\empty - \cyclohexanev[ace]{#2}% - \fi -\else\if\@tmpa c%aromatic circle - \ifx\@tmpb\empty - \cyclohexanev[A]{#2}% - \fi -\else\if\@tmpa p%p-quinone - \if\@tmpb a% (A) - \cyclohexanev[be]{#2}% - \else\ifx\@tmpb\empty% (A) - \cyclohexanev[be]{#2}% - \else\if\@tmpb b% (B) - \cyclohexanev[cf]{#2}% - \else\if\@tmpb c% (C) - \cyclohexanev[ad]{#2}% - \fi\fi\fi\fi% -\else\if\@tmpa o%o-quinone - \if\@tmpb a% (A)% - \cyclohexanev[ce]{#2}% - \else\ifx\@tmpb\empty% (A) - \cyclohexanev[ce]{#2}% - \else\if\@tmpb b%o-quinone (B) - \cyclohexanev[df]{#2}% - \else\if\@tmpb c%o-quinone (C) - \cyclohexanev[ae]{#2}% - \else\if\@tmpb d%o-quinone (D) - \cyclohexanev[bf]{#2}% - \else\if\@tmpb e%o-quinone (E) - \cyclohexanev[ac]{#2}% - \else\if\@tmpb f%o-quinone (F) - \cyclohexanev[bd]{#2}% - \fi\fi\fi\fi\fi\fi\fi% -\else% added 1998/11/15 by S. Fujita - \cyclohexanev[@#1]{#2}% -\fi\fi\fi\fi\fi% -}% %end of \bzdrv macro -\def\bzdrh{\@ifnextchar[{\@bzdrh}{\@bzdrh[r]}} -\def\@bzdrh[#1]#2{% -\iforigpt \typeout{command `bzdrh' is based on `cyclohexaneh'.}\fi% -\expandafter\twoCH@R#1//% -\if\@tmpa r% right-handed set of double bonds - \cyclohexaneh[bdf]{#2}% -\else\if\@tmpa l%left-handed set of double bonds - \cyclohexaneh[ace]{#2}% -\else\if\@tmpa c%aromatic circle - \cyclohexaneh[A]{#2}% -\else\if\@tmpa p%p-quinone - \if\@tmpb a% (A) - \cyclohexaneh[be]{#2}% - \else\ifx\@tmpb\empty% (A) - \cyclohexaneh[be]{#2}% - \else\if\@tmpb b% (B) - \cyclohexaneh[cf]{#2}% - \else\if\@tmpb c% (C) - \cyclohexaneh[ad]{#2}% - \fi\fi\fi\fi% -\else\if\@tmpa o%o-quinone - \if\@tmpb a% (A)% - \cyclohexaneh[ce]{#2}% - \else\ifx\@tmpb\empty% (A) - \cyclohexaneh[ce]{#2}% - \else\if\@tmpb b%o-quinone (B) - \cyclohexaneh[df]{#2}% - \else\if\@tmpb c%o-quinone (C) - \cyclohexaneh[ae]{#2}% - \else\if\@tmpb d%o-quinone (D) - \cyclohexaneh[bf]{#2}% - \else\if\@tmpb e%o-quinone (E) - \cyclohexaneh[ac]{#2}% - \else\if\@tmpb f%o-quinone (F) - \cyclohexaneh[bd]{#2}% - \fi\fi\fi\fi\fi\fi\fi% -\else% added 1998/11/15 by S. Fujita - \cyclohexaneh[@#1]{#2}% -\fi\fi\fi\fi\fi% -}% %end of \bzdrh macro -\def\decalinev{\@ifnextchar[{\@decalinev[@}{\@decalinev[@]}} -\def\@decalinev[#1]#2{% -\iforigpt \typeout{command `decalinev' is based on `decaheterov'.}\fi% -\decaheterov[#1]{}{#2}} -\def\decalinevb{\@ifnextchar[{\@decalinevb[@}{\@decalinevb[@]}} -\def\@decalinevb[#1]#2{% -\iforigpt \typeout{command `decalinevb' is based on `decaheterovb'.}\fi% -\decaheterovb[#1]{}{#2}} -\def\decalinevt{\@ifnextchar[{\@decalinevt[@}{\@decalinevt[@]}} -\def\@decalinevt[#1]#2{% -\iforigpt \typeout{command `decalinevt' is based on `decaheterovt'.}\fi% -\decaheterovt[#1]{}{#2}} -\def\decalineh{\@ifnextchar[{\@decalineh[@}{\@decalineh[@]}} -\def\@decalineh[#1]#2{% -\iforigpt \typeout{command `decalineh' is based on `decaheteroh'.}\fi% -\decaheteroh[#1]{}{#2}} -\def\naphdrv{\@ifnextchar[{\@naphdrv}{\@naphdrv[r]}} -\def\@naphdrv[#1]#2{% -\iforigpt \typeout{command `naphdrv' is based on `decalinev'.}\fi% - \expandafter\threech@r#1{}{}% -\if\@tmpa r% right-handed set of double bonds - \decalinev[acfhk]{#2}% -\else\if\@tmpa A%aromatic circle - \decalinev[AB]{#2}% -\else\if\@tmpa p%p-quinone - \if\@tmpb a% (A) - \decalinev[bfhk]{#2}% - \else\ifx\@tmpb\empty% (A) - \decalinev[bfhk]{#2}% - \else\if\@tmpb b% (B) - \decalinev[acgk]{#2}% - \fi\fi\fi% -\else% - \if\@tmpa o%o-quinone - \if\@tmpb a% (A) - \decalinev[cfhk]{#2}% - \else\ifx\@tmpb\empty% (A) - \decalinev[cfhk]{#2}% - \else\if\@tmpb b%o-quinone (B) - \decalinev[dfhj]{#2}% - \else\if\@tmpb c%o-quinone (C) - \decalinev[afhk]{#2}% - \else\if\@tmpb d%o-quinone (D) - \decalinev[achk]{#2}% - \else\if\@tmpb e%o-quinone (E) - \decalinev[acei]{#2}% - \else\if\@tmpb f%o-quinone (F) - \decalinev[acfk]{#2}% - \fi\fi\fi\fi\fi\fi% - \fi% -%%% -\else\if\@tmpa q%various quinone - \if\@tmpb a% (A)2,6-type - \decalinev[cehj]{#2}% - \else\ifx\@tmpb\empty% (A)2,6-type - \decalinev[cehj]{#2}% - \else\if\@tmpb b%2,6-quinone (B) - \decalinev[adfi]{#2}% - \else\if\@tmpb c%1,5-quinone (C) - \decalinev[bdgi]{#2}% - \else\if\@tmpb d%1,5-quinone (D) - \decalinev[begj]{#2}% - \else\if\@tmpb e%1,7-quinone (E) - \decalinev[bdfi]{#2}% - \else\if\@tmpb f%1,7-quinone (F) - \decalinev[cegj]{#2}% - \else\if\@tmpb g%1,7-quinone (G) - \decalinev[behj]{#2}% - \else\if\@tmpb h%1,7-quinone (H) - \decalinev[adgi]{#2}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi% -\else\if\@tmpa P%quinone having 4 carbonyl groups - \if\@tmpb a% (A)1,4,5,8-type - \decalinev[bgk]{#2}% - \else\ifx\@tmpb\empty% (A)1,4,5,8-type - \decalinev[bgk]{#2}% - \else\if\@tmpb b% (B)1,2,5,8-type - \decalinev[cgk]{#2}% - \fi\fi\fi% -\else\if\@tmpa Q%1,2,3,4 - \decalinev[fhk]{#2}% -\else\if\@tmpa O%quinone having 4 carbonyl groups - \if\@tmpb a% (A)1,2,5,6-type - \decalinev[chk]{#2}% - \else\ifx\@tmpb\empty% (A)1,2,5,6-type - \decalinev[chk]{#2}% - \else\if\@tmpb b% (B)1,2,7,8-type - \decalinev[cfk]{#2}% - \else\if\@tmpb c% (C)1,2,3,5-type - \decalinev[dgi]{#2}% - \else\if\@tmpb d% (D)1,2,3,7-type - \decalinev[dfi]{#2}% - \fi\fi\fi\fi\fi% -\else% added 1998/11/23 by S. Fujita - \decalinev[@#1]{#2}% -\fi\fi\fi\fi\fi\fi\fi\fi% -}% %end of \naphdrv macro -\def\naphdrvb{\@ifnextchar[{\@naphdrvb}{\@naphdrvb[r]}} -\def\@naphdrvb[#1]#2{% -\iforigpt \typeout{command `naphdrvb' is based on `decalinevb'.}\fi% - \expandafter\threech@r#1{}{}% -\if\@tmpa r% right-handed set of double bonds - \decalinevb[acfhk]{#2}% -\else\if\@tmpa A%aromatic circle - \decalinevb[AB]{#2}% -\else\if\@tmpa p%p-quinone - \if\@tmpb a% (A) - \decalinevb[bfhk]{#2}% - \else\ifx\@tmpb\empty% (A) - \decalinevb[bfhk]{#2}% - \else\if\@tmpb b% (B) - \decalinevb[acgk]{#2}% - \fi\fi\fi% -\else% - \if\@tmpa o%o-quinone - \if\@tmpb a% (A) - \decalinevb[cfhk]{#2}% - \else\ifx\@tmpb\empty% (A) - \decalinevb[cfhk]{#2}% - \else\if\@tmpb b%o-quinone (B) - \decalinevb[dfhj]{#2}% - \else\if\@tmpb c%o-quinone (C) - \decalinevb[afhk]{#2}% - \else\if\@tmpb d%o-quinone (D) - \decalinevb[achk]{#2}% - \else\if\@tmpb e%o-quinone (E) - \decalinevb[acei]{#2}% - \else\if\@tmpb f%o-quinone (F) - \decalinevb[acfk]{#2}% - \fi\fi\fi\fi\fi\fi% - \fi% -%%% -\else\if\@tmpa q%various quinone - \if\@tmpb a% (A)2,6-type - \decalinevb[cehj]{#2}% - \else\ifx\@tmpb\empty% (A)2,6-type - \decalinevb[cehj]{#2}% - \else\if\@tmpb b%2,6-quinone (B) - \decalinevb[adfi]{#2}% - \else\if\@tmpb c%1,5-quinone (C) - \decalinevb[bdgi]{#2}% - \else\if\@tmpb d%1,5-quinone (D) - \decalinevb[begj]{#2}% - \else\if\@tmpb e%1,7-quinone (E) - \decalinevb[bdfi]{#2}% - \else\if\@tmpb f%1,7-quinone (F) - \decalinevb[cegj]{#2}% - \else\if\@tmpb g%1,7-quinone (G) - \decalinevb[behj]{#2}% - \else\if\@tmpb h%1,7-quinone (H) - \decalinevb[adgi]{#2}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi% -\else\if\@tmpa P%quinone having 4 carbonyl groups - \if\@tmpb a% (A)1,4,5,8-type - \decalinevb[bgk]{#2}% - \else\ifx\@tmpb\empty% (A)1,4,5,8-type - \decalinevb[bgk]{#2}% - \else\if\@tmpb b% (B)1,2,5,8-type - \decalinevb[cgk]{#2}% - \fi\fi\fi% -\else\if\@tmpa Q%1,2,3,4 - \decalinevb[fhk]{#2}% -\else\if\@tmpa O%quinone having 4 carbonyl groups - \if\@tmpb a% (A)1,2,5,6-type - \decalinevb[chk]{#2}% - \else\ifx\@tmpb\empty% (A)1,2,5,6-type - \decalinevb[chk]{#2}% - \else\if\@tmpb b% (B)1,2,7,8-type - \decalinevb[cfk]{#2}% - \else\if\@tmpb c% (C)1,2,3,5-type - \decalinevb[dgi]{#2}% - \else\if\@tmpb d% (D)1,2,3,7-type - \decalinevb[dfi]{#2}% - \fi\fi\fi\fi\fi% -\else% added 1998/11/23 by S. Fujita - \decalinevb[@#1]{#2}% -\fi\fi\fi\fi\fi\fi\fi\fi% -}% %end of \naphdrvb macro -\def\naphdrvt{\@ifnextchar[{\@naphdrvt}{\@naphdrvt[r]}} -\def\@naphdrvt[#1]#2{% -\iforigpt \typeout{command `naphdrvt' is based on `decalinevt'.}\fi% - \expandafter\threech@r#1{}{}% -\if\@tmpa r% right-handed set of double bonds - \decalinevt[acfhk]{#2}% -\else\if\@tmpa A%aromatic circle - \decalinevt[AB]{#2}% -\else\if\@tmpa p%p-quinone - \if\@tmpb a% (A) - \decalinevt[bfhk]{#2}% - \else\ifx\@tmpb\empty% (A) - \decalinevt[bfhk]{#2}% - \else\if\@tmpb b% (B) - \decalinevt[acgk]{#2}% - \fi\fi\fi% -\else% - \if\@tmpa o%o-quinone - \if\@tmpb a% (A) - \decalinevt[cfhk]{#2}% - \else\ifx\@tmpb\empty% (A) - \decalinevt[cfhk]{#2}% - \else\if\@tmpb b%o-quinone (B) - \decalinevt[dfhj]{#2}% - \else\if\@tmpb c%o-quinone (C) - \decalinevt[afhk]{#2}% - \else\if\@tmpb d%o-quinone (D) - \decalinevt[achk]{#2}% - \else\if\@tmpb e%o-quinone (E) - \decalinevt[acei]{#2}% - \else\if\@tmpb f%o-quinone (F) - \decalinevt[acfk]{#2}% - \fi\fi\fi\fi\fi\fi% - \fi% -%%% -\else\if\@tmpa q%various quinone - \if\@tmpb a% (A)2,6-type - \decalinevt[cehj]{#2}% - \else\ifx\@tmpb\empty% (A)2,6-type - \decalinevt[cehj]{#2}% - \else\if\@tmpb b%2,6-quinone (B) - \decalinevt[adfi]{#2}% - \else\if\@tmpb c%1,5-quinone (C) - \decalinevt[bdgi]{#2}% - \else\if\@tmpb d%1,5-quinone (D) - \decalinevt[begj]{#2}% - \else\if\@tmpb e%1,7-quinone (E) - \decalinevt[bdfi]{#2}% - \else\if\@tmpb f%1,7-quinone (F) - \decalinevt[cegj]{#2}% - \else\if\@tmpb g%1,7-quinone (G) - \decalinevt[behj]{#2}% - \else\if\@tmpb h%1,7-quinone (H) - \decalinevt[adgi]{#2}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi% -\else\if\@tmpa P%quinone having 4 carbonyl groups - \if\@tmpb a% (A)1,4,5,8-type - \decalinevt[bgk]{#2}% - \else\ifx\@tmpb\empty% (A)1,4,5,8-type - \decalinevt[bgk]{#2}% - \else\if\@tmpb b% (B)1,2,5,8-type - \decalinevt[cgk]{#2}% - \fi\fi\fi% -\else\if\@tmpa Q%1,2,3,4 - \decalinevt[fhk]{#2}% -\else\if\@tmpa O%quinone having 4 carbonyl groups - \if\@tmpb a% (A)1,2,5,6-type - \decalinevt[chk]{#2}% - \else\ifx\@tmpb\empty% (A)1,2,5,6-type - \decalinevt[chk]{#2}% - \else\if\@tmpb b% (B)1,2,7,8-type - \decalinevt[cfk]{#2}% - \else\if\@tmpb c% (C)1,2,3,5-type - \decalinevt[dgi]{#2}% - \else\if\@tmpb d% (D)1,2,3,7-type - \decalinevt[dfi]{#2}% - \fi\fi\fi\fi\fi% -\else% added 1998/11/23 by S. Fujita - \decalinevt[@#1]{#2}% -\fi\fi\fi\fi\fi\fi\fi\fi% -}% %end of \naphdrvt macro -\def\naphdrh{\@ifnextchar[{\@naphdrh}{\@naphdrh[r]}} -\def\@naphdrh[#1]#2{% -\iforigpt \typeout{command `nathdrh' is based on `decalineh'.}\fi% - \expandafter\threech@r#1{}{}% -\if\@tmpa r% right-handed set of double bonds - \decalineh[acfhk]{#2}% -\else\if\@tmpa A%aromatic circle - \decalineh[AB]{#2}% -\else\if\@tmpa p%p-quinone - \if\@tmpb a% (A) - \decalineh[bfhk]{#2}% - \else\ifx\@tmpb\empty% (A) - \decalineh[bfhk]{#2}% - \else\if\@tmpb b% (B) - \decalineh[acgk]{#2}% - \fi\fi\fi% -\else% - \if\@tmpa o%o-quinone - \if\@tmpb a% (A) - \decalineh[cfhk]{#2}% - \else\ifx\@tmpb\empty% (A) - \decalineh[cfhk]{#2}% - \else\if\@tmpb b%o-quinone (B) - \decalineh[dfhj]{#2}% - \else\if\@tmpb c%o-quinone (C) - \decalineh[afhk]{#2}% - \else\if\@tmpb d%o-quinone (D) - \decalineh[achk]{#2}% - \else\if\@tmpb e%o-quinone (E) - \decalineh[acei]{#2}% - \else\if\@tmpb f%o-quinone (F) - \decalineh[acfk]{#2}% - \fi\fi\fi\fi\fi\fi% - \fi% -\else\if\@tmpa q%various quinone - \if\@tmpb a% (A)2,6-type - \decalineh[cehj]{#2}% - \else\ifx\@tmpb\empty% (A)2,6-type - \decalineh[cehj]{#2}% - \else\if\@tmpb b%2,6-quinone (B) - \decalineh[adfi]{#2}% - \else\if\@tmpb c%1,5-quinone (C) - \decalineh[bdgi]{#2}% - \else\if\@tmpb d%1,5-quinone (D) - \decalineh[begj]{#2}% - \else\if\@tmpb e%1,7-quinone (E) - \decalineh[bdfi]{#2}% - \else\if\@tmpb f%1,7-quinone (F) - \decalineh[cegj]{#2}% - \else\if\@tmpb g%1,7-quinone (G) - \decalineh[behj]{#2}% - \else\if\@tmpb h%1,7-quinone (H) - \decalineh[adgi]{#2}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi% -\else\if\@tmpa P%quinone having 4 carbonyl groups - \if\@tmpb a% (A)1,4,5,8-type - \decalineh[bgk]{#2}% - \else\ifx\@tmpb\empty% (A)1,4,5,8-type - \decalineh[bgk]{#2}% - \else\if\@tmpb b% (B)1,2,5,8-type - \decalineh[cgk]{#2}% - \fi\fi\fi% -\else\if\@tmpa Q%1,2,3,4 - \decalineh[fhk]{#2}% -\else\if\@tmpa O%quinone having 4 carbonyl groups - \if\@tmpb a% (A)1,2,5,6-type - \decalineh[chk]{#2}% - \else\ifx\@tmpb\empty% (A)1,2,5,6-type - \decalineh[chk]{#2}% - \else\if\@tmpb b% (B)1,2,7,8-type - \decalineh[cfk]{#2}% - \else\if\@tmpb c% (C)1,2,3,5-type - \decalineh[dgi]{#2}% - \else\if\@tmpb d% (D)1,2,3,7-type - \decalineh[dfi]{#2}% - \fi\fi\fi\fi\fi% -\else% added 1998/11/23 by S. Fujita - \decalineh[@#1]{#2}% -\fi\fi\fi\fi\fi\fi\fi\fi% -}% %end of \naphdrh macro -\def\tetralinev{\@ifnextchar[{\@tetralinev}{\@tetralinev[r]}} -\def\@tetralinev[#1]#2{% - \iforigpt \typeout{command `tetralinev' is based on `decalinev'.}\fi% - \expandafter\threech@r#1{}{}% - \if\@tmpa r% right-handed set of double bonds - \decalinev[fhk]{#2}% - \else\if\@tmpa A%aromatic circle - \decalinev[A]{#2}% - \else\if\@tmpa e%inner double bond - \if\@tmpb a% (A)% - \decalinev[afhk]{#2}% - \else\ifx\@tmpb\empty% (A) - \decalinev[afhk]{#2}% - \else\if\@tmpb b% (B) - \decalinev[bfhk]{#2}% - \else\if\@tmpb c% (C) - \decalinev[cfhk]{#2}% - \fi\fi\fi\fi% - \else%1998/11/23 by Shinsaku Fujita - \decalinev[@#1]{#2}% - \fi\fi\fi% -}% %end of \tetralinev macro -\def\tetralinevb{\@ifnextchar[{\@tetralinevb}{\@tetralinevb[r]}} -\def\@tetralinevb[#1]#2{% - \iforigpt \typeout{command `tetralinevb' is based on `decalinevb'.}\fi% - \expandafter\threech@r#1{}{}% - \if\@tmpa r% right-handed set of double bonds - \decalinevb[fhK]{#2}% %[fhK] in place of [fhk] - \else\if\@tmpa A%aromatic circle - \decalinevb[A]{#2}% - \else\if\@tmpa e%inner double bond - \if\@tmpb a% (A)% - \decalinevb[afhK]{#2}% - \else\ifx\@tmpb\empty% (A) - \decalinevb[afhK]{#2}% - \else\if\@tmpb b% (B) - \decalinevb[bfhK]{#2}% - \else\if\@tmpb c% (C) - \decalinevb[cfhK]{#2}% - \fi\fi\fi\fi% - \else%1998/11/23 by Shinsaku Fujita - \decalinevb[@#1]{#2}% - \fi\fi\fi% -}% %end of \tetralinevb macro -\def\tetralinevt{\@ifnextchar[{\@tetralinevt}{\@tetralinevt[r]}} -\def\@tetralinevt[#1]#2{% - \iforigpt \typeout{command `tetralinevt' is based on `decalinevt'.}\fi% - \expandafter\threech@r#1{}{}% - \if\@tmpa r% right-handed set of double bonds - \decalinevt[fhk]{#2}% - \else\if\@tmpa A%aromatic circle - \decalinevt[A]{#2}% - \else\if\@tmpa e%inner double bond - \if\@tmpb a% (A)% - \decalinevt[afhk]{#2}% - \else\ifx\@tmpb\empty% (A) - \decalinevt[afhk]{#2}% - \else\if\@tmpb b% (B) - \decalinevt[bfhk]{#2}% - \else\if\@tmpb c% (C) - \decalinevt[cfhk]{#2}% - \fi\fi\fi\fi% - \else%1998/11/23 by Shinsaku Fujita - \decalinevt[@#1]{#2}% - \fi\fi\fi% -}% %end of \tetralinevt macro -\def\tetralineh{\@ifnextchar[{\@tetralineh}{\@tetralineh[r]}} -\def\@tetralineh[#1]#2{% - \iforigpt \typeout{command `tetralineh' is based on `decalineh'.}\fi% - \expandafter\threech@r#1{}{}% - \if\@tmpa r% right-handed set of double bonds - \decalineh[fhk]{#2}% - \else\if\@tmpa A%aromatic circle - \decalineh[A]{#2}% - \else\if\@tmpa e%inner double bond - \if\@tmpb a% (A)% - \decalineh[afhk]{#2}% - \else\ifx\@tmpb\empty% (A) - \decalineh[afhk]{#2}% - \else\if\@tmpb b% (B) - \decalineh[bfhk]{#2}% - \else\if\@tmpb c% (C) - \decalineh[cfhk]{#2}% - \fi\fi\fi\fi% -\else% added 1998/11/23 by S. Fujita - \decalineh[@#1]{#2}% - \fi\fi\fi% -}% %end of \tetralineh macro -\def\hanthracenev{\@ifnextchar[{\@hanthracenev[@}{\@hanthracenev[r]}} -\def\@hanthracenev[#1]#2{% -\@reset@ylsw\reset@@yl -\ylposition{#2}{-7}{0}{2}{0}% %for 8 positions -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else\ylposition{#2}{-1}{3}{7}{0}% for 5 to 7 positions -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi\else -\ylposition{#2}{0}{0}{5}{0}% for 1 to 4 positions -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-684}\def\@@yli{0}\fi\else -\ylposition{#2}{-8}{0}{2}{0}%for 9-position -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi\else -\ylposition{#2}{-6}{3}{5}{0}%for 10-position -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi\else -\ylfusedposition{#2}{-11}{-1}{1}{0}% for 9a and 4a -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi\else -\ylfusedposition{#2}{-12}{-1}{1}{0}% for 8a and 10a -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi\fi -\if@ylsw - \yl@shiftii=\@ylii - \ifx\@@ylii\empty\else - \advance\yl@shiftii\@@ylii\fi - \yl@shifti=\@yli - \ifx\@@yli\empty\else - \advance\yl@shifti\@@yli\fi - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(1200,880)(-\shiftii,-\shifti) - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `hanthracenev' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi - \put(0,406){\line(-5,-3){171}}% %bond 8-7 - \put(0,406){\line(5,-3){171}}% %bond 8-8a - \put(0,0){\line(-5,3){171}}% %bond 5-6 - \put(0,0){\line(5,3){171}}% %bond 5-10a - \put(171,103){\line(0,1){200}}% %bond 10a-8a - \put(-171,103){\line(0,1){200}}% %bond 6-7 - \put(342,406){\line(-5,-3){171}}% %bond 9-8a - \put(342,406){\line(5,-3){171}}% %bond 9-9a - \put(342,0){\line(-5,3){171}}% %bond 10-10a - \put(342,0){\line(5,3){171}}% %bond 10-4a - \put(513,103){\line(0,1){200}}% %bond 4a-9a - %%%% - \put(684,406){\line(-5,-3){171}}% %bond 1-9a 1-6 - \put(684,406){\line(5,-3){171}}% %bond 1-2 1-2 - \put(855,103){\line(0,1){200}}% %bond 3-2 3-2 - \put(684,0){\line(5,3){171}}% %bond 4-3 4-3 - \put(684,0){\line(-5,3){171}}% %bond 4-4a 4-5 -\@tfor\member:=#1\do{% -\if\member r%no endcyclic double bonds -\else\if\member a% - \put(690,364){\line(5,-3){126}}% %double bond 1-2 -\else\if\member b% - \put(822,129){\line(0,1){148}}% %double bond 3-2 -\else\if\member c% - \put(690,42){\line(5,3){126}}% %double bond 4-3 -\else\if\member d% - \put(690,42){\line(-5,3){126}}% %double bond 4-4a -\else\if\member e% - \put(348,42){\line(5,3){126}}% %double bond 10-4a -\else\if\member f% - \put(348,42){\line(-5,3){126}}% %double bond 10-10a -\else\if\member g% - \put(6,42){\line(5,3){126}}% %double bond 5-10a -\else\if\member h% - \put(-6,42){\line(-5,3){126}}% %double bond 5-6 -\else\if\member i% - \put(-138,129){\line(0,1){148}}% %double bond 6-7 -\else\if\member j% - \put(-6,364){\line(-5,-3){126}}% %double bond 8-7 -\else\if\member k% - \put(6,364){\line(5,-3){126}}% %double bond 8-8a -\else\if\member l% - \put(348,364){\line(-5,-3){126}}% %double bond 9-8a -\else\if\member m% - \put(348,364){\line(5,-3){126}}% %double bond 9-9a -\else\if\member n% - \put(690,364){\line(-5,-3){126}}% %double bond 1-9a -\else\if\member o% - \put(544,129){\line(0,1){148}}% %double bond 4a-9a -\else\if\member O% - \put(482,129){\line(0,1){148}}% %double bond 4a-9a at the other ring -\else\if\member p% - \put(138,129){\line(0,1){148}}% %double bond 10a-8a -\else\if\member P% - \put(204,129){\line(0,1){148}}% %double bond 10a-8a at the other ring -\else\if\member C%left aromatic circle - \put(0,203){\circle{240}} %circle -\else\if\member B%right aromatic circle - \put(342,203){\circle{240}}% %circle -\else\if\member A%right aromatic circle - \put(684,203){\circle{240}}% %circle -\else - \expandafter\twoCH@R\member//% - \set@fusion@hanthrav -\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi} -\put(0,0){\setsixringv{#2}{-7}{0}{2}{0}}% %for 8 positions -\put(0,0){\setsixringv{#2}{-1}{3}{7}{0}}% %for 5 to 7 positions -\put(684,0){\setsixringv{#2}{0}{0}{5}{0}}% %for 1 to 4 positions -\put(342,0){\setsixringv{#2}{-8}{0}{2}{0}}%for 9-position -\put(342,0){\setsixringv{#2}{-6}{3}{5}{0}}%for 10-position -\put(0,0){\setfusedbond{#2}{-12}{-1}{1}{0}}% for 8a and 10a -\put(342,0){\setfusedbond{#2}{-11}{-1}{1}{0}}% for 9a and 4a -\end{picture}}% %end of \hanthracenev macro% -\def\anthracenev{\@ifnextchar[{\@anthracenev}{\@anthracenev[r]}} -\def\@anthracenev[#1]#2{% - \iforigpt \typeout{command `anthracenev' is % - based on `hanthracenev'.}\fi% -%% \expandafter\threech@r#1{}{}%error1998/11/23 by Shinsaku Fujita - \expandafter\twoCH@R#1//% - \if\@tmpa r% right-handed set of double bonds - \hanthracenev[acflhjo]{#2}% - \else\if\@tmpa l% left-handed set of double bonds - \hanthracenev[acehjmp]{#2}% - \else\if\@tmpa A%aromatic circle - \hanthracenev[ABC]{#2}% - \else\if\@tmpa p%9,10-quinone - \if\@tmpb a% (A)% - \hanthracenev[achjop]{#2}% - \else\ifx\@tmpb\empty% (A) - \hanthracenev[achjop]{#2}% - \else\if\@tmpb A% circle type - \hanthracenev[AC]{#2}% - \else - \hanthracenev[achjop]{#2}% - \fi\fi\fi% - \else\if\@tmpa o%o-quinone - \if\@tmpb a% (A)% - \hanthracenev[cfjhlo]{#2}% - \else\ifx\@tmpb\empty% (A) - \hanthracenev[cehjmp]{#2}% - \else\if\@tmpb b% (B) - \hanthracenev[dfhjln]{#2}% - \else\if\@tmpb c% (C) - \hanthracenev[aehjmp]{#2}% - \else\if\@tmpb A% cicle type - \hanthracenev[cBC]{#2}% - \fi\fi\fi\fi\fi% - \else\if\@tmpa q%1,4-quinone - \if\@tmpb a% (A)% - \hanthracenev[bfhjlo]{#2}% - \else\ifx\@tmpb\empty% (A) - \hanthracenev[behjmp]{#2}% - \else\if\@tmpb A% circle type - \hanthracenev[AB]{#2}% - \else% - \hanthracenev[behjmp]{#2}% - \fi\fi\fi% - \else - \hanthracenev[@#1]{#2}% - \fi\fi\fi\fi\fi\fi% -}% %end of \anthracenev macro% -\def\hphenanthrenev{% - \@ifnextchar[{\@hphenanthrenev[@}{\@hphenanthrenev[r]}} -\def\@hphenanthrenev[#1]#2{% -\@reset@ylsw\reset@@yl -\ylposition{#2}{-4}{0}{2}{0}% %for 5 position -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -\ylposition{#2}{12}{3}{7}{-1}% %for 6 to 8 positions -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi\else -\ylposition{#2}{13}{2}{5}{-1}% %for 9 to 10 positions -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi\else -\ylposition{#2}{4}{0}{4}{-1}% %for 1 to 3 positions -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-513}\def\@@yli{-303}\fi\else -\ylposition{#2}{2}{5}{7}{0}% %for 4-position -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-513}\def\@@yli{-303}\fi\else -\ylfusedposition{#2}{-12}{-1}{1}{0}% % for 4b and 8a -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi\else -\ylfusedposition{#2}{-10}{0}{2}{0}% % for 4a and 10a -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi\fi -\if@ylsw - \yl@shiftii=\@ylii - \ifx\@@ylii\empty\else - \advance\yl@shiftii\@@ylii\fi - \yl@shifti=\@yli - \ifx\@@yli\empty\else - \advance\yl@shifti\@@yli\fi - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(1200,1200)(-\shiftii,-\shifti) - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `hphenanthrenev' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi - \put(0,406){\line(-5,-3){171}}% %bond 6-5 - \put(0,406){\line(5,-3){171}}% %bond 5-4a - \put(0,0){\line(-5,3){171}}% %bond 8-7 - \put(0,0){\line(5,3){171}}% %bond 8-8a - \put(171,103){\line(0,1){200}}% %bond 8a-4b - \put(-171,103){\line(0,1){200}}% %bond 7-6 - \put(342,406){\line(-5,-3){171}}% %bond 4a-4b - \put(342,406){\line(5,-3){171}}% %bond 4a-10a - \put(342,0){\line(-5,3){171}}% %bond 9-8a - \put(342,0){\line(5,3){171}}% %bond 9-10 - \put(513,103){\line(0,1){200}}% %bond 10-10a - %%%% - \put(342,406){\line(0,1){200}}% %bond 4a-4 - \put(513,709){\line(-5,-3){171}}% %bond 3-4 - \put(513,709){\line(5,-3){171}}% %bond 3-2 - \put(684,406){\line(0,1){200}}% %bond 1-2 - \put(513,303){\line(5,3){171}}% %bond 10a-1 -\@tfor\member:=#1\do{% -\if\member r%no endcyclic double bonds -\else\if\member a% - \put(651,432){\line(0,1){148}}% %double bond 1-2 -\else\if\member b% - \put(519,667){\line(5,-3){126}}% %double bond 3-2 -\else\if\member c% - \put(519,667){\line(-5,-3){126}}% %double bond 3-4 -\else\if\member d% - \put(375,432){\line(0,1){148}}% %double bond 4a-4 -\else\if\member e% - \put(348,364){\line(-5,-3){126}}% %double bond 4a-4b -\else\if\member f% - \put(6,364){\line(5,-3){126}}% %double bond 5-4b -\else\if\member g% - \put(-6,364){\line(-5,-3){126}}% %double bond 5-6 -\else\if\member h% - \put(-138,129){\line(0,1){148}}% %double bond 6-7 -\else\if\member i% - \put(-6,42){\line(-5,3){126}}% %double bond 8-7 -\else\if\member j% - \put(6,42){\line(5,3){126}}% %double bond 8-8a -\else\if\member k% - \put(348,42){\line(-5,3){126}}% %double bond 9-8a -\else\if\member l% - \put(348,42){\line(5,3){126}}% %double bond 9-10 -\else\if\member m% - \put(482,129){\line(0,1){148}}% %double bond 10-10a -\else\if\member n% - \put(519,345){\line(5,3){126}}% %double bond 10a-1 -\else\if\member o% - \put(507,345){\line(-5,3){126}}% %double bond 10a-4a -\else\if\member O% - \put(348,364){\line(5,-3){126}}% %double bond 4a-10a -\else\if\member p% - \put(138,129){\line(0,1){148}}% %double bond 8a-4b -\else\if\member P% - \put(204,129){\line(0,1){148}}% %double bond 8a-4b -\else\if\member C%left aromatic circle - \put(0,203){\circle{240}} %circle -\else\if\member B%right aromatic circle - \put(342,203){\circle{240}}% %circle -\else\if\member A%right aromatic circle - \put(513,506){\circle{240}}% %circle -\else - \expandafter\twoCH@R\member//% - \set@fusion@hphenanv -\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi}% -\put(0,0){\setsixringv{#2}{-4}{0}{2}{0}}% %for 5 position -\put(0,0){\setsixringv{#2}{12}{3}{7}{-1}}% %for 6 to 8 positions -\put(342,0){\setsixringv{#2}{13}{2}{5}{-1}}% %for 9 to 10 positions -\put(513,303){\setsixringv{#2}{4}{0}{4}{-1}}% %for 1 to 3 positions -\put(513,303){\setsixringv{#2}{2}{5}{7}{0}}% %for 4-position -\put(0,0){\setfusedbond{#2}{-12}{-1}{1}{0}}% % for 4b and 8a -\put(342,0){\setfusedbond{#2}{-10}{0}{2}{0}}% % for 4a and 10a -\end{picture}}% %end of \hphenanthrenev macro% -\def\phenanthrenev{\@ifnextchar[{\@phenanthrenev}{\@phenanthrenev[r]}} -\def\@phenanthrenev[#1]#2{% - \iforigpt \typeout{command `phenanthrenev' is % - based on `hphenantherenv'.}\fi% - \expandafter\threech@r#1{}{}% - \if\@tmpa r% right-handed set of double bonds - \hphenanthrenev[acgilop]{#2}% - \else\if\@tmpa A%aromatic circle - \hphenanthrenev[ABC]{#2}% - \else\if\@tmpa p%1,4-quinone - \if\@tmpb a% (A)% - \hphenanthrenev[bgilop]{#2}% - \else\ifx\@tmpb\empty% (A) - \hphenanthrenev[bgilop]{#2}% - \else\if\@tmpb A% circle type - \hphenanthrenev[BCb]{#2}% - \else - \hphenanthrenev[bgilop]{#2}% - \fi\fi\fi% - \else\if\@tmpa o%o-quinone - \if\@tmpb a% (A)% - \hphenanthrenev[cgilop]{#2}% - \else\ifx\@tmpb\empty% (A) - \hphenanthrenev[cgilop]{#2}% - \else\if\@tmpb b% (B) - \hphenanthrenev[dgilnp]{#2}% - \else\if\@tmpb c% (C) - \hphenanthrenev[agilop]{#2}% - \else\if\@tmpb A% cicle type - \hphenanthrenev[cBC]{#2}% - \fi\fi\fi\fi\fi% - \else\if\@tmpa q%9,10-quinone - \if\@tmpb a% (A)% - \hphenanthrenev[acgiop]{#2}% - \else\ifx\@tmpb\empty% (A) - \hphenanthrenev[acgiop]{#2}% - \else\if\@tmpb A% circle type - \hphenanthrenev[AC]{#2}% - \else - \hphenanthrenev[acgiop]{#2}% - \fi\fi\fi% - \else - \hphenanthrenev[@#1]{#2}% - \fi\fi\fi\fi\fi% -}% %end of \phenanthrenev macro% -\def\steroid{\@ifnextchar[{\@steroid[@}{\@steroid[Z]}} -\def\@steroid[#1]#2{% -\@reset@ylsw\reset@@yl -\yl@steroidposition{#2}% -\if@ylsw - \yl@shiftii=\@ylii - \ifx\@@ylii\empty\else - \advance\yl@shiftii\@@ylii\fi - \yl@shifti=\@yli - \ifx\@@yli\empty\else - \advance\yl@shifti\@@yli\fi - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(1600,1300)(-\shiftii,-\shifti) - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `steroid' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi - \put(0,0){\@steroidskeleton{#1}{#2}}% -\end{picture}}% %end of \steroid macro% -\def\yl@steroidposition#1{% -\ylposition{#1}{0}{0}{2}{0}% %for 1 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -\ylposition{#1}{8}{3}{7}{-1}% %for 2 to 4 positions -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi\else -\ylposition{#1}{10}{2}{5}{-1}% %for 6 to 7 positions -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi\else -\ylposition{#1}{-11}{0}{2}{0}%for 12 position -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-513}\def\@@yli{-303}\fi\else -\ylposition{#1}{-5}{5}{7}{0}% %for 11 position -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-513}\def\@@yli{-303}\fi\else -\ylposition{#1}{18}{0}{4}{-1}%for 15 to 17 positions -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-855}\def\@@yli{-303}\fi\else -\ylatombondposition{#1}{-4}{7}% % for 5 -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-171}\def\@@yli{-103}\fi\else -\ylatombondposition{#1}{-9}{1}% % for 10 -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-171}\def\@@yli{-303}\fi\else -\ylatombondposition{#1}{-7}{1}% % for 8 -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-513}\def\@@yli{-303}\fi\else -\ylatombondposition{#1}{-8}{7}% % for 9 -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{-406}\fi\else -\ylatombondposition{#1}{-13}{7}% % for 14 -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-684}\def\@@yli{-406}\fi\else -\ylatombondposition{#1}{-12}{1}% % for 13 -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-684}\def\@@yli{-606}\fi\fi% -}% end of \yl@steroidposition -\def\@steroidskeleton#1#2{% - \put(0,406){\line(-5,-3){171}}% %bond 1-2 - \put(0,406){\line(5,-3){171}}% %bond 1-10 - \put(0,0){\line(-5,3){171}}% %bond 4-3 - \put(0,0){\line(5,3){171}}% %bond 4-5 - \put(171,103){\line(0,1){200}}% %bond 5-10 - \put(-171,103){\line(0,1){200}}% %bond 3-2 - \put(342,406){\line(-5,-3){171}}% %bond 9-10 - \put(342,406){\line(5,-3){171}}% %bond 9-8 - \put(342,0){\line(-5,3){171}}% %bond 6-5 - \put(342,0){\line(5,3){171}}% %bond 6-7 - \put(513,103){\line(0,1){200}}% %bond 7-8 - %%%% - \put(342,406){\line(0,1){200}}% %bond 9-11 - \put(513,709){\line(-5,-3){171}}% %bond 12-11 - \put(513,709){\line(5,-3){171}}% %bond 12-13 - \put(684,406){\line(0,1){200}}% %bond 14-13 - \put(513,303){\line(5,3){171}}% %bond 8-14 - %%%% - \put(855,709){\line(-5,-3){171}}% %bond 17-13 - \put(855,709){\line(5,-3){171}}% %bond 17-16 - \put(1026,406){\line(0,1){200}}% %bond 15-16 - \put(684,406){\line(1,0){342}}% %bond 14-15 -\@tfor\member:=#1\do{% -\if\member Z%no endcyclic double bonds -\else\if\member a% - \put(-6,364){\line(-5,-3){126}}% %double bond 1-2 5-6 -\else\if\member b% - \put(-138,129){\line(0,1){148}}% %double bond 3-2 6-7 -\else\if\member c% - \put(-6,42){\line(-5,3){126}}% %double bond 4-3 8-7 -\else\if\member d% - \put(6,42){\line(5,3){126}}% %double bond 4-5 8-8a -\else\if\member e% - \put(348,42){\line(-5,3){126}}% %double bond 6-5 9-8a -\else\if\member f% - \put(348,42){\line(5,3){126}}% %double bond 6-7 9-10 -\else\if\member g% - \put(482,129){\line(0,1){148}}% %double bond 7-8 10-10a -\else\if\member h% - \put(507,345){\line(-5,3){126}}% %double bond 8-9 10a-4a -\else\if\member H% - \put(348,364){\line(5,-3){126}}% %double bond 9-8 4a-10a -\else\if\member i% - \put(348,364){\line(-5,-3){126}}% %double bond 9-10 4a-4b -\else\if\member j% - \put(6,364){\line(5,-3){126}}% %double bond 1-10 5-4b -\else\if\member k% - \put(138,129){\line(0,1){148}}% %double bond 5-10 8a-4b -\else\if\member K% - \put(204,129){\line(0,1){148}}% %double bond 5-10 8a-4b -\else\if\member l% - \put(375,432){\line(0,1){148}}% %double bond 9-11 4-5 -\else\if\member m% - \put(519,667){\line(-5,-3){126}}% %double bond 12-11 3-4 -\else\if\member n% - \put(519,667){\line(5,-3){126}}% %double bond 12-13 3-2 -\else\if\member o% - \put(651,432){\line(0,1){148}}% %double bond 13-14 1-2 -\else\if\member O% - \put(717,432){\line(0,1){148}}% %double bond 13-14 1-2 -\else\if\member p% - \put(519,345){\line(5,3){126}}% %double bond 8-14 10a-1 -\else\if\member q% - \put(720,439){\line(1,0){260}}% %double bond 14-15 -\else\if\member r% - \put(993,432){\line(0,1){148}}% %double bond 15-16 1-2 -\else\if\member s% - \put(861,667){\line(5,-3){126}}% %double bond 17-16 3-2 -\else\if\member t% - \put(861,667){\line(-5,-3){126}}% %double bond 17-13 3-4 -\else\if\member A%left aromatic circle - \put(0,203){\circle{240}}% %circle -\else\if\member B%right aromatic circle - \put(342,203){\circle{240}}% %circle -\else\if\member C%right aromatic circle - \put(513,506){\circle{240}}% %circle -\else - \expandafter\twoCH@R\member//% - \set@fusion@steroid -\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -\fi\fi\fi\fi\fi\fi\fi\fi\fi}% -\iniflag -\put(0,0){\setsixringv{#2}{0}{0}{2}{0}}% %for 1 -\put(0,0){\setsixringv{#2}{8}{3}{7}{-1}}% %for 2 to 4 positions -\put(342,0){\setsixringv{#2}{10}{2}{5}{-1}}% %for 6 to 7 positions -\put(513,303){\setsixringv{#2}{-11}{0}{2}{0}}%for 12 position -\put(513,303){\setsixringv{#2}{-5}{5}{7}{0}}% %for 11 position -\put(855,303){\setsixringv{#2}{18}{0}{4}{-1}}%for 15 to 17 positions -\put(171,103){\setatombond{#2}{-4}{7}}% % for 5 -\put(171,303){\setatombond{#2}{-9}{1}}% % for 10 -\put(513,303){\setatombond{#2}{-7}{1}}% % for 8 -\put(342,406){\setatombond{#2}{-8}{7}}% % for 9 -\put(684,406){\setatombond{#2}{-13}{7}}% % for 14 -\put(684,606){\setatombond{#2}{-12}{1}}% % for 13 -}% end of \@steroidskeleton -\def\set@fusion@steroid{% - \let\@@tmpa=\@tmpa - \let\@@tmpb=\@tmpb - \if\@tmpa a% - \edef\@@tmpa{f}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa A% - \edef\@@tmpa{F}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa b% - \edef\@@tmpa{e}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa B% - \edef\@@tmpa{E}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa c% - \edef\@@tmpa{d}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa C% - \edef\@@tmpa{D}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa d% - \edef\@@tmpa{c}% - \put(0,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `d'}% - \fi - \else\if\@tmpa D% - \edef\@@tmpa{C}% - \put(0,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `D'}% - \fi - \else\if\@tmpa e% - \edef\@@tmpa{d}% - \put(342,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `e'}% - \fi - \else\if\@tmpa E% - \edef\@@tmpa{D}% - \put(342,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `E'}% - \fi - \else\if\@tmpa f% - \edef\@@tmpa{c}% - \put(342,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `f'}% - \fi - \else\if\@tmpa F% - \edef\@@tmpa{C}% - \put(342,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `f'}% - \fi - \else\if\@tmpa g% - \edef\@@tmpa{b}% - \put(342,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `g'}% - \fi - \else\if\@tmpa G% - \edef\@@tmpa{B}% - \put(342,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `g'}% - \fi - \else\if\@tmpa h% - \edef\@@tmpa{a}% - \put(342,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Forbidden Fusion for bond `h'}% - \fi - \else\if\@tmpa H% - \edef\@@tmpa{A}% - \put(342,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Forbidden Fusion for bond `H'}% - \fi - \else\if\@tmpa i% - \edef\@@tmpa{f}% - \put(342,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `i'}% - \fi - \else\if\@tmpa I% - \edef\@@tmpa{F}% - \put(342,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `I'}% - \fi - \else\if\@tmpa j% - \edef\@@tmpa{a}% - \put(0,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `j'}% - \fi - \else\if\@tmpa J% - \edef\@@tmpa{A}% - \put(0,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `J'}% - \fi - \else\if\@tmpa k% - \edef\@@tmpa{b}% - \put(0,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Forbidden Fusion for bond `k'}% - \fi - \else\if\@tmpa K% - \edef\@@tmpa{B}% - \put(0,0){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Forbidden Fusion for bond `K'}% - \fi - \else\if\@tmpa l% - \edef\@@tmpa{e}% - \put(513,303){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `l'}% - \fi - \else\if\@tmpa L% - \edef\@@tmpa{E}% - \put(513,303){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `L'}% - \fi - \else\if\@tmpa m% - \edef\@@tmpa{f}% - \put(513,303){\set@fusionadd@sixv}% - \else\if\@tmpa M% - \edef\@@tmpa{F}% - \put(513,303){\set@fusionadd@sixv}% - \else\if\@tmpa n% - \edef\@@tmpa{a}% - \put(513,303){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `n'}% - \fi - \else\if\@tmpa N% - \edef\@@tmpa{A}% - \put(513,303){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `N'}% - \fi - \else\if\@tmpa o% - \edef\@@tmpa{b}% - \put(513,303){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Forbidden Fusion for bond `o'}% - \fi - \else\if\@tmpa O% - \edef\@@tmpa{B}% - \put(513,303){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Forbidden Fusion for bond `O'}% - \fi - \else\if\@tmpa p% - \edef\@@tmpa{c}% - \put(513,303){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `N'}% - \fi - \else\if\@tmpa P% - \edef\@@tmpa{C}% - \put(513,303){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `N'}% - \fi - \else\if\@tmpa q% - \XyMTeXWarning{Mismatched dimension for bond `q'}% - \else\if\@tmpa Q% - \XyMTeXWarning{Mismatched dimension for bond `Q'}% - \else\if\@tmpa r% - \edef\@@tmpa{b}% - \put(855,303){\set@fusionadd@sixv}% - \else\if\@tmpa R% - \edef\@@tmpa{B}% - \put(855,303){\set@fusionadd@sixv}% - \else\if\@tmpa s% - \edef\@@tmpa{a}% - \put(855,303){\set@fusionadd@sixv}% - \else\if\@tmpa S% - \edef\@@tmpa{A}% - \put(855,303){\set@fusionadd@sixv}% - \else\if\@tmpa t% - \edef\@@tmpa{f}% - \put(855,303){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `t'}% - \fi - \else\if\@tmpa T% - \edef\@@tmpa{F}% - \put(855,303){\set@fusionadd@sixv}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `T'}% - \fi - \fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@steroid -\def\steroidchain{\@ifnextchar[{\@steroidchain[@}{\@steroidchain[Z]}} -\def\@steroidchain[#1]#2{% -\@reset@ylsw\reset@@yl -\yl@steroidposition{#2}% -\ylposition{#2}{-21}{0}{3}{0}%for 22 and 23 positions -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-1026}\def\@@yli{-606}\fi -\else -\ylposition{#2}{-14}{5}{7}{0}%for 20 position -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-1026}\def\@@yli{-606}\fi\else -\ylposition{#2}{-20}{3}{5}{0}%for 24 position -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-1197}\def\@@yli{-709}\fi\else -\ylatombondposition{#2}{-24}{4}% % for 5 -\fi -\if@ylsw\ifx\@@ylii\empty -\def\@@ylii{-1397}\def\@@yli{-709}\fi\fi -\if@ylsw - \yl@shiftii=\@ylii - \ifx\@@ylii\empty\else - \advance\yl@shiftii\@@ylii\fi - \yl@shifti=\@yli - \ifx\@@yli\empty\else - \advance\yl@shifti\@@yli\fi - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(2000,1500)(-\shiftii,-\shifti) - \iforigpt \typeout{command `steroidchain' is based on `steroid'.}\fi% -\fi - \put(0,0){\@steroidskeleton{#1}{#2}}% - \put(855,709){\line(0,1){200}}% %bond 17-20 - \put(1026,1012){\line(-5,-3){171}}% %bond 22-20 - \put(1026,1012){\line(5,-3){171}}% %bond 22-23 - \put(1197,709){\line(0,1){200}}% %bond 24-23 - \put(1197,709){\line(1,0){200}}% %bond 24-25 - \put(1397,709){\line(3,5){103}}% %bond 25-26 - \put(1397,709){\line(3,-5){103}}% %bond 25-27 -\@tfor\member:=#1\do{% -\expandafter\twoCH@R\member//\relax% -\if\@tmpa Z\relax% - \ifx\@tmpb\empty%no action - \else\if\@tmpb a% - \put(888,735){\line(0,1){148}}% %double bond 17-20 - \else\if\@tmpb b% - \put(1020,970){\line(-5,-3){126}}% %double bond 22-20 - \else\if\@tmpb c% - \put(1032,970){\line(5,-3){126}}% %double bond 22-23 - \else\if\@tmpb d% - \put(1164,735){\line(0,1){148}}% %double bond 24-23 - \else\if\@tmpb e% - \put(1233,742){\line(1,0){140}}% %double bond 24-25 - \else\if\@tmpb f% - \put(1433,715){\line(3,5){72}}% %double bond 25-26 - \else\if\@tmpb g% - \put(1433,697){\line(3,-5){72}}% %double bond 25-27 - \fi\fi\fi\fi\fi\fi\fi\fi\fi} -\put(1026,606){\setsixringv{#2}{-21}{0}{3}{0}}%for 22 and 23 positions -\put(1026,606){\setsixringv{#2}{-14}{5}{7}{0}}%for 20 position -\put(1197,709){\setsixringv{#2}{-20}{3}{5}{0}}%for 24 position -\put(1397,709){\setatombond{#2}{-24}{4}}% % for 5 -\end{picture}}% %end of \steroidchain macro% -\endinput -%% -%% End of file `carom.sty'. diff --git a/Master/texmf-dist/tex/latex/xymtex/ccycle.sty b/Master/texmf-dist/tex/latex/xymtex/ccycle.sty deleted file mode 100644 index a0ce11a5c5c..00000000000 --- a/Master/texmf-dist/tex/latex/xymtex/ccycle.sty +++ /dev/null @@ -1,1854 +0,0 @@ -%% -%% This is file `ccycle.sty', -%% generated with the docstrip utility. -%% -%% The original source files were: -%% -%% ccycle.dtx (with options: `ccycle') -%% -%% This is a generated file. -%% -%% Copyright 1996,1998 by Shinsaku Fujita -%% -%% This file is part of the XyMTeX system. -%% ======================================= -%% -%% Version 1.01 Released on August 16, 1996 -%% Version 1.02 Released on October 31, 1996 -%% Version 2.00 Released on December 25, 1998 -%% -%% Copyright (C) 1996,1998 by Shinsaku Fujita, all rights reserved. -%% This style file is created for drawing chemical structural formulas -%% This style file is to be contained in the ``xymtex'' directory which -%% is an input directory for TeX. -%% -%% Copying of this file is authorized only if either -%% -%% (1) you make absolutely no changes to your copy, including name and -%% directory name -%% (2) if you do make changes, -%% (a) you name it something other than the names included in the -%% ``xymtex'' directory and -%% (b) you acknowledge the original name. -%% This restriction ensures that all standard styles are identical. -%% -%% ======================================= -%% -%% This file contains several codes modified from latex.tex (LaTeX2.09) -%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -%% Copyright 1994 the LaTeX3 project and the individual authors (For further -%% copyright information see the file legal.txt of the LaTeX2e standard -%% distribution, and any other copyright indicated in this file.) -%% -%% File: ccycle.dtx -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00} -\typeout{ -- Released December 25, 1998 by Shinsaku Fujita} -\def\j@urnalname{ccycle} -\def\versi@ndate{December 25, 1998} -\def\versi@nno{ver2.00} -\def\copyrighth@lder{SF} % Shinsaku Fujita -\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>% -\space[\copyrighth@lder]} -\@ifundefined{setsixringv}{\input chemstr.sty\relax}{} -\unitlength=0.1pt -\def\@chaira{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10 - \yl@ydiff=10 - \put(0,0){\line(-1,1){120}}% single bond at 1 - \putlatom{-130}{110}{\@memberb}% left type - \else\if\@tmpc a%(a) axial - \yl@xdiff=42 - \yl@ydiff=-12 - \put(0,0){\line(0,1){168}}% single bond at 1 axial - \putlratom{-42}{180}{\@memberb}% left & right type - \else\if\@tmpc e%(e) beta - \yl@xdiff=16 - \yl@ydiff=44 - \put(0,0){\line(-5,-3){144}}% single bond at 1 equatorial - \putlatom{-160}{-130}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=10 - \yl@ydiff=10 - \put(-10,-10){\line(-1,1){120}}% double bond at 1 - \put(10,10){\line(-1,1){120}}% double bond at 1 - \putlatom{-130}{110}{\@memberb}% left type - \else% - \yl@xdiff=10 - \yl@ydiff=10 - \put(0,0){\line(-1,1){120}}% single bond at 1 - \putlatom{-130}{110}{\@memberb}% left type - \fi\fi}% -\def\@chairb{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10 - \yl@ydiff=70 - \put(170,-226){\line(-1,-1){120}}% single bond at 2 - \putlatom{40}{-416}{\@memberb}% left type - \else\if\@tmpc a%(a) axial - \yl@xdiff=32 - \yl@ydiff=92 - \put(170,-226){\line(0,-1){168}}% single bond at 2 axial - \putlratom{138}{-486}{\@memberb}% left & right type - \else\if\@tmpc e%(e) beta - \yl@xdiff=16 - \yl@ydiff=34 - \put(170,-226){\line(-5,3){144}}% single bond at 2 equatorial - \putlatom{10}{-174}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=10 - \yl@ydiff=70 - \put(160,-216){\line(-1,-1){120}}% double bond at 2 - \put(180,-236){\line(-1,-1){120}}% double bond at 2 - \putlatom{40}{-416}{\@memberb}% left type - \else% - \yl@xdiff=10 - \yl@ydiff=70 - \put(170,-226){\line(-1,-1){120}}% single bond at 2 - \putlatom{40}{-416}{\@memberb}% left type - \fi\fi}% -\def\@chairc{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10 - \yl@ydiff=24 - \put(573,-91){\line(5,4){170}}% single bond at 3 - \putratom{753}{21}{\@memberb}% right type - \else\if\@tmpc a%(a) axial - \yl@xdiff=40 - \yl@ydiff=-24 - \put(573,-91){\line(0,1){168}}% single bond at 3 axial - \putlratom{533}{101}{\@memberb}% left type - \else\if\@tmpc e%(e) beta - \yl@xdiff=-36 - \yl@ydiff=83 - \put(573,-91){\line(5,-3){144}}% single bond at 3 equatorial - \putlatom{753}{-260}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=0 - \yl@ydiff=0 - \put(563,-83){\line(5,4){170}}% double bond at 3 - \put(583,-99){\line(5,4){170}}% double bond at 3 - \putratom{733}{41}{\@memberb}% right type - \else% - \yl@xdiff=-10 - \yl@ydiff=24 - \put(573,-91){\line(5,4){170}}% single bond at 3 - \putratom{753}{21}{\@memberb}% right type - \fi\fi}% -\def\@chaird{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10 - \yl@ydiff=70 - \put(843,-181){\line(1,-1){120}}% single bond at 4 - \putratom{953}{-371}{\@memberb}% right type - \else\if\@tmpc a%(a) axial - \yl@xdiff=42 - \yl@ydiff=91 - \put(843,-181){\line(0,-1){168}}% single bond at 4 axial - \putlratom{801}{-440}{\@memberb}% left & right type - \else\if\@tmpc e%(e) beta - \yl@xdiff=-16 - \yl@ydiff=16 - \put(843,-181){\line(5,3){144}}% single bond at 4 equatorial - \putratom{1003}{-111}{\@memberb}% right type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=10 - \yl@ydiff=70 - \put(833,-191){\line(1,-1){120}}% double bond at 4 - \put(853,-171){\line(1,-1){120}}% double bond at 4 - \putratom{953}{-371}{\@memberb}% right type - \else% - \yl@xdiff=10 - \yl@ydiff=70 - \put(843,-181){\line(1,-1){120}}% single bond at 4 - \putratom{953}{-371}{\@memberb}% right type - \fi\fi}% -\def\@chaire{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10 - \yl@ydiff=10 - \put(673,46){\line(1,1){120}}% single bond at 5 - \putratom{803}{158}{\@memberb}% right type - \else\if\@tmpc a%(a) axial - \yl@xdiff=40 - \yl@ydiff=-24 - \put(673,46){\line(0,1){168}}% single bond at 5 axial - \putlratom{633}{238}{\@memberb}% left & right type - \else\if\@tmpc e%(e) beta - \yl@xdiff=-6 - \yl@ydiff=63 - \put(673,46){\line(5,-3){144}}% single bond at 5 equatorial - \putratom{823}{-103}{\@memberb}% right type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=-10 - \yl@ydiff=10 - \put(663,53){\line(1,1){120}}% double bond at 5 - \put(683,38){\line(1,1){120}}% double bond at 5 - \putratom{803}{158}{\@memberb}% right type - \else% - \yl@xdiff=-10 - \yl@ydiff=24 - \put(673,46){\line(5,4){170}}% single bond at 5 - \putratom{853}{158}{\@memberb}% right type - \fi\fi}% -\def\@chairf{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=0 - \yl@ydiff=54 - \put(270,-90){\line(-5,-4){170}}% single bond at 2 - \putlatom{100}{-280}{\@memberb}% left type - \else\if\@tmpc a%(a) axial - \yl@xdiff=32 - \yl@ydiff=92 - \put(270,-90){\line(0,-1){168}}% single bond at 2 axial - \putlratom{238}{-350}{\@memberb}% left type - \else\if\@tmpc e%(e) beta - \yl@xdiff=26 - \yl@ydiff=-14 - \put(270,-90){\line(-5,3){144}}% single bond at 2 equatorial - \putratom{100}{18}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=0 - \yl@ydiff=54 - \put(260,-80){\line(-5,-4){170}}% double bond at 2 - \put(280,-100){\line(-5,-4){170}}% double bond at 2 - \putlatom{100}{-280}{\@memberb}% left or right type - \else% - \yl@xdiff=0 - \yl@ydiff=54 - \put(270,-90){\line(-5,-4){170}}% single bond at 2 - \putlatom{100}{-280}{\@memberb}% left type - \fi\fi}% -\def\chair{\@ifnextchar[{\@chair}{\@chair[r]}} -\def\@chair[#1]#2{% -\@reset@ylsw% -\ylchairposition{#2}% -\def\@@ylii{0}\def\@@yli{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) -\else - \begin{picture}(1600,800)(-400,-500) - \iforigpt \put(-400,-500){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `chair' origin: (0,0) ---> (400,500)} - \fi% -\fi - \thicklines% - \put(0,0){\line(3,-4){170}}% % bond 1 to 2 - \put(170,-226){\line(3,1){403}}% % 2 to 3 - \put(573,-91){\line(3,-1){270}}% % 3 to 4 - \thinlines% - \put(843,-181){\line(-3,4){170}}% % 4 to 5 - \put(673,46){\line(-3,-1){403}}% % 5 to 6 - \put(0,0){\line(3,-1){270}}% % 1 to 6 -\@tfor\member:=#1\do{% -\if\member r%no endcyclic bonds -\else \if\member a% - \put(76,-42){\line(3,-4){110}}% % double bond 1 to 2 -\else \if\member b% - \put(200,-186){\line(3,1){343}}% % 2 to 3 -\else \if\member c% - \put(603,-70){\line(3,-1){190}}% % 3 to 4 -\else \if\member d% - \put(780,-141){\line(-3,4){110}}% % 4 to 5 -\else \if\member e% - \put(661,6){\line(-3,-1){343}}% % 5 to 6 -\else \if\member f% - \put(75,-50){\line(3,-1){170}}% % 1 to 6 -\fi\fi\fi\fi\fi\fi\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa%0 omit - \or\@chaira% subst. on 1 - \or\@chairb% subst. on 2 - \or\@chairc% subst. on 3 - \or\@chaird% subst. on 4 - \or\@chaire% subst. on 5 - \or\@chairf% subst. on 6 -\fi%end of ifcase -\fi\fi% -}\end{picture}}% %end of \chair macro -\def\ylchairposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa%0 omit - \or\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1 - \or\gdef\@ylii{-170}\gdef\@yli{226}\global\@ylswtrue% subst. on 2 - \or\gdef\@ylii{-573}\gdef\@yli{91}\global\@ylswtrue% subst. on 3 - \or\gdef\@ylii{-843}\gdef\@yli{181}\global\@ylswtrue% subst. on 4 - \or\gdef\@ylii{-673}\gdef\@yli{-46}\global\@ylswtrue% subst. on 5 - \or\gdef\@ylii{-270}\gdef\@yli{90}\global\@ylswtrue% subst. on 6 -\fi%end of ifcase -\fi\fi\fi}}% -\def\@chairia{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10 - \yl@ydiff=90 - \put(0,0){\line(-1,-1){120}}% single bond at 1 - \putlatom{-130}{-210}{\@memberb}% left type - \else\if\@tmpc a%(a) axial - \yl@xdiff=42 - \yl@ydiff=92 - \put(0,0){\line(0,-1){168}}% single bond at 1 axial - \putlratom{-42}{-260}{\@memberb}% left & right type - \else\if\@tmpc e%(e) beta - \yl@xdiff=16 - \yl@ydiff=36 - \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial - \putlatom{-160}{50}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=10 - \yl@ydiff=90 - \put(-10,10){\line(-1,-1){120}}% double bond at 1 - \put(10,-10){\line(-1,-1){120}}% double bond at 1 - \putlatom{-130}{-210}{\@memberb}% left type - \else% - \yl@xdiff=10 - \yl@ydiff=90 - \put(0,0){\line(-1,-1){120}}% single bond at 1 - \putlatom{-130}{-210}{\@memberb}% left type - \fi\fi}% -\def\@chairif{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10 - \yl@ydiff=30 - \put(170,226){\line(-1,1){120}}% single bond at 6 - \putratom{40}{316}{\@memberb}% left type - \else\if\@tmpc a%(a) axial - \yl@xdiff=32 - \yl@ydiff=-12 - \put(170,226){\line(0,1){168}}% single bond at 6 axial - \putlratom{138}{406}{\@memberb}% left & right type - \else\if\@tmpc e%(e) beta - \yl@xdiff=16 - \yl@ydiff=46 - \put(170,226){\line(-5,-3){144}}% single bond at 6 equatorial - \putlatom{10}{94}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=10 - \yl@ydiff=30 - \put(160,216){\line(-1,1){120}}% double bond at 6 - \put(180,236){\line(-1,1){120}}% double bond at 6 - \putlatom{40}{316}{\@memberb}% left type - \else% - \yl@xdiff=10 - \yl@ydiff=30 - \put(170,226){\line(-1,1){120}}% single bond at 6 - \putlatom{40}{316}{\@memberb}% left type - \fi\fi}% -\def\@chairie{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10 - \yl@ydiff=76 - \put(573,91){\line(5,-4){170}}% single bond at 5 - \putratom{753}{-101}{\@memberb}% right type - \else\if\@tmpc a%(a) axial - \yl@xdiff=40 - \yl@ydiff=104 - \put(573,91){\line(0,-1){168}}% single bond at 5 axial - \putlratom{533}{-181}{\@memberb}% left type - \else\if\@tmpc e%(e) beta - \yl@xdiff=-36 - \yl@ydiff=3 - \put(573,91){\line(5,3){144}}% single bond at 5 equatorial - \putlatom{753}{180}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=-10 - \yl@ydiff=96 - \put(563,83){\line(5,-4){170}}% double bond at 5 - \put(583,99){\line(5,-4){170}}% double bond at 5 - \putratom{733}{-141}{\@memberb}% right type - \else% - \yl@xdiff=-10 - \yl@ydiff=76 - \put(573,91){\line(5,-4){170}}% single bond at 5 - \putratom{753}{-121}{\@memberb}% right type - \fi\fi}% -\def\@chairid{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10 - \yl@ydiff=30 - \put(843,181){\line(1,1){120}}% single bond at 4 - \putratom{953}{271}{\@memberb}% right type - \else\if\@tmpc a%(a) axial - \yl@xdiff=42 - \yl@ydiff=-11 - \put(843,181){\line(0,1){168}}% single bond at 4 axial - \putlratom{801}{360}{\@memberb}% left & right type - \else\if\@tmpc e%(e) beta - \yl@xdiff=-16 - \yl@ydiff=64 - \put(843,181){\line(5,-3){144}}% single bond at 4 equatorial - \putratom{1003}{31}{\@memberb}% right type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=10 - \yl@ydiff=30 - \put(833,191){\line(1,1){120}}% double bond at 4 - \put(853,171){\line(1,1){120}}% double bond at 4 - \putratom{953}{271}{\@memberb}% right type - \else% - \yl@xdiff=10 - \yl@ydiff=30 - \put(843,181){\line(1,1){120}}% single bond at 4 - \putratom{953}{271}{\@memberb}% right type - \fi\fi}% -\def\@chairic{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10 - \yl@ydiff=92 - \put(673,-46){\line(1,-1){120}}% single bond at 3 - \putratom{803}{-258}{\@memberb}% right type - \else\if\@tmpc a%(a) axial - \yl@xdiff=40 - \yl@ydiff=110 - \put(673,-46){\line(0,-1){168}}% single bond at 3 axial - \putlratom{633}{-318}{\@memberb}% left & right type - \else\if\@tmpc e%(e) beta - \yl@xdiff=-6 - \yl@ydiff=17 - \put(673,-46){\line(5,3){144}}% single bond at 3 equatorial - \putratom{823}{23}{\@memberb}% right type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=-5 - \yl@ydiff=96 - \put(663,-53){\line(1,-1){120}}% double bond at 3 - \put(683,-38){\line(1,-1){120}}% double bond at 3 - \putratom{803}{-258}{\@memberb}% right type - \else% - \yl@xdiff=-10 - \yl@ydiff=76 - \put(673,-46){\line(5,-4){170}}% single bond at 3 - \putratom{853}{-258}{\@memberb}% right type - \fi\fi}% -\def\@chairib{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=0 - \yl@ydiff=46 - \put(270,90){\line(-5,4){170}}% single bond at 2 - \putlatom{100}{180}{\@memberb}% left type - \else\if\@tmpc a%(a) axial - \yl@xdiff=32 - \yl@ydiff=-12 - \put(270,90){\line(0,1){168}}% single bond at 2 axial - \putlratom{238}{270}{\@memberb}% left type - \else\if\@tmpc e%(e) beta - \yl@xdiff=26 - \yl@ydiff=94 - \put(270,90){\line(-5,-3){144}}% single bond at 2 equatorial - \putratom{100}{-98}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=0 - \yl@ydiff=26 - \put(260,80){\line(-5,4){170}}% double bond at 2 - \put(280,100){\line(-5,4){170}}% double bond at 2 - \putlatom{100}{200}{\@memberb}% left or right type - \else% - \yl@xdiff=0 - \yl@ydiff=26 - \put(270,90){\line(-5,4){170}}% single bond at 2 - \putlatom{100}{200}{\@memberb}% left type - \fi\fi}% -\def\chairi{\@ifnextchar[{\@chairi}{\@chairi[r]}} -\def\@chairi[#1]#2{% -\@reset@ylsw% -\ylchairiposition{#2}% -\def\@@ylii{0}\def\@@yli{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) -\else - \begin{picture}(1600,800)(-400,-319) - \iforigpt \put(-400,-319){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `chairi' origin: (0,0) ---> (400,319)} - \fi% -\fi - \thinlines% - \put(0,0){\line(3,4){170}}% % bond 1 to 6 - \put(170,226){\line(3,-1){403}}% % 6 to 5 - \put(573,91){\line(3,1){270}}% % 5 to 4 - \thicklines% - \put(843,181){\line(-3,-4){170}}% % 4 to 3 - \put(673,-46){\line(-3,1){403}}% % 3 to 2 - \put(0,0){\line(3,1){270}}% % 1 to 2 - \thinlines% -\@tfor\member:=#1\do{% -\if\member r%no endcyclic bonds -\else \if\member c%%%a% - \put(767,139){\line(-3,-4){110}}% % double bond 3 to 4 -\else \if\member b%%%d%%%b% - \put(640,-5){\line(-3,1){343}}% % 4 to 5 -\else \if\member a%%%e%%%%c% - \put(240,111){\line(-3,-1){190}}% % 5 to 6 -\else \if\member f%%%d% - \put(63,40){\line(3,4){110}}% % 6 to 7 -\else \if\member e%%%l% - \put(182,187){\line(3,-1){343}}% % 7 to 10 -\else \if\member d%%%k%%%f% - \put(768,131){\line(-3,-1){170}}% % 10 to 3 -\fi\fi\fi\fi\fi\fi\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa%0 omit - \or \@chairia% subst. on 1 - \or \@chairib% subst. on 2 - \or \@chairic% subst. on 3 - \or \@chairid% subst. on 4 - \or \@chairie% subst. on 5 - \or \@chairif% subst. on 6 -\fi %end of ifcase -\fi\fi% -}\end{picture}}% %end of \chairi macro -\def\ylchairiposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa%0 omit - \or\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1 - \or\gdef\@ylii{-270}\gdef\@yli{-90}\global\@ylswtrue% subst. on 2 - \or\gdef\@ylii{-673}\gdef\@yli{46}\global\@ylswtrue% subst. on 3 - \or\gdef\@ylii{-843}\gdef\@yli{-181}\global\@ylswtrue% subst. on 4 - \or\gdef\@ylii{-573}\gdef\@yli{-91}\global\@ylswtrue% subst. on 5 - \or\gdef\@ylii{-170}\gdef\@yli{-226}\global\@ylswtrue% subst. on 6 -\fi%end of ifcase -\fi\fi\fi}}% -\def\bicychepv{\@ifnextchar[{\@bicychepv}{\@bicychepv[r]}} -\def\@bicychepv[#1]#2{% -\@reset@ylsw% -\ylposition{#2}{0}{0}{7}{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) -\else - \begin{picture}(800,880)(-400,-240) - \iforigpt \put(-400,-240){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `bicychepv' origin: (0,0) ---> (400,240)} -\fi - \fi% - \put(0,406){\line(-5,-3){171}}% %bond 1-6 - \put(0,406){\line(5,-3){171}}% %bond 1-2 - \put(0,0){\line(-5,3){171}}% %bond 4-5 - \put(0,0){\line(5,3){171}}% %bond 4-3 - \put(171,103){\line(0,1){200}}% %bond 3-2 - \put(-171,103){\line(0,1){200}}% %bond 5-6 -{\thicklines% - \put(0,0){\line(1,4){51}}% %bond 4-7 - \put(0,406){\line(1,-4){51}}}% %bond 1-7 -\@tfor\member:=#1\do{% -\if\member r%no endcyclic double bonds -\else \if\member a% - \put(6,364){\line(5,-3){126}}% %double bond 1-2 -\else \if\member b% - \put(138,129){\line(0,1){148}}% %double bond 3-2 -\else \if\member c% - \put(6,42){\line(5,3){126}}% %double bond 4-3 -\else \if\member d% - \put(-6,42){\line(-5,3){126}}% %double bond 4-5 -\else \if\member e% - \put(-138,129){\line(0,1){148}}% %double bond 5-6 -\else \if\member f% - \put(-6,364){\line(-5,-3){126}}% %double bond 1-6 -\else \if\member 7% - {\thicklines% - \put(51,204){\line(-1,0){70}}% %7,7-dimethyl - \put(51,204){\line(1,0){70}}}% -\else \if\member A%aromatic circle - \put(0,203){\circle{240}}% %circle -\fi\fi\fi\fi\fi\fi\fi\fi\fi}% -\setsixringv{#2}{0}{0}{7}{0} -\end{picture}} %end of \bicychepv macro -\def\bicycheph{\@ifnextchar[{\@bicycheph}{\@bicycheph[r]}} -\def\@bicycheph[#1]#2{% -\@reset@ylsw% -\ylpositionh{#2}{0}{0}{7}{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) -\else - \begin{picture}(880,800)(-240,-400) - \iforigpt \put(-240,-400){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `bicycheph' origin: (0,0) ---> (240,400)} - \fi% -\fi - \put(0,0){\line(3,5){103}} %bond 1-2 - \put(0,0){\line(3,-5){103}} %bond 1-6 - \put(406,0){\line(-3,5){103}} %bond 4-3 - \put(406,0){\line(-3,-5){103}} %bond 4-3 - \put(103,171){\line(1,0){200}} %bond 2-3 - \put(103,-171){\line(1,0){200}} %bond 6-5 -{\thicklines% - \put(0,0){\line(4,1){203}}% %bond 4-7 - \put(406,0){\line(-4,1){203}}}% %bond 1-7 -\@tfor\member:=#1\do{% -\if\member r%no endcyclic double bonds -\else \if\member a% - \put(42,6){\line(3,5){78}} %double bond 1-2 -\else \if\member b% - \put(129,138){\line(1,0){148}} %double bond 2-3 -\else \if\member c% - \put(364,6){\line(-3,5){78}} %double bond 4-3 -\else \if\member d% - \put(364,-6){\line(-3,-5){78}} %double bond 4-5 -\else \if\member e% - \put(129,-138){\line(1,0){148}} %double bond 6-5 -\else \if\member f% - \put(42,-6){\line(3,-5){78}} %double bond 1-6 -\else \if\member 7% - {\thicklines% - \put(204,51){\line(0,-1){70}}% %7,7-dimethyl - \put(204,51){\line(0,1){70}}}% -\else \if\member A%aromatic circle - \put(203,0){\circle{240}} %circle -\fi\fi\fi\fi\fi\fi\fi\fi\fi} -\setsixringh{#2}{0}{0}{7}{0} -\end{picture}} %end of \bicycheph macro -\def\@borna{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=8 - \yl@ydiff=3 - \put(318,247){\line(2,5){40}}% % single bond 1 - \putratom{350}{350}{\@memberb}% % right type - \else\if\@tmpc a%(a) alpha - \yl@xdiff=8 - \yl@ydiff=3 - \put(318,247){\line(2,5){40}}% % single bond 1 - \putratom{350}{350}{\@memberb}% % right type - \else\if\@tmpc b%(b) beta - \yl@xdiff=8 - \yl@ydiff=3 - \put(318,247){\line(2,5){40}}% % single bond 1 - \putratom{350}{350}{\@memberb}% % right type - \fi\fi\fi% - \else% - \yl@xdiff=8 - \yl@ydiff=3 - \put(318,247){\line(2,5){40}}% % single bond 1 - \putratom{350}{350}{\@memberb} % right type - \fi}% -\def\@bornb{% - \begin{picture}(200,200)(0,0) - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10 - \yl@ydiff=20 - \put(0,0){\line(5,2){160}}% - \putratom{170}{44}{\@memberb}% % left type - \else\if\@tmpc A%(A) alpha - \yl@xdiff=0 - \yl@ydiff=-5 - \putratom{140}{115}{\@memberb}% % right type - {% - \thicklines% - \put(0,0){\line(4,3){140}}% % endo (a) - }% - \else\if\@tmpc B%(B) beta - \yl@xdiff=10 - \yl@ydiff=30 - \putratom{150}{-86}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(0,0){\line(5,-2){140}}% % exo (b) - }{{\thicklines% - \dottedline{20}(0,0)(140,-56)}}% - \else\if\@tmpc a%(a) alpha - \yl@xdiff=10 - \yl@ydiff=30 - \put(0,0){\line(5,-2){140}}% % endo (a) - \putratom{150}{-86}{\@memberb}% % right type - \else\if\@tmpc b%(b) beta - \yl@xdiff=0 - \yl@ydiff=-10 - \put(0,0){\line(4,3){140}}% % exo (b) - \putratom{140}{115}{\@memberb}% % right type - \fi\fi\fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=-10 - \yl@ydiff=20 - \put(-10,-15){\line(5,2){160}}% - \put(-5,15){\line(5,2){160}}% - \putratom{170}{44}{\@memberb}% % right type - \else \if\@tmpb A%alpha single bond - \yl@xdiff=-10 - \yl@ydiff=20 - \putratom{170}{44}{\@memberb}% % right type - {% - \thicklines% - \put(0,0){\line(5,2){160}}% - }% - \else \if\@tmpb B%beta single bond - \yl@xdiff=-10 - \yl@ydiff=20 - \putratom{170}{44}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(0,0){\line(5,2){160}}% - }{{\thicklines% - \dottedline{20}(0,0)(160,64)}}% - \else% - \yl@xdiff=-10 - \yl@ydiff=20 - \put(0,0){\line(5,2){160}}% - \putratom{170}{44}{\@memberb}% % right type - \fi\fi\fi\fi\end{picture}}% -\def\@bornc{% - \begin{picture}(200,200)(0,0) - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10 - \yl@ydiff=30 - \put(0,0){\line(5,-2){140}}% - \putratom{150}{-86}{\@memberb}% % right type - \else\if\@tmpc A%(A) alpha - \yl@xdiff=-10 - \yl@ydiff=30 - \putratom{150}{26}{\@memberb}% % right type - {% - \thicklines% - \put(0,0){\line(5,2){140}}% % endo (a) - }% - \else\if\@tmpc B%(B) beta - \yl@xdiff=0 - \yl@ydiff=40 - \putratom{140}{-145}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(0,0){\line(4,-3){140}}% % exo (b) - }{{\thicklines% - \dottedline{20}(0,0)(140,-105)}}% - \else\if\@tmpc a%(a) alpha - \yl@xdiff=0 - \yl@ydiff=40 - \put(0,0){\line(4,-3){140}}% % endo (a) - \putratom{140}{-145}{\@memberb}% % right type - \else\if\@tmpc b%(b) beta - \yl@xdiff=-10 - \yl@ydiff=30 - \put(0,0){\line(5,2){140}}% % exo (b) - \putratom{150}{26}{\@memberb}% % right type - \fi\fi\fi\fi\fi - \else \if\@tmpb D%double bond - \yl@xdiff=10 - \yl@ydiff=50 - \put(10,15){\line(5,-2){160}}% - \put(5,-15){\line(5,-2){160}}% - \putratom{170}{-124}{\@memberb}% % right type - \else \if\@tmpb A%alpha single bond - \yl@xdiff=-10 - \yl@ydiff=30 - \putratom{150}{-86}{\@memberb}% % right type - {% - \thicklines% - \put(0,0){\line(5,-2){140}}% % endo (a) - }% - \else \if\@tmpb B%beta single bond - \yl@xdiff=-10 - \yl@ydiff=30 - \putratom{150}{-86}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(0,0){\line(5,-2){140}}% % exo (b) - }{{\thicklines% - \dottedline{20}(0,0)(140,-56)}}% - \else% - \yl@xdiff=-10 - \yl@ydiff=20 - \put(0,0){\line(5,2){160}}% - \putratom{170}{44}{\@memberb}% % right type - \fi\fi\fi\fi% -\end{picture}}% -\def\@bornd{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=30 - \yl@ydiff=87 - \put(237,47){\line(-2,-5){40}}% % single bond 4 - \putlratom{167}{-140}{\@memberb}% % left & right type - \else\if\@tmpc a%(a) alpha - \yl@xdiff=30 - \yl@ydiff=87 - \put(237,47){\line(-2,-5){40}}% % single bond 4 - \putlratom{167}{-140}{\@memberb}% % left & right type - \else\if\@tmpc b%(b) beta - \yl@xdiff=30 - \yl@ydiff=87 - \put(237,47){\line(-2,-5){40}}% % single bond 4 - \putlratom{167}{-140}{\@memberb}% % left & right type - \fi\fi\fi% - \else% - \yl@xdiff=30 - \yl@ydiff=87 - \put(237,47){\line(-2,-5){40}}% % single bond 4 - \putlratom{167}{-140}{\@memberb}% % left & right type - \fi}% -\def\@borne{% - \begin{picture}(200,200)(0,0) - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10 - \yl@ydiff=30 - \put(0,0){\line(-5,-2){140}}% - \putlatom{-150}{-86}{\@memberb}% % left type - \else\if\@tmpc A%(A) alpha - \yl@xdiff=10 - \yl@ydiff=30 - \putlatom{-150}{26}{\@memberb}% % left type - {% - \thicklines% - \put(0,0){\line(-5,2){140}}% % endo (a) - }% - \else\if\@tmpc B%(B) beta - \yl@xdiff=0 - \yl@ydiff=40 - \putlatom{-140}{-145}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(0,0){\line(-4,-3){140}}% % exo (b) - }{{\thicklines% - \dottedline{20}(0,0)(-140,-105)}}% - \else\if\@tmpc a%(a) alpha - \yl@xdiff=0 - \yl@ydiff=30 - \put(0,0){\line(-4,-3){140}}% % endo (a) - \putlatom{-140}{-145}{\@memberb}% % left type - \else\if\@tmpc b%(b) beta - \yl@xdiff=10 - \yl@ydiff=30 - \put(0,0){\line(-5,2){140}}% % exo (b) - \putlatom{-150}{26}{\@memberb}% % left type - \fi\fi\fi\fi\fi - \else \if\@tmpb D%double bond - \yl@xdiff=0 - \yl@ydiff=64 - \put(-10,15){\line(-5,-2){160}}% - \put(-5,-15){\line(-5,-2){160}}% - \putlatom{-170}{-124}{\@memberb}% % left type - \else \if\@tmpb A%alpha single bond - \yl@xdiff=10 - \yl@ydiff=30 - \putlatom{-150}{-86}{\@memberb}% % left type - {% - \thicklines% - \put(0,0){\line(-5,-2){140}}% % endo (a) - }% - \else \if\@tmpb B%beta single bond - \yl@xdiff=10 - \yl@ydiff=30 - \putlatom{-150}{-86}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(0,0){\line(-5,-2){140}}% % exo (b) - }{{\thicklines% - \dottedline{20}(0,0)(-140,-56)}}% - \else% - \yl@xdiff=10 - \yl@ydiff=20 - \put(0,0){\line(-5,2){160}}% - \putlatom{-170}{44}{\@memberb}% % left type - \fi\fi\fi\fi% -\end{picture}}% -\def\@bornf{% - \begin{picture}(200,200)(0,0) - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10 - \yl@ydiff=30 - \put(0,0){\line(-5,2){160}}% - \putlatom{-170}{44}{\@memberb}% % left type - \else\if\@tmpc A%(A) alpha - \yl@xdiff=10 - \yl@ydiff=-10 - \putlatom{-140}{115}{\@memberb}% % left type - {% - \thicklines% - \put(0,0){\line(-4,3){140}}% % endo (a) - }% - \else\if\@tmpc B%(B) beta - \yl@xdiff=0 - \yl@ydiff=30 - \putlatom{-150}{-86}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(0,0){\line(-5,-2){140}}% % exo (b) - }{{\thicklines% - \dottedline{20}(0,0)(-140,-56)}}% - \else\if\@tmpc a%(a) alpha - \yl@xdiff=10 - \yl@ydiff=30 - \put(0,0){\line(-5,-2){140}}% % endo (a) - \putlatom{-150}{-86}{\@memberb}% % left type - \else\if\@tmpc b%(b) beta - \yl@xdiff=0 - \yl@ydiff=-10 - \put(0,0){\line(-4,3){140}}% % exo (b) - \putlatom{-140}{115}{\@memberb}% % left type - \fi\fi\fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=0 - \yl@ydiff=20 - \put(10,-15){\line(-5,2){160}}% - \put(5,15){\line(-5,2){160}}% - \putlatom{-170}{44}{\@memberb}% % left type - \else \if\@tmpb A%alpha single bond - \yl@xdiff=10 - \yl@ydiff=30 - \putlatom{-170}{44}{\@memberb}% % left type - {% - \thicklines% - \put(0,0){\line(-5,2){160}}% - }% - \else \if\@tmpb B%beta single bond - \yl@xdiff=10 - \yl@ydiff=30 - \putlatom{-170}{44}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(0,0){\line(-5,2){160}}% - }{{\thicklines% - \dottedline{20}(0,0)(-160,64)}}% - \else% - \yl@xdiff=10 - \yl@ydiff=20 - \put(0,0){\line(-5,2){160}}% - \putlatom{-170}{44}{\@memberb}% % left type - \fi\fi\fi\fi\end{picture}}% -\def\@borng{% - \begin{picture}(200,200)(0,0) - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=40 - \yl@ydiff=-20 - \put(0,0){\line(0,1){160}}% - \putlratom{-40}{180}{\@memberb}% % left & right type - \else\if\@tmpc a%(a) left - \yl@xdiff=0 - \yl@ydiff=-10 - \put(0,0){\line(-4,3){140}}% % left (a) - \putlatom{-140}{115}{\@memberb}% % left type - \else\if\@tmpc b%(b) right - \yl@xdiff=0 - \yl@ydiff=-10 - \put(0,0){\line(4,3){140}}% % right (b) - \putratom{140}{115}{\@memberb}% % right type - \fi\fi\fi%\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=40 - \yl@ydiff=-20 - \put(-10,0){\line(0,1){160}}% - \put(10,0){\line(0,1){160}}% - \putlratom{-40}{180}{\@memberb}% % left & right type - \else% - \yl@xdiff=40 - \yl@ydiff=-20 - \put(0,0){\line(0,1){160}}% - \putlratom{-40}{180}{\@memberb}% % left & right type - \fi\fi\end{picture}}% - -\def\bornane{\@ifnextchar[{\@bornane}{\@bornane[r]}} -\def\@bornane[#1]#2{% -\@reset@ylsw% -\ylbornaneposition{#2}% -\def\@@ylii{0}\def\@@yli{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) -\else - \begin{picture}(1000,1000)(-200,-240)%changed by SF 1998/09/26 - \iforigpt \put(-200,-240){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `bornane' origin: (0,0) ---> (200,240)} - \fi% -\fi - \thicklines% - \put(0,0){\line(5,1){237}}% % bond 5 to 4 (d) - \put(237,47){\line(5,-2){225}}% % bond 4 to 3 (c) - \put(237,47){\line(0,1){400}}% % front part of bridge (h) - \thinlines% - \put(462,-43){\line(2,5){80}}% % bond 3 to 2 (b) - \put(543,157){\line(-5,2){225}}% % bond 2 to 1 (a) - \put(318,247){\line(-5,-1){237}}% % bond 1 to 6 (f) - \put(80,200){\line(-2,-5){80}}% % bond 6 to 5 (e) - \put(318,247){\line(-2,5){80}}% % back part of bridge (g) -\@tfor\member:=#1\do{% -\if\member r%no endcyclic bonds -\else \if\member a%%%% - \put(513,127){\line(-5,2){180}}% % bond 2 to 1 -\else \if\member b%%%% - \put(446,-3){\line(2,5){60}}% % bond 3 to 2 -\else \if\member c%%%% - \put(267,77){\line(5,-2){180}}% % bond 4 to 3 -\else \if\member d%%%% - \put(40,42){\line(5,1){180}}% % double bond 5 to 4 -\else \if\member e%%% - \put(100,180){\line(-2,-5){60}}% % bond 6 to 5 -\else \if\member f% - \put(288,207){\line(-5,-1){180}}% % bond 1 to 6 -\else \if\member g% - \put(288,260){\line(-2,5){40}}% % back part of bridge (g) -\else \if\member h% - \put(257,77){\line(0,1){290}}% % front part of bridge (h) -\fi\fi\fi\fi\fi\fi\fi\fi\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa%0 omit - \or \@borna% subst. on 1 - \or \put(543,157){\@bornb}% subst. on 2 - \or \put(462,-43){\@bornc}% subst. on 3 - \or \@bornd% subst. on 4 - \or \put(0,0){\@borne}% subst. on 5 - \or \put(80,200){\@bornf}% subst. on 6 - \or \put(237,440){\@borng}% subst. on 7 -\fi%end of ifcase -\fi\fi% -}\end{picture}\iniatom\iniflag} %end of \bornane macro -\def\ylbornaneposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa%0 omit - \or\gdef\@ylii{-318}\gdef\@yli{-247}\global\@ylswtrue% subst. on 1 - \or\gdef\@ylii{-543}\gdef\@yli{-157}\global\@ylswtrue% subst. on 2 - \or\gdef\@ylii{-462}\gdef\@yli{43}\global\@ylswtrue% subst. on 3 - \or\gdef\@ylii{-237}\gdef\@yli{-47}\global\@ylswtrue% subst. on 4 - \or\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 5 - \or\gdef\@ylii{-80}\gdef\@yli{-200}\global\@ylswtrue% subst. on 6 - \or\gdef\@ylii{-237}\gdef\@yli{-440}\global\@ylswtrue% subst. on 7 -\fi%end of ifcase -\fi\fi\fi}}% -\def\@adamanea{% - \yl@xdiff=12 - \yl@ydiff=21 - \put(-360,720){\hbox to0pt{\hss \@memberb}}% %atom 1 - \if\@tmpb a% - \put(-240,660){\line(-4,3){108}}% %bond 1 - \else \ifx\@tmpb\empty% - \put(-240,660){\line(-4,3){108}}% %bond 1 - \fi\fi}% -\def\@adamaneb{% - \if\@tmpb a% - \yl@xdiff=6 - \yl@ydiff=-16 - \put(0,780){\line(1,4){26}}% %bond 2-ax - \put(20,900){\hbox to0pt{\@memberb \hss}}% %atom 2-ax - \else \if\@tmpb b% - \yl@xdiff=-6 - \yl@ydiff=-16 - \put(0,780){\line(-1,4){26}}% %bond 2-eq - \put(-20,900){\hbox to0pt{\hss \@memberb}}% %atom 2-eq - \else \ifx\@tmpb\empty% - \yl@xdiff=42 - \yl@ydiff=-22 - \put(-42,910){\hbox to0pt{\hss \@memberb}}% %atom 2 - \put(0,780){\line(0,1){108}}% %bond 2 - \else \if\@tmpb D% - \yl@xdiff=42 - \yl@ydiff=-22 - \putlratom{-42}{910}{\@memberb}% %atom 2 - \put(-12,780){\line(0,1){108}}% %double bond 2 - \put(12,780){\line(0,1){108}}% %double bond 2 - \fi\fi\fi\fi} -\def\@adamanec{% - \yl@xdiff=-12 - \yl@ydiff=21 - \put(360,720){\hbox to0pt{\@memberb \hss}}% %atom 3 - \if\@tmpb a%1998/10/24 by SF - \put(240,660){\line(4,3){108}}% %bond 3 - \else \ifx\@tmpb\empty% - \put(240,660){\line(4,3){108}}% %bond 3 - \fi\fi} -\def\@adamaned{% - \if\@tmpb a% - \yl@xdiff=-17 - \yl@ydiff=33 - \put(300,420){\line(4,-3){103}}% %bond 4-ax - \put(420,310){\hbox to0pt{\@memberb \hss}}% %atom 4-ax - \else \if\@tmpb b% - \yl@xdiff=26 - \yl@ydiff=-26 - \put(300,420){\line(1,4){26}}% %bond 4-eq - \put(300,540){\hbox to0pt{\@memberb \hss}}% %atom 4-eq - \else \ifx\@tmpb\empty% - \yl@xdiff=-17 - \yl@ydiff=33 - \put(300,420){\line(4,-3){103}}% %bond 4 - \put(420,310){\hbox to0pt{\@memberb \hss}}% %atom 4 - \else \if\@tmpb D% - \yl@xdiff=-17 - \yl@ydiff=33 - \put(296,432){\line(5,-3){103}}% %double bond 4 - \put(292,408){\line(5,-3){103}}% %double bond 4 - \put(420,310){\hbox to0pt{\@memberb \hss}}% %atom 4 - \fi\fi\fi\fi} -\def\@adamanee{% - \yl@xdiff=20 - \yl@ydiff=110 - \if\@tmpb a%1998/10/24 by SF - \put(60,240){\line(1,-5){30}}% %bond 5 - \put(70,-20){\hbox to0pt{\@memberb \hss}}% %atom 5 - \else \ifx\@tmpb\empty% - \put(60,240){\line(1,-5){30}}% %bond 5 - \put(70,-20){\hbox to0pt{\@memberb \hss}}% %atom 5 - \fi\fi} -\def\@adamanef{% - \if\@tmpb a% - \yl@xdiff=33 - \yl@ydiff=103 - \put(0,0){\line(4,-3){103}}% %bond 6-ax - \put(70,-180){\hbox to0pt{\@memberb \hss}}% %atom 6-ax - \else \if\@tmpb b% - \yl@xdiff=-33 - \yl@ydiff=103 - \put(0,0){\line(-4,-3){103}}% %bond 6-eq - \put(-70,-180){\hbox to0pt{\hss \@memberb}}% %atom 6-eq - \else \ifx\@tmpb\empty% - \yl@xdiff=22 - \yl@ydiff=94 - \put(0,0){\line(0,-1){108}}% %bond 6 - \put(-22,-202){\hbox to0pt{\hss \@memberb}}% %atom 6 - \else \if\@tmpb D% - \yl@xdiff=42 - \yl@ydiff=94 - \put(-12,0){\line(0,-1){108}}% %double bond 6 - \put(12,0){\line(0,-1){108}}% %double bond 6 - \putlratom{-42}{-202}{\@memberb}% %atom 6 - \fi\fi\fi\fi} -\def\@adamaneg{% - \yl@xdiff=-20 - \yl@ydiff=110 - \if\@tmpb a%1998/10/24 by SF - \put(-60,240){\line(-1,-5){30}}% %bond 7 - \put(-70,-20){\hbox to0pt{\hss \@memberb}}% %atom 7 - \else \ifx\@tmpb\empty% - \put(-60,240){\line(-1,-5){30}}% %bond 7 - \put(-70,-20){\hbox to0pt{\hss \@memberb}}% %atom 7-eq - \fi\fi} -\def\@adamaneh{% - \if\@tmpb a% - \yl@xdiff=17 - \yl@ydiff=33 - \put(-300,420){\line(-4,-3){103}}% %bond 8-ax - \put(-420,310){\hbox to0pt{\hss \@memberb}}% %atom 8-ax - \else \if\@tmpb b% - \yl@xdiff=-26 - \yl@ydiff=-16 - \put(-300,420){\line(-1,4){26}}% %bond 8-eq - \put(-300,540){\hbox to0pt{\hss \@memberb}}% %atom 8-eq - \else \ifx\@tmpb\empty% - \yl@xdiff=17 - \yl@ydiff=33 - \put(-300,420){\line(-4,-3){103}}% %bond 8 - \put(-420,310){\hbox to0pt{\hss \@memberb}}% %atom 8 - \else \if\@tmpb D% - \yl@xdiff=17 - \yl@ydiff=50 - \put(-300,432){\line(-5,-3){103}}% %double bond 8 - \put(-303,408){\line(-5,-3){103}}% %double bond 8 - \put(-420,310){\hbox to0pt{\hss \@memberb}}% %atom 8 - \fi\fi\fi\fi} -\def\@adamanei{% - \if\@tmpb a% - \yl@xdiff=-43 - \yl@ydiff=93 - \put(-180,420){\line(-4,-3){103}}% %bond 9-ax - \put(-240,250){\hbox to0pt{\hss \@memberb}}% %atom 9-ax - \else \if\@tmpb b% - \yl@xdiff=26 - \yl@ydiff=-16 - \put(-180,420){\line(1,4){26}}% %bond 9-eq - \put(-180,540){\hbox to0pt{\@memberb \hss}}% %atom 9-eq - \else \ifx\@tmpb\empty% - \yl@xdiff=17 - \yl@ydiff=93 - \put(-180,420){\line(-4,-3){103}}% %bond 9 - \put(-300,250){\hbox to0pt{\hss \@memberb}}% %atom 9 - \else \if\@tmpb D% - \yl@xdiff=17 - \yl@ydiff=113 - \put(-183,432){\line(-5,-3){103}}% %double bond 9 - \put(-180,408){\line(-5,-3){103}}% %double bond 9 - \put(-300,250){\hbox to0pt{\hss \@memberb}}% %atom 9 - \fi\fi\fi\fi} -\def\@adamanej{% - \if\@tmpb a% - \yl@xdiff=43 - \yl@ydiff=92 - \put(180,420){\line(4,-3){103}}% %bond 10-ax - \put(240,250){\hbox to0pt{\@memberb \hss}}% %atom 10-ax - \else \if\@tmpb b% - \yl@xdiff=-26 - \yl@ydiff=-16 - \put(180,420){\line(-1,4){26}}% %bond 10-eq - \put(180,540){\hbox to0pt{\hss \@memberb}}% %atom 10-eq - \else \ifx\@tmpb\empty% - \yl@xdiff=43 - \yl@ydiff=92 - \put(180,420){\line(4,-3){103}}% %bond 10 - \put(240,250){\hbox to0pt{\@memberb \hss}}% %atom 10 - \else \if\@tmpb D% - \yl@xdiff=3 - \yl@ydiff=112 - \put(176,432){\line(5,-3){103}}% %double bond 10 - \put(172,408){\line(5,-3){103}}% %double bond 10 - \put(280,250){\hbox to0pt{\@memberb \hss}}% %atom 10 - \fi\fi\fi\fi} -\def\adamantane{\@ifnextchar[{\@mantane}{\@damantane[Z]}} -\def\@damantane[#1]#2{% -\@reset@ylsw% -\yladamanposition{#2}% -\def\@@ylii{0}\def\@@yli{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) -\else - \begin{picture}(1100,1300)(-550,-300) - \iforigpt \put(-550,-300){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `adamantane' origin: (0,0) ---> (550,300)} - \fi% -\fi - \put(0,0){\line(-1,4){60}}% %bond 6-7 - \put(0,780){\line(2,-1){240}}% %bond 2-3 - \put(0,780){\line(-2,-1){240}}% %bond 2-1 - \put(-60,240){\line(-4,3){240}}% %bond 7-8 - \put(-300,420){\line(1,4){60}}% %bond 8-1 - \put(240,660){\line(-1,-4){60}}% %bond 3-10 - \put(-60,240){\line(4,3){240}}% %bond 10-7 -{\thicklines% - \put(300,420){\line(-1,4){60}}% %bond 4-3 - \put(-240,660){\line(1,-4){60}}% %bond 1-9 - \put(0,0){\line(1,4){60}}% %bond 6-5 - \put(60,240){\line(4,3){240}}% %bond 5-4 - \put(60,240){\line(-4,3){240}}% %bond 5-9 -}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}\relax% -\ifx\@memberb\@yl\else -\ifcase\@tmpa%0 omit -\or\@adamanea% subst. on 1 -\or\@adamaneb% subst. on 2 -\or\@adamanec% subst. on 3 -\or\@adamaned% subst. on 4 -\or\@adamanee% subst. on 5 -\or\@adamanef% subst. on 6 -\or\@adamaneg% subst. on 7 -\or\@adamaneh% subst. on 8 -\or\@adamanei% subst. on 9 -\or\@adamanej% subst. on 10 -\fi%the end of ifcase -\fi\fi}% -\end{picture}} %end of \adamantane macro% -\def\yladamanposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa%0 omit - \or\gdef\@ylii{240}\gdef\@yli{-660}\global\@ylswtrue% subst. on 1 - \or\gdef\@ylii{0}\gdef\@yli{-780}\global\@ylswtrue% subst. on 2 - \or\gdef\@ylii{-240}\gdef\@yli{-660}\global\@ylswtrue% subst. on 3 - \or\gdef\@ylii{-300}\gdef\@yli{-420}\global\@ylswtrue% subst. on 4 - \or\gdef\@ylii{-60}\gdef\@yli{-240}\global\@ylswtrue% subst. on 5 - \or\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 6 - \or\gdef\@ylii{60}\gdef\@yli{-240}\global\@ylswtrue% subst. on 7 - \or\gdef\@ylii{300}\gdef\@yli{-420}\global\@ylswtrue% subst. on 8 - \or\gdef\@ylii{180}\gdef\@yli{-420}\global\@ylswtrue% subst. on 9 - \or\gdef\@ylii{-180}\gdef\@yli{-420}\global\@ylswtrue% subst. on 10 -\fi%end of ifcase -\fi\fi\fi}}% -\def\hadamantane{\@ifnextchar[{\@hadamantane}{\@hadamantane[H]}} -\def\@hadamantane[#1]#2{% -\@reset@ylsw% -\ylhadamanposition{#2}% -\def\@@ylii{0}\def\@@yli{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) -\else - \begin{picture}(1600,1400)(-400,-319) - \iforigpt \put(-400,-319){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `hadamantane' origin: (0,0) ---> (400,319)} - \fi% -\fi - \thinlines% - \put(0,0){\line(3,4){170}}% % bond 6 to 7 - \put(170,226){\line(3,-1){403}}% % 7 to 10 - \put(573,91){\line(3,1){270}}% % 10 to 3 - \put(170,226){\line(0,1){360}}% % 7 to 8 - \put(170,586){\line(3,1){270}}% % 8 to 1 - \put(843,181){\line(0,1){360}}% % 3 to 2 - \put(843,541){\line(-3,1){403}}% % 2 to 1 - \thicklines% - \put(843,181){\line(-3,-4){170}}% % 3 to 4 - \put(673,-46){\line(-3,1){403}}% % 4 to 5 - \put(0,0){\line(3,1){270}}% % 6 to 5 - \put(270,90){\line(0,1){360}}% % 5 to 9 - \put(270,450){\line(3,4){170}}% % 9 to 1 - \thinlines% -\@tfor\member:=#1\do{% -\if\member r%no endocyclic bonds -\else \if\member a% - \put(450,636){\line(3,-1){373}}% % double bond 1 to 2 -\else \if\member b% - \put(803,206){\line(0,1){320}}% % 3 to 2 -\else \if\member c%%%a% - \put(767,139){\line(-3,-4){110}}% % 3 to 4 -\else \if\member d%%%b% - \put(640,-5){\line(-3,1){343}}% % 4 to 5 -\else \if\member e%%%%c% - \put(240,111){\line(-3,-1){190}}% % 5 to 6 -\else \if\member f%%%d% - \put(63,40){\line(3,4){110}}% % 6 to 7 -\else \if\member g% - \put(200,246){\line(0,1){320}}% % 7 to 8 -\else \if\member h% - \put(400,626){\line(-3,-1){190}}% % 8 to 1 -\else \if\member i% - \put(450,636){\line(-3,-4){150}}% % 9 to 1 -\else \if\member j% - \put(300,110){\line(0,1){320}}% % 5 to 9 -\else \if\member k%%%f% - \put(768,131){\line(-3,-1){170}}% % 3 to 10 -\else \if\member l% - \put(182,187){\line(3,-1){343}}% % 7 to 10 -\fi\fi\fi\fi\fi\fi% -\fi\fi\fi\fi\fi\fi\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa% %0 omit - \or \put(440,676){\@chairiI}% %subst. on 1%%%9 - \or \put(843,541){\@chairiII}% %subst. on 2%%10 - \or \@chairiIII% %subst. on 3%%%4 - \or \@chairiIV% %subst. on 4%%%3 - \or \@chairiV% %subst. on 5%%%2 - \or \@chairiVI% %subst. on 6%%%1 - \or \@chairiVII% %subst. on 7%%%6 - \or \put(170,586){\@chairiVIII}%subst. on 8%%%8 - \or \put(270,450){\@chairiIX}% %subst. on 9%%%7 - \or \@chairiX% %subst. on 10%%5 -\fi %end of ifcase -\fi\fi% -}\end{picture}}% %end of \hadamantane macro -\def\ylhadamanposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa%0 omit - \or\gdef\@ylii{-440}\gdef\@yli{-676}\global\@ylswtrue% subst. on 1 - \or\gdef\@ylii{-843}\gdef\@yli{-541}\global\@ylswtrue% subst. on 2 - \or\gdef\@ylii{-843}\gdef\@yli{-181}\global\@ylswtrue% subst. on 3 - \or\gdef\@ylii{-673}\gdef\@yli{46}\global\@ylswtrue% subst. on 4 - \or\gdef\@ylii{-270}\gdef\@yli{-90}\global\@ylswtrue% subst. on 5 - \or\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 6 - \or\gdef\@ylii{-170}\gdef\@yli{-226}\global\@ylswtrue% subst. on 7 - \or\gdef\@ylii{-170}\gdef\@yli{-586}\global\@ylswtrue% subst. on 8 - \or\gdef\@ylii{-270}\gdef\@yli{-450}\global\@ylswtrue% subst. on 9 - \or\gdef\@ylii{-573}\gdef\@yli{-91}\global\@ylswtrue% subst. on 10 -\fi%end of ifcase -\fi\fi\fi}}% -\def\@chairiVI{% - \if\@tmpb a%single bond - \yl@xdiff=42 - \yl@ydiff=92 - \put(0,0){\line(0,-1){168}}% single bond at 6 axial - \putlratom{-42}{-260}{\@memberb}% left & right type - \else\if\@tmpb b%single bond - \yl@xdiff=16 - \yl@ydiff=36 - \put(0,0){\line(-5,3){144}}% single bond at 6 equatorial - \putlatom{-160}{50}{\@memberb}% left type - \else\if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10 - \yl@ydiff=90 - \put(0,0){\line(-1,-1){120}}% single bond at 6 - \putlatom{-130}{-210}{\@memberb}% left type - \else\if\@tmpc a%(a) axial - \yl@xdiff=42 - \yl@ydiff=92 - \put(0,0){\line(0,-1){168}}% single bond at 6 axial - \putlratom{-42}{-260}{\@memberb}% left & right type - \else\if\@tmpc e%(e) beta - \yl@xdiff=16 - \yl@ydiff=36 - \put(0,0){\line(-5,3){144}}% single bond at 6 equatorial - \putlatom{-160}{50}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=10 - \yl@ydiff=90 - \putlatom{-130}{-210}{\@memberb}% left type - \put(-10,10){\line(-1,-1){120}}% double bond at 6 - \put(10,-10){\line(-1,-1){120}}% double bond at 6 - \else% - \yl@xdiff=10 - \yl@ydiff=90 - \putlatom{-130}{-210}{\@memberb}% left type - \put(0,0){\line(-1,-1){120}}% single bond at 6 - \fi\fi\fi\fi}% -\def\@chairiVII{% - \if\@tmpb a%single bond - \yl@xdiff=26 - \yl@ydiff=46 - \put(170,226){\line(-5,-3){144}}% single bond at 7 equatorial - \putlatom{10}{94}{\@memberb}% left type - \else\ifx\@tmpb\empty%single bond - \yl@xdiff=26 - \yl@ydiff=46 - \put(170,226){\line(-5,-3){144}}% single bond at 7 equatorial - \putlatom{10}{94}{\@memberb}% left type - \else\if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10 - \yl@ydiff=30 - \put(170,226){\line(-1,1){120}}% single bond at 7 - \putratom{40}{316}{\@memberb}% left type - \else\if\@tmpc a%(a) axial - \yl@xdiff=32 - \yl@ydiff=12 - \put(170,226){\line(0,1){168}}% single bond at 7 axial - \putlratom{138}{406}{\@memberb}% left & right type - \else\if\@tmpc e%(e) beta - \yl@xdiff=26 - \yl@ydiff=46 - \put(170,226){\line(-5,-3){144}}% single bond at 7 equatorial - \putlatom{10}{94}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=10 - \yl@ydiff=30 - \putlatom{40}{316}{\@memberb}% left type - \put(160,216){\line(-1,1){120}}% double bond at 7 - \put(180,236){\line(-1,1){120}}% double bond at 7 - \else% - \yl@xdiff=10 - \yl@ydiff=30 - \putlatom{40}{316}{\@memberb}% left type - \put(170,226){\line(-1,1){120}}% single bond at 7 - \fi\fi\fi\fi}% -\def\@chairiX{% - \if\@tmpb a%single bond - \yl@xdiff=40 - \yl@ydiff=104 - \put(573,91){\line(0,-1){168}}% single bond at 5 axial - \putlratom{533}{-181}{\@memberb}% left type - \else\if\@tmpb b%single bond - \yl@xdiff=-36 - \yl@ydiff=3 - \put(573,91){\line(5,3){144}}% single bond at 5 equatorial - \putlatom{753}{180}{\@memberb}% left type - \else\if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10 - \yl@ydiff=56 - \put(573,91){\line(5,-4){170}}% single bond at 5 - \putratom{753}{-101}{\@memberb}% right type - \else\if\@tmpc a%(a) axial - \yl@xdiff=40 - \yl@ydiff=104 - \put(573,91){\line(0,-1){168}}% single bond at 5 axial - \putlratom{533}{-181}{\@memberb}% left type - \else\if\@tmpc e%(e) beta - \yl@xdiff=-36 - \yl@ydiff=3 - \put(573,91){\line(5,3){144}}% single bond at 5 equatorial - \putlatom{753}{180}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=10 - \yl@ydiff=86 - \putratom{733}{-141}{\@memberb}% right type - \put(563,83){\line(5,-4){170}}% double bond at 5 - \put(583,99){\line(5,-4){170}}% double bond at 5 - \else% - \yl@xdiff=-10 - \yl@ydiff=76 - \put(573,91){\line(5,-4){170}}% single bond at 5 - \putratom{753}{-121}{\@memberb}% right type - \fi\fi\fi\fi}% -\def\@chairiIII{% - \if\@tmpb a%single bond - \yl@xdiff=-16 - \yl@ydiff=64 - \put(843,181){\line(5,-3){144}}% single bond at 3 equatorial - \putratom{1003}{31}{\@memberb}% right type - \else\ifx\@tmpb\empty%single bond - \yl@xdiff=-16 - \yl@ydiff=64 - \put(843,181){\line(5,-3){144}}% single bond at 3 equatorial - \putratom{1003}{31}{\@memberb}% right type - \else\if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10 - \yl@ydiff=30 - \put(843,181){\line(1,1){120}}% single bond at 3 - \putratom{953}{271}{\@memberb}% right type - \else\if\@tmpc a%(a) axial - \yl@xdiff=42 - \yl@ydiff=11 - \put(843,181){\line(0,1){168}}% single bond at 3 axial - \putlratom{801}{360}{\@memberb}% left & right type - \else\if\@tmpc e%(e) beta - \yl@xdiff=-16 - \yl@ydiff=64 - \put(843,181){\line(5,-3){144}}% single bond at 3 equatorial - \putratom{1003}{31}{\@memberb}% right type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=0 - \yl@ydiff=30 - \putratom{953}{271}{\@memberb}% right type - \put(833,191){\line(1,1){120}}% double bond at 3 - \put(853,171){\line(1,1){120}}% double bond at 3 - \else% - \yl@xdiff=10 - \yl@ydiff=30 - \put(843,181){\line(1,1){120}}% single bond at 3 - \putratom{953}{271}{\@memberb}% right type - \fi\fi\fi\fi}% -\def\@chairiIV{% - \if\@tmpb a%single bond - \yl@xdiff=40 - \yl@ydiff=104 - \put(673,-46){\line(0,-1){168}}% single bond at 4 axial - \putlratom{633}{-318}{\@memberb}% left & right type - \else\if\@tmpb b%single bond - \yl@xdiff=-6 - \yl@ydiff=17 - \put(673,-46){\line(5,3){144}}% single bond at 4 equatorial - \putratom{823}{23}{\@memberb}% right type - \else\if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10 - \yl@ydiff=92 - \put(673,-46){\line(1,-1){120}}% single bond at 4 - \putratom{803}{-258}{\@memberb}% right type - \else\if\@tmpc a%(a) axial - \yl@xdiff=40 - \yl@ydiff=104 - \put(673,-46){\line(0,-1){168}}% single bond at 4 axial - \putlratom{633}{-318}{\@memberb}% left & right type - \else\if\@tmpc e%(e) beta - \yl@xdiff=-6 - \yl@ydiff=17 - \put(673,-46){\line(5,3){144}}% single bond at 4 equatorial - \putratom{823}{23}{\@memberb}% right type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=-10 - \yl@ydiff=92 - \putratom{803}{-258}{\@memberb}% right type - \put(663,-53){\line(1,-1){120}}% double bond at 4 - \put(683,-38){\line(1,-1){120}}% double bond at 4 - \else% - \yl@xdiff=-10 - \yl@ydiff=76 - \put(673,-46){\line(5,-4){170}}% single bond at 4 - \putratom{853}{-258}{\@memberb}% right type - \fi\fi\fi\fi}% -\def\@chairiV{% - \if\@tmpb a%single bond - \yl@xdiff=26 - \yl@ydiff=102 - \put(270,90){\line(-5,-3){144}}% single bond at 5 equatorial - \putratom{100}{-98}{\@memberb}% left type - \else\ifx\@tmpb\empty%single bond - \yl@xdiff=26 - \yl@ydiff=102 - \put(270,90){\line(-5,-3){144}}% single bond at 5 equatorial - \putratom{100}{-98}{\@memberb}% left type - \else\if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=0 - \yl@ydiff=46 - \put(270,90){\line(-5,4){170}}% single bond at 5 - \putlatom{100}{180}{\@memberb}% left type - \else\if\@tmpc a%(a) axial - \yl@xdiff=32 - \yl@ydiff=12 - \put(270,90){\line(0,1){168}}% single bond at 5 axial - \putlratom{238}{270}{\@memberb}% left type - \else\if\@tmpc e%(e) beta - \yl@xdiff=36 - \yl@ydiff=102 - \put(270,90){\line(-5,-3){144}}% single bond at 5 equatorial - \putratom{100}{-98}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=0 - \yl@ydiff=36 - \putlatom{100}{200}{\@memberb}% left or right type - \put(260,80){\line(-5,4){170}}% double bond at 5 - \put(280,100){\line(-5,4){170}}% double bond at 5 - \else% - \yl@xdiff=0 - \yl@ydiff=26 - \putlatom{100}{200}{\@memberb}% left type - \put(270,90){\line(-5,4){170}}% single bond at 5 - \fi\fi\fi\fi}% -\def\@chairiI{% - \if\@tmpb a%single bond - \yl@xdiff=42 - \yl@ydiff=-10 - \put(0,0){\line(0,1){168}}% single bond at 1 axial - \putlratom{-42}{178}{\@memberb}% left & right type - \else\ifx\@tmpb\empty% - \yl@xdiff=42 - \yl@ydiff=-10 - \put(0,0){\line(0,1){168}}% single bond at 1 axial - \putlratom{-42}{178}{\@memberb}% left & right type - \else\if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=42 - \yl@ydiff=-10 - \put(0,0){\line(0,1){168}}% single bond at 1 axial - \putlratom{-42}{178}{\@memberb}% left & right type - \else\if\@tmpc a%(a) axial - \yl@xdiff=42 - \yl@ydiff=-10 - \put(0,0){\line(0,1){168}}% single bond at 1 axial - \putlratom{-42}{178}{\@memberb}% left & right type - \else\if\@tmpc e%(e) beta - \yl@xdiff=42 - \yl@ydiff=-10 - \put(0,0){\line(0,1){168}}% single bond at 1 axial - \putlratom{-42}{178}{\@memberb}% left & right type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=42 - \yl@ydiff=-10 - \put(0,0){\line(0,1){168}}% single bond at 1 axial - \putlratom{-42}{178}{\@memberb}% left & right type - \else% - \yl@xdiff=42 - \yl@ydiff=-10 - \put(0,0){\line(0,1){168}}% single bond at 1 axial - \putlratom{-42}{178}{\@memberb}% left & right type - \fi\fi\fi\fi}% -\def\@chairiII{% - \if\@tmpb a%single bond - \yl@xdiff=-10 - \yl@ydiff=13 - \put(0,0){\line(3,1){190}}% single bond at 6 equatorial - \putratom{200}{50}{\@memberb}% right type - \else\if\@tmpb b%single bond - \yl@xdiff=-10 - \yl@ydiff=0 - \put(0,0){\line(3,4){120}}% % bond 1 to 6 - \putratom{130}{160}{\@memberb}% left type - \else\if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10 - \yl@ydiff=-10 - \put(0,0){\line(1,1){120}}% single bond at 1 - \putratom{130}{130}{\@memberb}% left type - \else\if\@tmpc a%(a) axial - \yl@xdiff=-10 - \yl@ydiff=0 - \put(0,0){\line(3,4){120}}% % bond 1 to 6 - \putratom{130}{160}{\@memberb}% left type - \else\if\@tmpc e%(e) beta - \yl@xdiff=-10 - \yl@ydiff=13 - \put(0,0){\line(3,1){190}}% single bond at 6 equatorial - \putratom{200}{50}{\@memberb}% right type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=-10 - \yl@ydiff=-10 - \putratom{130}{130}{\@memberb}% left type - \put(-10,10){\line(1,1){120}}% double bond at 1 - \put(10,-10){\line(1,1){120}}% double bond at 1 - \else% - \yl@xdiff=-10 - \yl@ydiff=-10 - \putratom{130}{130}{\@memberb}% left type - \put(0,0){\line(1,1){120}}% single bond at 1 - \fi\fi\fi\fi}% -\def\@chairiVIII{% - \if\@tmpb a%single bond - \yl@xdiff=16 - \yl@ydiff=36 - \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial - \putlatom{-160}{50}{\@memberb}% left type - \else\if\@tmpb b%single bond - \yl@xdiff=-10 - \yl@ydiff=0 - \put(0,0){\line(3,4){120}}% % bond 1 to 6 - \putratom{130}{160}{\@memberb}% left type - \else\if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=4 - \yl@ydiff=36 - \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial - \putlatom{-140}{50}{\@memberb}% left type - \else\if\@tmpc e% right-hand - \yl@xdiff=-10 - \yl@ydiff=0 - \put(0,0){\line(3,4){120}}% % bond 1 to 6 - \putratom{130}{160}{\@memberb}% left type - \else\if\@tmpc a% left-hand - \yl@xdiff=16 - \yl@ydiff=36 - \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial - \putlatom{-160}{50}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=4 - \yl@ydiff=26 - \putlatom{-140}{60}{\@memberb}% left type - \put(10,10){\line(-5,3){144}}% single bond at 1 equatorial - \put(0,-10){\line(-5,3){144}}% single bond at 1 equatorial - \else% - \yl@xdiff=4 - \yl@ydiff=36 - \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial - \putlatom{-140}{50}{\@memberb}% left type - \fi\fi\fi\fi}% -\def\@chairiIX{% - \if\@tmpb a%single bond - \yl@xdiff=16 - \yl@ydiff=36 - \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial - \putlatom{-160}{50}{\@memberb}% left type - \else\if\@tmpb b%single bond - \yl@xdiff=-16 - \yl@ydiff=36 - \put(0,0){\line(5,3){144}}% single bond at 6 equatorial - \putratom{160}{50}{\@memberb}% left type - \else\if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=4 - \yl@ydiff=36 - \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial - \putlatom{-140}{50}{\@memberb}% left type - \else\if\@tmpc e% right-hand - \yl@xdiff=-16 - \yl@ydiff=36 - \put(0,0){\line(5,3){144}}% single bond at 6 equatorial - \putratom{160}{50}{\@memberb}% left type - \else\if\@tmpc a% left-hand - \yl@xdiff=16 - \yl@ydiff=36 - \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial - \putlatom{-160}{50}{\@memberb}% left type - \fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=4 - \yl@ydiff=36 - \putlatom{-140}{50}{\@memberb}% left type - \put(10,10){\line(-5,3){144}}% single bond at 1 equatorial - \put(0,-10){\line(-5,3){144}}% single bond at 1 equatorial - \else% - \yl@xdiff=4 - \yl@ydiff=36 - \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial - \putlatom{-140}{50}{\@memberb}% left type - \fi\fi\fi\fi}% -\endinput -%% -%% End of file `ccycle.sty'. diff --git a/Master/texmf-dist/tex/latex/xymtex/chemist.sty b/Master/texmf-dist/tex/latex/xymtex/chemist.sty deleted file mode 100644 index 68a92e21478..00000000000 --- a/Master/texmf-dist/tex/latex/xymtex/chemist.sty +++ /dev/null @@ -1,936 +0,0 @@ -%% -%% This is file `chemist.sty', -%% generated with the docstrip utility. -%% -%% The original source files were: -%% -%% chemist.dtx (with options: `chemist') -%% -%% This is a generated file. -%% -%% Copyright 1996, 2000 by Shinsaku Fujita -%% -%% This file is part of the ChemSci system. -%% ======================================= -%% -%% Released on June 1, 1996 -%% Released on November 3, 2000 (v2.00a) -%% -%% Copyright (C) 1996 by Shinsaku Fujita, all rights reserved. -%% This style file is created for submitting a manuscript to -%% scientific journals. This style file is to be contained in the -%% ``chemist'' directory which is an input directory for TeX. -%% -%% For using this file, see -%% Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' -%% Tokyo Kagaku Dojin, Tokyo (1993), Chapter 16. -%% -%% Copying of this file is authorized only if either -%% -%% (1) you make absolutely no changes to your copy, including name and -%% directory name -%% (2) if you do make changes, -%% (a) you name it something other than the names included in the -%% ``chemist'' directory and -%% (b) you acknowledge the original name. -%% This restriction ensures that all standard styles are identical. -%% -%% ======================================= -%% -%% This file is a modification of latex.tex (LaTeX2.09) and of latex.ltx -%% (a LaTeX2e), the reused parts of which is subject to -%% Copyright 1994 the LaTeX3 project and the individual authors (For further -%% copyright information see the file legal.txt of the LaTeX2e standard -%% distribution, and any other copyright indicated in this file.) -%% -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -%% -%% `chemist.dtx' ver1.01a (for LaTeX2e) 1996/06/15 -%% by Shinsaku Fujita -%% -\def\j@urnalname{chemist} \def\journalID{chemist} -\def\versi@ndate{November 3, 2000} -\def\versi@nno{ver2.00a} -\def\copyrighth@lder{SF} % Shinsaku Fujita -\typeout{Package `\j@urnalname' (\versi@nno) <\versi@ndate>\space -[\copyrighth@lder]} -\typeout{chemist.sty ver2.00a (for LaTeX2e) 2000/11/03[SF]} -\@ifundefined{chapter}{\newcounter{compd}}{\newcounter{compd}[chapter]} -\def\thecompd{\arabic{compd}} -\def\compd{\leavevmode\refstepcounter{compd}{\large\bf \thecompd}} -\def\nocompd{\refstepcounter{compd}} -\def\compdlabel#1{\compd \label{#1}} -\def\nocompdlabel#1{\nocompd \label{#1}} -\@ifundefined{bf}{\def\bf{\normalfont\bfseries}}{} -\def\cref#1{{\bf \ref{#1}}} -\def\compdfbox#1#2#3{\framebox[#1]{\rule[-0.3mm]{0pt}{#2} #3 }} -\def\compdmbox#1#2#3{\makebox[#1]{\rule[-0.3mm]{0pt}{#2} #3 }} -\def\lbcompdpbox#1#2#3{\parbox{#2}{\vskip 2em - \parbox{#2}{#3 \par \centering{\compdlabel{#1}}\vskip 2em }}} -\newcounter{deriv}[compd] -\def\thederiv {\thecompd\alph{deriv}} -\def\deriv{\leavevmode\refstepcounter{deriv}{\large\bf \thederiv}} -\def\noderiv{\refstepcounter{deriv}} -\def\derivnum{% -\leavevmode\refstepcounter{deriv}{\large\bf \alph{deriv}}} -\def\derivlabel#1{\deriv \label{#1}} -\def\noderivlabel#1{\noderiv \label{#1}} -\def\derivfbox#1#2#3{\framebox[#1]{\rule[-0.3mm]{0pt}{#2} #3 }} -\def\derivmbox#1#2#3{\makebox[#1]{\rule[-0.3mm]{0pt}{#2} #3 }} -\def\lbderivpbox#1#2#3{\parbox{#2}{\vskip 2em - \parbox{#2}{#3 \par \centering{\derivlabel{#1}}\vskip 2em }}} -\def\deriva{\leavevmode\refstepcounter{deriv}{\large\bf \alph{deriv}}} -\def\noderiva{\refstepcounter{deriv}} -\def\derivalabel#1{\deriva \label{#1}} -\def\noderivalabel#1{\noderiva \label{#1}} -\def\cdonecell#1#2#3{\raisebox{#1}{\parbox{#2}{\centering{#3}}}} -\def\cdtwocell#1#2#3#4{\raisebox{#1}{ - \parbox{#2}{\centering{#3} \par \vskip 3pt \centering{#4} }}} -\def\leftrightarrowfill{$\m@th \mathord\leftarrow \mkern-6mu - \cleaders\hbox{$\mkern-2mu \mathord- \mkern-2mu$}\hfill - \mkern-6mu \mathord\rightarrow$} -\def\Leftarrowfill{$\m@th \mathord\Leftarrow \mkern-6mu - \cleaders\hbox{$\mkern-2mu \mathord= \mkern-2mu$}\hfill - \mkern-6mu \mathord=$} -\def\Rightarrowfill{$\m@th \mathord= \mkern-6mu - \cleaders\hbox{$\mkern-2mu \mathord= \mkern-2mu$}\hfill - \mkern-6mu \mathord\Rightarrow$} -\def\Leftrightarrowfill{$\m@th \mathord\Leftarrow \mkern-6mu - \cleaders\hbox{$\mkern-2mu \mathord= \mkern-2mu$}\hfill - \mkern-6mu \mathord\Rightarrow$} -\def\reactrarrow{\@ifnextchar[{\react@rarrow}{\react@rarrow[0pt]}} -\def\react@rarrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{% - \parbox{#3}{\centering - \baselineskip=.8\normalbaselineskip #4 \par - \vskip-0.2\normalbaselineskip - \rightarrowfill \par - \vskip-0.1\normalbaselineskip #5}}} -\def\reactlarrow{\@ifnextchar[{\react@larrow}{\react@larrow[0pt]}} -\def\react@larrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{% - \parbox{#3}{\centering - \baselineskip=.8\normalbaselineskip #4 \par - \vskip-0.2\normalbaselineskip - \leftarrowfill \par - \vskip-0.1\normalbaselineskip #5}}} -\def\reactlrarrow{\@ifnextchar[{\react@lrarrow}{\react@lrarrow[0pt]}} -\def\react@lrarrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{% - \parbox{#3}{\centering - \baselineskip=.8\normalbaselineskip - #4 \par - \vskip-0.2\normalbaselineskip - \centering{\leftrightarrowfill} \par - \vskip-0.1\normalbaselineskip #5}}} -\def\reacteqarrow{\@ifnextchar[{\react@eqarrow}{\react@eqarrow[0pt]}} -\def\react@eqarrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{% - \parbox{#3}{\centering - \baselineskip=.8\normalbaselineskip - #4 \par - \vskip-0.2\normalbaselineskip - \rightarrowfill \par \vskip-0.55\normalbaselineskip% - \leftarrowfill \par - \vskip-0.1\normalbaselineskip #5}}} -\def\k@nz@n#1{\@tempdima=#1\relax -\@tempcnta=\@tempdima \@tempcntb=\unitlength -\divide\@tempcnta by \@tempcntb -\edef\kanzanchi{\the\@tempcnta}% -\divide\@tempcnta by2\relax -\edef\kanzanhalf{\the\@tempcnta}} -\def\reactdarrow{\@ifnextchar[{\react@darrow}{\react@darrow[0pt]}} -\def\react@darrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{\k@nz@n{#3}% -\def\arraystretch{0.8}% -\begin{tabular}{l}#4\end{tabular}% -{\tabcolsep=0pt -\begin{tabular}{c}\begin{picture}(0,\kanzanchi)(0,0) -\put(0,\kanzanchi){\vector(0,-1){\kanzanchi}} -\end{picture}\end{tabular}}% -\begin{tabular}{l}#5\end{tabular}}} -\def\reactuarrow{\@ifnextchar[{\react@uarrow}{\react@uarrow[0pt]}} -\def\react@uarrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{\k@nz@n{#3}% -\def\arraystretch{0.8}% -\begin{tabular}{l}#4\end{tabular}% -{\tabcolsep=0pt -\begin{tabular}{c}\begin{picture}(0,\kanzanchi)(0,0) -\put(0,0){\vector(0,1){\kanzanchi}} -\end{picture}\end{tabular}}% -\begin{tabular}{l}#5\end{tabular}}} -\def\reactveqarrow{\@ifnextchar[%] -{\react@veqarrow}{\react@veqarrow[0pt]}} -\def\react@veqarrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{\k@nz@n{#3}% -\def\arraystretch{0.8}% -\begin{tabular}{l}#4\end{tabular}% -{\tabcolsep=0pt -\begin{tabular}{c}\begin{picture}(40,\kanzanchi)(0,0) -\put(40,0){\vector(0,1){\kanzanchi}} -\put(0,\kanzanchi){\vector(0,-1){\kanzanchi}} -\end{picture}\end{tabular}}% -\begin{tabular}{l}#5\end{tabular}}} -\def\reactduarrow{\@ifnextchar[{\react@duarrow}{\react@duarrow[0pt]}} -\def\react@duarrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{\k@nz@n{#3}% -\def\arraystretch{0.8}% -\begin{tabular}{l}#4\end{tabular}% -{\tabcolsep=0pt -\begin{tabular}{c}\begin{picture}(0,\kanzanchi)(0,0) -\put(0,\kanzanhalf){\vector(0,1){\kanzanhalf}} -\put(0,\kanzanhalf){\vector(0,-1){\kanzanhalf}} -\end{picture}\end{tabular}}% -\begin{tabular}{l}#5\end{tabular}}} -\def\reactsearrow{\@ifnextchar[{\react@searrow}{\react@searrow[0pt]}} -\def\react@searrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{\k@nz@n{#3}% -\def\arraystretch{0.8}% -\begin{picture}(\kanzanchi,\kanzanchi)(0,0) -\put(0,\kanzanchi){\vector(1,-1){\kanzanchi}} -\put(\kanzanhalf,\kanzanhalf){\hbox to0pt{% -\begin{tabular}[b]{l}#4\end{tabular}\hss}} -\put(\kanzanhalf,\kanzanhalf){\lower2ex\hbox to0pt{\hss -\begin{tabular}[t]{r}#5\end{tabular}}} -\end{picture}}} -\def\reactnwarrow{\@ifnextchar[{\react@nwarrow}{\react@nwarrow[0pt]}} -\def\react@nwarrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{\k@nz@n{#3}% -\def\arraystretch{0.8}% -\begin{picture}(\kanzanchi,\kanzanchi)(0,0) -\put(\kanzanchi,0){\vector(-1,1){\kanzanchi}} -\put(\kanzanhalf,\kanzanhalf){\hbox to0pt{% -\begin{tabular}[b]{l}#4\end{tabular}\hss}} -\put(\kanzanhalf,\kanzanhalf){\lower2ex\hbox to0pt{\hss -\begin{tabular}[t]{r}#5\end{tabular}}} -\end{picture}}} -\def\reactnearrow{\@ifnextchar[{\react@nearrow}{\react@nearrow[0pt]}} -\def\react@nearrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{\k@nz@n{#3}% -\def\arraystretch{0.8}% -\begin{picture}(\kanzanchi,\kanzanchi)(0,0) -\put(0,0){\vector(1,1){\kanzanchi}} -\put(\kanzanhalf,\kanzanhalf){\lower2ex\hbox to0pt{% -\begin{tabular}[t]{l}#5\end{tabular}\hss}} -\put(\kanzanhalf,\kanzanhalf){\hbox to0pt{\hss -\begin{tabular}[b]{r}#4\end{tabular}}} -\end{picture}}} -\def\reactswarrow{\@ifnextchar[{\react@swarrow}{\react@swarrow[0pt]}} -\def\react@swarrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{\k@nz@n{#3}% -\def\arraystretch{0.8}% -\begin{picture}(\kanzanchi,\kanzanchi)(0,0) -\put(\kanzanchi,\kanzanchi){\vector(-1,-1){\kanzanchi}} -\put(\kanzanhalf,\kanzanhalf){\lower2ex\hbox to0pt{% -\begin{tabular}[t]{l}#5\end{tabular}\hss}} -\put(\kanzanhalf,\kanzanhalf){\hbox to0pt{\hss -\begin{tabular}[b]{r}#4\end{tabular}}} -\end{picture}}} -\def\reactdeqarrow{\@ifnextchar[%] -{\react@deqarrow}{\react@deqarrow[0pt]}} -\def\react@deqarrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{\k@nz@n{#3}% -\def\arraystretch{0.8}% -\begin{picture}(\kanzanchi,\kanzanchi)(0,0) -\put(0,\kanzanchi){\put(15,15){\vector(1,-1){\kanzanchi}}} -\put(\kanzanchi,0){\put(-15,-15){\vector(-1,1){\kanzanchi}}} -\put(\kanzanhalf,\kanzanhalf){\raise1ex\hbox to0pt{% -\begin{tabular}[b]{l}#4\end{tabular}\hss}} -\put(\kanzanhalf,\kanzanhalf){\lower2ex\hbox to0pt{\hss -\begin{tabular}[t]{r}#5\end{tabular}}} -\end{picture}}} -\def\reactueqarrow{\@ifnextchar[%] -{\react@ueqarrow}{\react@ueqarrow[0pt]}} -\def\react@ueqarrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{\k@nz@n{#3}% -\def\arraystretch{0.8}% -\begin{picture}(\kanzanchi,\kanzanchi)(0,0) -\put(0,0){\put(-15,15){\vector(1,1){\kanzanchi}}} -\put(\kanzanchi,\kanzanchi){\put(15,-15){\vector(-1,-1){\kanzanchi}}} -\put(\kanzanhalf,\kanzanhalf){\lower2ex\hbox to0pt{% -\begin{tabular}[t]{l}#5\end{tabular}\hss}} -\put(\kanzanhalf,\kanzanhalf){\raise1ex\hbox to0pt{\hss -\begin{tabular}[b]{r}#4\end{tabular}}} -\end{picture}}} -\def\reactulrarrow{\@ifnextchar[%] -{\react@ulrarrow}{\react@ulrarrow[0pt]}} -\def\react@ulrarrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{\k@nz@n{#3}% -\def\arraystretch{0.8}% -\begin{picture}(\kanzanchi,\kanzanchi)(0,0) -\put(\kanzanhalf,\kanzanhalf){\vector(1,1){\kanzanhalf}} -\put(\kanzanhalf,\kanzanhalf){\vector(-1,-1){\kanzanhalf}} -\put(\kanzanhalf,\kanzanhalf){\lower2ex\hbox to0pt{% -\begin{tabular}[t]{l}#5\end{tabular}\hss}} -\put(\kanzanhalf,\kanzanhalf){\raise1ex\hbox to0pt{\hss -\begin{tabular}[b]{r}#4\end{tabular}}} -\end{picture}}} -\def\reactdlrarrow{\@ifnextchar[%] -{\react@dlrarrow}{\react@dlrarrow[0pt]}} -\def\react@dlrarrow[#1]#2#3#4#5{\hskip#1\raisebox{#2}{\k@nz@n{#3}% -\def\arraystretch{0.8}% -\begin{picture}(\kanzanchi,\kanzanchi)(0,0) -\put(\kanzanhalf,\kanzanhalf){\vector(-1,1){\kanzanhalf}} -\put(\kanzanhalf,\kanzanhalf){\vector(1,-1){\kanzanhalf}} -\put(\kanzanhalf,\kanzanhalf){\hbox to0pt{% -\begin{tabular}[b]{l}#4\end{tabular}\hss}} -\put(\kanzanhalf,\kanzanhalf){\lower2ex\hbox to0pt{\hss -\begin{tabular}[t]{r}#5\end{tabular}}} -\end{picture}}} -\def\schemelarrow#1#2#3#4{\raisebox{#1}{% - \parbox{#2}{\centering - \baselineskip=.8\normalbaselineskip #3 \par - \vskip-0.2\normalbaselineskip - \centering{\Leftarrowfill} \par - \vskip-0.1\normalbaselineskip #4}}} -\def\schemerarrow#1#2#3#4{\raisebox{#1}{% - \parbox{#2}{\centering - \baselineskip=.8\normalbaselineskip #3 \par - \vskip-0.2\normalbaselineskip - \centering{\Rightarrowfill} \par - \vskip-0.1\normalbaselineskip #4}}} -\def\schemelrarrow#1#2#3#4{\raisebox{#1}{% - \parbox{#2}{\centering - \baselineskip=.8\normalbaselineskip #3 \par - \vskip-0.2\normalbaselineskip - \centering{\Leftrightarrowfill} \par - \vskip-0.1\normalbaselineskip #4}}} -\def\changespace#1{\def\baselinestretch{#1} \@normalsize} -\def\tbcaption{\def\@captype{table}\caption} -\def\fgcaption{\def\@captype{figure}\caption} -\def\smcaption{\def\@captype{scheme}\caption} -%%%%%%%%%%%1991 November 7%%%chapinitial%%%%%%%%%%%%% -\def\chap@initial#1% -{\medbreak\begingroup\clubpenalty=10000 - \def\par{\endgraf\endgroup\medbreak} - \noindent\hangindent28pt\hangafter=-2 -\hbox to0pt{\hskip-\hangindent -\hbox to28pt{\hss\raise-4pt\hbox{\lower3pt\hbox{\Huge\bf #1}} } -} \hskip-5pt plus2pt minus2pt} -\outer\def\chapinitial{\chap@initial} -\def\yen{\leavevmode\hbox{\setbox0=\hbox{Y}% -\setbox1=\vbox{\hrule height.05\ht0 width.96\wd0% -\kern.18\ht0\hrule height.05\ht0 width.96\wd0}% -\setbox1=\hbox to\wd0{\raise.3\ht0\box1\hss}% -{\ooalign{\hfil\box1\hfil\crcr\box0}}}} -\newif\ifverbswitch \verbswitchtrue -\let\old@verbatim\@verbatim -\let\old@xverbatim\@xverbatim -\let\old@sxverbatim\@sxverbatim -\begingroup - \catcode`\|=0 \catcode`\\=13 - |gdef|verbh@@k{|catcode`|\=13 |let\=|yen} -|endgroup -\def\verb{\begingroup \catcode``=13 \@noligs - \tt \let\do\@makeother \dospecials - \ifverbswitch \verbh@@k \fi \@ifstar{\@sverb}{\@verb}} -\begingroup -\catcode`|=0 \catcode`[=1 \catcode`]=2 -\catcode`\{=12 \catcode`\}=12 \catcode`\\=13 -|gdef|@xverbatim#1\end{verbatim}[#1|end[verbatim]] -|gdef|@sxverbatim#1\end{verbatim*}[#1|end[verbatim*]] -|endgroup -\newdimen\verbatimleftmargin \verbatimleftmargin\leftmargini -\newdimen\verbatimbaselineskip \verbatimbaselineskip11pt -\def\verbatimsize{\small} -\def\@verbatim{\trivlist \item[]% - \if@minipage \else \vskip\baselineskip% - \vskip-\verbatimbaselineskip \vskip\parskip\fi - \leftskip\@totalleftmargin - \if@minipage \else \advance\leftskip\verbatimleftmargin \fi - \rightskip\z@ \parindent\z@ \parfillskip\@flushglue \parskip\z@ - \@tempswafalse \def\par{\if@tempswa\hbox{}\fi\@tempswatrue\@@par} - \obeylines \verbatimsize \baselineskip\verbatimbaselineskip \tt - \catcode``=13 \@noligs \let\do\@makeother \dospecials} -\def\verbatim{\ifverbswitch \@verbatim \else \old@verbatim \fi -\frenchspacing \@vobeyspaces -\ifverbswitch \verbh@@k \@xverbatim \else \old@xverbatim \fi} -\@namedef{verbatim*}{% - \ifverbswitch \@verbatim \verbh@@k \@sxverbatim - \else \old@verbatim \old@sxverbatim \fi} -\def\@sverb#1{\def\@tempa ##1#1{##1\endgroup}\@tempa} -\def\@verb{\obeyspaces \frenchspacing \@sverb} -\def\@sverbtim{\obeyspaces\@verbatim} -\let\endverbatim=\endtrivlist -\@namedef{varbatim*}{\@verbatim\@sxverbatim} -\expandafter\let\csname endverbatim*\endcsname =\endtrivlist -\long\def\fb@xit#1#2#3#4{% -\setbox4=\vbox{\hsize#3\noindent#4}% -\vbox{\hrule\@height#1\hbox{\vrule\@width#1\kern#2\vbox{% -\kern#2\box4\kern#2}\kern#1\vrule\@width#1}\hrule\@height#1}} -\long\def\fboxit#1#2{\fb@xit{\fboxrule}{\fboxsep}{#1}{#2}} -\long\def\leftshfr@me#1#2#3#4{\leavevmode% - \vbox{\hbox{\hsize #3\vbox{% - \hbox{\vrule\@width #1% - \vbox{\kern-#1\fb@xit{% - \fboxrule}{#2}{#3}{#4}\kern-\fboxrule}\kern-#1}% - \hrule\@height#1}}}\strut\hskip #1\relax} -\long\def\leftshframe#1#2{% - \leftshfr@me{\fboxsep}{\fboxsep}{#1}{#2}} -\long\def\leftshfbox#1{\leavevmode\setbox0=\hbox{\fbox{#1}}% - \vbox{\hbox{\vbox{\hbox{\vrule\@width\fboxsep\vbox{% - \kern-\fboxsep\box0\kern-\fboxrule}\kern-\fboxsep}% - \hrule\@height\fboxsep}}}\hskip\fboxsep\relax} %%%% -\long\def\rightshfr@me#1#2#3#4{\leavevmode% - \vbox{\hbox{\kern#1\vbox{\hsize#3\vbox{\kern-#1\hbox{% - \kern-#1\fb@xit{\fboxrule}{#2}{#3}{#4}}\hrule\@height#1}}% - \vrule\@width#1}}\strut} -\long\def\rightshframe#1#2{% - \rightshfr@me{\fboxsep}{\fboxsep}{#1}{#2}} -\long\def\rightshfbox#1{\leavevmode% - \vbox{\hbox{\kern\fboxsep\vbox{\vbox{\kern-\fboxsep\hbox{% - \kern-\fboxsep\fbox{#1}}\hrule\@height\fboxsep}}% - \vrule\@width\fboxsep}}} -\def\ffboxit{\par\vskip1pc\hfil\vbox\bgroup - \hrule\hbox\bgroup\vrule\kern3pt\vbox\bgroup\kern3pt} -\def\endffboxit{\kern3pt\egroup\kern3pt\vrule\egroup\hrule\egroup - \hfil\\} -\def\ffparbox#1#2{\vbox{\hsize=#1 \noindent\strut #2\strut}} -\long\def\fr@meboxit#1#2#3{\gdef\fr@meline{#1}\gdef\fr@mesp{#2}% - \global\setbox4=\hbox\bgroup\minipage{#3}} -\def\endfr@meboxit{\endminipage\egroup% - \hbox{\vbox{\hrule\@height\fr@meline% - \hbox{\vrule\@width\fr@meline\kern\fr@mesp% - \vbox{\kern\fr@meline\kern\fr@mesp\box4\kern\fr@mesp}% - \kern\fr@mesp}\hrule\@height\fr@meline}% - \vrule\@width\fr@meline}} -\def\frameboxit#1{\leavevmode\fr@meboxit{\fboxrule}{\fboxsep}{#1}} -\let\endframeboxit=\endfr@meboxit -\def\lshfr@meboxit#1#2#3#4{\gdef\sh@hwidth{#1}\gdef\sh@vwidth{#2}% -\leavevmode% - \vbox\bgroup\hbox\bgroup\hsize #4\vbox\bgroup% - \hbox\bgroup\vrule\@width\sh@vwidth% - \vbox\bgroup\kern-\sh@hwidth\fr@meboxit{\fboxrule}{#3}{#4}} -\def\endlshfr@meboxit{\endfr@meboxit%%%%\kern-\fboxrule - \egroup\kern-\sh@vwidth\egroup% - \hrule\@height\sh@hwidth\egroup\egroup\egroup% - \strut\kern\sh@hwidth\relax} -\def\lshfboxit#1{\leavevmode% - \lshfr@meboxit{\fboxsep}{\fboxsep}{\fboxsep}{#1}} -\let\endlshfboxit=\endlshfr@meboxit -\def\rshfr@meboxit#1#2#3#4{% - \gdef\sh@hwidth{#1}\gdef\sh@vwidth{#2}% - \leavevmode% - \vbox\bgroup\hbox\bgroup\kern\sh@vwidth% - \vbox\bgroup\hsize#4\vbox\bgroup% - \kern-\sh@hwidth\hbox\bgroup\kern-\sh@vwidth% - \fr@meboxit{\fboxrule}{#3}{#4}} -\def\endrshfr@meboxit{\endfr@meboxit\egroup% - \hrule\@height\sh@hwidth% - \egroup\egroup\vrule\@width\sh@vwidth\egroup\egroup\strut} -\def\rshfboxit#1{\leavevmode% - \rshfr@meboxit{\fboxsep}{\fboxsep}{\fboxsep}{#1}} -\let\endrshfboxit=\endrshfr@meboxit -\newdimen\hsgr@d \newdimen\vsgr@d -\newdimen\vwgr@d \newdimen\hwgr@d -\newdimen\vsepgr@d \newdimen\hsepgr@d -\newcount\nrep \newcount\nrepmax -\nrepmax=25 -\def\grshfr@meboxit#1#2#3#4{% - \hsgr@d=0pt \advance\hsgr@d by#1 \divide\hsgr@d by\nrepmax% - \vsgr@d=0pt \advance\vsgr@d by#2 \divide\vsgr@d by\nrepmax% - \leavevmode% - \setbox0=\vbox\bgroup\fr@meboxit{\fboxrule}{#3}{#4}} -\def\brb@xit#1{\vbox{\setbox1=\hbox{#1}% - \offinterlineskip% - \hbox{\copy1\vsepgr@d=\nrep\vsgr@d% - \vwgr@d=\ht1\advance\vwgr@d by-\vsepgr@d% - \vrule\@height\vwgr@d\@width\vsgr@d}% - \hbox{\hsepgr@d=\nrep\hsgr@d\kern\hsepgr@d% - \vbox{\hwgr@d=\wd1\advance\hwgr@d by-\hsepgr@d% - \hrule\@height\hsgr@d\@width\hwgr@d}}}} -\def\lprb@xit{\expandafter\setbox0=\expandafter\brb@xit{\box0}} -\def\endgrshfr@meboxit{\endfr@meboxit\egroup% - \nrep=\@ne\@whilenum\nrep<\nrepmax\do% - {\lprb@xit\advance\nrep\@ne}\box0\relax} -\def\grshfboxit#1{\leavevmode% - \grshfr@meboxit{\fboxsep}{\fboxsep}{\fboxsep}{#1}} -\let\endgrshfboxit=\endgrshfr@meboxit -\def\glshfr@meboxit#1#2#3#4{% - \hsgr@d=0pt \advance\hsgr@d by#1 \divide\hsgr@d by\nrepmax% - \vsgr@d=0pt \advance\vsgr@d by#2 \divide\vsgr@d by\nrepmax% - \leavevmode% - \setbox0=\vbox\bgroup\fr@meboxit{\fboxrule}{#3}{#4}} -\def\blb@xit#1{% - \vbox{\setbox1=\hbox{#1}% - \offinterlineskip% - \vsepgr@d=\nrep\vsgr@d% - \vwgr@d=\ht1\advance\vwgr@d by-\vsepgr@d% - \hsepgr@d=\nrep\hsgr@d% - \hwgr@d=\wd1\advance\hwgr@d by-\hsepgr@d% - \hbox{\vrule\@height\vwgr@d\@width\vsgr@d\copy1}% - \hbox{\kern-\vsgr@d% - \vrule\@height\hsgr@d\@width\hwgr@d}}} -\def\lplb@xit{\expandafter\setbox0=\expandafter\blb@xit{\box0}} -\def\endglshfr@meboxit{\endfr@meboxit\egroup% - \nrep=\@ne\@whilenum\nrep<\nrepmax\do% - {\lplb@xit\advance\nrep\@ne}\box0\relax} -\def\glshfboxit#1{\leavevmode% - \glshfr@meboxit{\fboxsep}{\fboxsep}{\fboxsep}{#1}} -\let\endglshfboxit=\endglshfr@meboxit -\@ifundefined{ybaselineshift}{% -\newdimen\ybaselineshift \ybaselineshift=\z@}{} -\@ifundefined{tbaselineshift}{% -\newdimen\tbaselineshift \tbaselineshift=\z@}{} -\newdimen\@savetbaselineshift \@savetbaselineshift=\z@ -\def\@oval(#1,#2)[#3]{\begingroup\boxmaxdepth \maxdimen - \@ovttrue \@ovbtrue \@ovltrue \@ovrtrue - \@tfor\@tempa :=#3\do{\csname @ov\@tempa false\endcsname}\@ovxx - #1\unitlength \@ovyy #2\unitlength - \@tempdimb \ifdim \@ovyy >\@ovxx \@ovxx\else \@ovyy \fi - \advance\@tempdimb -2pt\relax - \@getcirc \@tempdimb - \@ovro \ht\@tempboxa \@ovri \dp\@tempboxa - \@ovdx\@ovxx \advance\@ovdx -\@tempdima \divide\@ovdx \tw@ - \@ovdy\@ovyy \advance\@ovdy -\@tempdima \divide\@ovdy \tw@ - \@circlefnt \setbox\@tempboxa - \hbox{\if@ovr \@ovvert32\kern -\@tempdima \fi - \if@ovl \kern \@ovxx \@ovvert01\kern -\@tempdima \kern -\@ovxx \fi - \if@ovt \@ovhorz \kern -\@ovxx \fi - \if@ovb \raise \@ovyy \@ovhorz \fi}\advance\@ovdx\@ovro - \advance\@ovdy\@ovro \ht\@tempboxa\z@ \dp\@tempboxa\z@ - \@put{-\@ovdx}{-\@ovdy}{\box\@tempboxa}% - \endgroup} -\def\h@b@x#1#2#3{\hbox to\dimen1% - {\@oval(#3,#3)[#1]\hfil\@oval(#3,#3)[#2]}} -\def\@vrf@#1#2{\vskip#1\leaders\vrule\@width#2\vfil\vskip#1} -\let\miniscreentoprule=\hrule -\def\miniscreen{\@ifnextchar[{\@miniscreen}{\@miniscreen[0]}} -\def\miniscreen{\@ifnextchar[{\@miniscreen}{\@miniscreen[0]}} -\def\@miniscreen[#1]#2{\dimen1=#2\relax% -\@savetbaselineshift\tbaselineshift \tbaselineshift\z@ -\@tempcnta=-2 \multiply\@tempcnta by#1\relax% -\advance\@tempcnta by 20\relax \dimen5=1pt -\multiply\dimen5\@tempcnta -\dimen4=-1pt \multiply\dimen4 by#1\relax -\advance\dimen4 by 10pt -\dimen3=\dimen4 \advance\dimen3 by -.2pt -\par\vspace{.3\baselineskip}% -\dimen2=\dimen1 \advance\dimen2 by .1pt -\advance\dimen1 -\dimen5\relax% -\setbox0=\hbox\bgroup\minipage{\dimen1 -\tbaselineshift\@savetbaselineshift}}% -\def\endminiscreen{\endminipage\egroup% -\setbox1=\hbox to\dimen2{\hfil\vbox{\offinterlineskip% -\thinlines\unitlength=1pt -\miniscreentoprule%\hrule -\kern\dimen3% -\h@b@x{tl}{tr}{\@tempcnta}% -\kern-\dimen4\box0\h@b@x{bl}{br}{\@tempcnta}% -\kern-.4pt\hrule}\hfil}\dimen0=\ht1\noindent% -\hbox to\dimen2{\hbox to.4pt{% -\vbox to\dimen0{\@vrf@{\dimen4}{.4pt}}\hss}% -\box1\hbox to.2pt{% - \hss\vbox to\dimen0{\@vrf@{\dimen4}{.4pt}}}\hss}}% -\def\screen{\@ifnextchar[{\@screen}{\@miniscreen[0]{\linewidth}}} -\def\@screen[#1]{\miniscreen[#1]{\linewidth}} -\let\endscreen=\endminiscreen -\def\tboxscreentoprule{% -\hbox to\wd0{\smash{\lower.4ex\hbox{% -\fboxsep=2pt \fbox{\small \tboxtitle}}}\hrulefill}} -\def\tboxtitle{\bf Memorandum} -\def\tboxminiscreen{\@ifnextchar[{\vskip8pt - \let\miniscreentoprule=\tboxscreentoprule% - \@miniscreen}{\vskip8pt - \let\miniscreentoprule=\tboxscreentoprule% - \@miniscreen[0]}} -\let\endtboxminiscreen=\endminiscreen -\def\tboxscreen{\@ifnextchar[{\@tboxscreen}% -{\@tboxscreen[0]}} -\def\@tboxscreen[#1]{\tboxminiscreen[#1]{\linewidth}} -\let\endtboxscreen=\endtboxminiscreen -\def\sboxit#1#2{\vbox{\hrule\hbox% -{\vrule\vbox{\kern3pt\vbox{\hsize #1 \noindent #2}% -\kern3pt}\vrule}\hrule}} -\def\bury{\@ifnextchar [{\@bury}{\@bury[.5\normalbaselineskip]}} -\def\@bury[#1]#2{\smash{\lower#1\hbox{#2}}} -\def\finpushw@ll{\wd0=0pt \box0} -\def\makepushw@ll#1{\setbox0=\hbox{#1}\finpushw@ll} -\def\mathpushw@ll#1#2{\setbox0=\hbox{$\m@th#1{#2}$}\finpushw@ll} -\def\pushtowall{\relax \leavevmode - \ifmmode\def\next{\mathpalette\mathpushw@ll} - \else\let\next\makepushw@ll \fi \next} -\def\penetrate#1#2{\pushtowall{\hbox{\hskip#1\hbox{#2}}}} -\def\cyan{\mbox{$\bigcirc$\kern-.06em{--}\kern-.06em - \ooalign{\hfil - \raise.05ex\hbox{\scriptsize C}\hfil\cr\cr$\bigcirc$}\,}} -\def\magenta{\mbox{$\bigcirc$\kern-.06em{--}\kern-.06em - \ooalign{\hfil - \raise.05ex\hbox{\scriptsize M}\hfil\cr\cr$\bigcirc$}\,}} -\def\yellow{\mbox{$\bigcirc$\kern-.06em{--}\kern-.06em - \ooalign{\hfil - \raise.05ex\hbox{\scriptsize Y}\hfil\cr\cr$\bigcirc$}\,}} -\def\cyandv{\mbox{$\bigotimes$\kern-.06em{--}\kern-.06em - \ooalign{\hfil - \raise.05ex\hbox{\scriptsize C}\hfil\cr\cr$\bigcirc$}\,}} -\def\magentadv{\mbox{$\bigotimes$\kern-.06em{--}\kern-.06em - \ooalign{\hfil - \raise.05ex\hbox{\scriptsize M}\hfil\cr\cr$\bigcirc$}\,}} -\def\yellowdv{\mbox{$\bigotimes$\kern-.06em{--}\kern-.06em - \ooalign{\hfil - \raise.05ex\hbox{\scriptsize Y}\hfil\cr\cr$\bigcirc$}\,}} -\def\agxlatent{% - \mbox{\ooalign{% - \hfil\raise.07ex\hbox{\footnotesize $\bullet$}\hfil\cr\cr - $\triangle$}\,}} -\def\agxdv{% - \mbox{\ooalign{\hfil\raise.07ex\hbox{% - \small $\spadesuit$}\hfil\cr\cr - $\triangle$}\,}} -\def\agx{\mbox{$\triangle$}} -\def\llongrightarrow{%%%---> -\relbar\joinrel\relbar\joinrel\relbar\joinrel\rightarrow} -\def\llongleftarrow{%%%<--- - \leftarrow\joinrel\relbar\joinrel\relbar\joinrel\relbar} -\def\llongleftrightarrow{%%%<---> - \leftarrow\joinrel\relbar\joinrel\relbar\joinrel\rightarrow} -\def\Equilibarrow{%%%<--- and ---> - \mathrel{\ooalign{\raise.35ex\hbox{$\llongrightarrow$}\crcr - \lower.35ex\hbox{$\llongleftarrow$}}}} -\def\Llongrightarrow{%%%===> - \Relbar\joinrel\Relbar\joinrel\Relbar\joinrel\Rightarrow} -\def\Llongleftarrow{%%%<=== - \Leftarrow\joinrel\Relbar\joinrel\Relbar\joinrel\Relbar} -\def\Llongleftrightarrow{%%<===> - \Leftarrow\joinrel\Relbar\joinrel\Relbar\joinrel\Rightarrow} - -\def\llongleftharpoondown{%%% /--- - \leftharpoondown\joinrel\relbar\joinrel\relbar\joinrel\relbar} -\def\llongrightharpoonup{%%%---/ - \relbar\joinrel\relbar\joinrel\relbar\joinrel\rightharpoonup} -\def\equilibarrow{%%% /--- and ---/ - \mathrel{\ooalign{% - \raise.3ex\hbox{$\llongrightharpoonup$}\crcr - \lower.3ex\hbox{$\llongleftharpoondown$}}}} -\def\eqproton{\stackrel{{\rm \displaystyle H}^{+}}{\Equilibarrow}} -\def\lllongrightarrow{\relbar\joinrel\relbar% - \joinrel\relbar\joinrel\relbar\joinrel\rightarrow} -\def\lllongleftarrow{%%%<------- - \leftarrow\joinrel\relbar\joinrel\relbar% - \joinrel\relbar\joinrel\relbar} -\def\lllongleftrightarrow{%%%<-------> - \leftarrow\joinrel\relbar\joinrel\relbar% - \joinrel\relbar\joinrel\rightarrow} -\def\Equiliblongarrow{%%%<------- and -------> - \mathrel{\ooalign{\raise.35ex\hbox{$\lllongrightarrow$}\crcr - \lower.35ex\hbox{$\lllongleftarrow$}}}} -\def\Lllongrightarrow{%%%=======> - \Relbar\joinrel\Relbar\joinrel\Relbar\joinrel% - \Relbar\joinrel\Rightarrow} -\def\Lllongleftarrow{%%%<======= - \Leftarrow\joinrel\Relbar\joinrel\Relbar\joinrel% - \Relbar\joinrel\Relbar} -\def\Lllongleftrightarrow{%%<=======> - \Leftarrow\joinrel\Relbar\joinrel\Relbar\joinrel% - \Relbar\joinrel\Rightarrow} -\def\lllongleftharpoondown{%%% /------- - \leftharpoondown\joinrel\relbar\joinrel\relbar% - \joinrel\relbar\joinrel\relbar} -\def\lllongrightharpoonup{%%%-------/ - \relbar\joinrel\relbar\joinrel\relbar\joinrel% - \relbar\joinrel\rightharpoonup} -\def\equiliblongarrow{%%% /------ and ------/ - \mathrel{\ooalign{% - \raise.3ex\hbox{$\lllongrightharpoonup$}\crcr - \lower.3ex\hbox{$\lllongleftharpoondown$}}}} -\def\deHBr{\stackrel{\displaystyle \rm -HBr}% -{\stackrel{\displaystyle \lllongrightarrow}{\rm E2}}} -\def\chemcorr{% - \fontdimen16\textfont2=3.5pt - \fontdimen17\textfont2=3.5pt - %\fontdimen14\textfont2=3.8pt -} -\def\leavechemcorr{% - \fontdimen16\textfont2=1.49998pt - \fontdimen17\textfont2=2.47217pt - %\fontdimen14\textfont2=3.62892pt -} -\newif\ifnewl@tex \newl@textrue -\@ifundefined{DeclareMathVersion}% - {\global\newl@texfalse}{\global\newl@textrue}% -\ifnewl@tex\@ifundefined{mv@chem}{\DeclareMathVersion{chem}% - \SetSymbolFont{letters}{chem}{OT1}{cmr}{m}{n}}{}\fi -\ifnewl@tex -\def\chemform#1{{\mathversion{chem}% -$\chemcorr #1$\leavechemcorr}} -\else -\def\chemform#1{\chemcorr -$\rm #1$\leavechemcorr} -\fi -\ifnewl@tex -\def\chemmath{\begingroup\mathversion{chem}\[\chemcorr} -\def\endchemmath{\]\endgroup\leavechemcorr} -\else -\def\chemmath{\chemcorr\[\rm} -\def\endchemmath{\] \leavechemcorr} -\fi -\ifnewl@tex -\def\chemeqn{\begingroup\mathversion{chem}\equation\chemcorr} -\def\endchemeqn{\endequation\endgroup\leavechemcorr} -\else -\def\chemeqn{\chemcorr\equation\rm} -\def\endchemeqn{\endequation\leavechemcorr} -\fi -\ifnewl@tex -\def\chemeqnarray{\stepcounter{equation} - \let\@currentlabel=\theequation - \global\@eqnswtrue - \global\@eqcnt\z@\tabskip\@centering - \let\\=\@eqncr - \begingroup\mathversion{chem} -$$\chemcorr\halign to \displaywidth\bgroup - \@eqnsel\hskip\@centering - $\rm \displaystyle\tabskip\z@{##}$ & - \global\@eqcnt\@ne - \hskip \arraycolsep \hfil$\rm{##}$\hfil & - \global\@eqcnt\tw@ \hskip \arraycolsep - $\rm \displaystyle\tabskip\z@{##}$\hfil - \tabskip\@centering & - \llap{##}\tabskip\z@\cr} -\def\endchemeqnarray{\endeqnarray\endgroup -\leavechemcorr} -\else -\def\chemeqnarray{\stepcounter{equation} - \let\@currentlabel=\theequation - \global\@eqnswtrue - \global\@eqcnt\z@\tabskip\@centering - \let\\=\@eqncr \chemcorr -$$\halign to \displaywidth\bgroup - \@eqnsel\hskip\@centering - $\rm \displaystyle\tabskip\z@{##}$ & - \global\@eqcnt\@ne - \hskip \arraycolsep \hfil$\rm{##}$\hfil & - \global\@eqcnt\tw@ \hskip \arraycolsep - $\rm \displaystyle\tabskip\z@{##}$\hfil - \tabskip\@centering & - \llap{##}\tabskip\z@\cr} -\def\endchemeqnarray{\endeqnarray -\leavechemcorr} -\fi -\let\@seqncr=\@eqncr -\ifnewl@tex -\@namedef{chemeqnarray*}{% -\def\@eqncr{\nonumber\@seqncr}\chemeqnarray} -\@namedef{endchemeqnarray*}{\nonumber\endchemeqnarray} -\else -\@namedef{chemeqnarray*}{% -\def\@eqncr{\nonumber\@seqncr\rm}\chemeqnarray} -\@namedef{endchemeqnarray*}{\nonumber\endchemeqnarray} -\fi -\def\chemeqnarraya{\chemeqn@rraya \chemeqnarray} -\def\chemeqn@rraya{% - 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height.03ex width1em\kern.4ex -\hrule height.03ex width1em}}}\hskip.4pt} -\def\doublebond{\leavevmode\kern.2pt\raisebox{.3ex}{% -\hbox{\vbox{\hrule height.03ex width1em\kern.6ex -\hrule height.03ex width1em}}}\hskip.4pt} -\let\tbond=\triplebond -\let\dbond=\doublebond -\endinput -%% -%% End of file `chemist.sty'. diff --git a/Master/texmf-dist/tex/latex/xymtex/chemstr.sty b/Master/texmf-dist/tex/latex/xymtex/chemstr.sty deleted file mode 100644 index 6e81e68d184..00000000000 --- a/Master/texmf-dist/tex/latex/xymtex/chemstr.sty +++ /dev/null @@ -1,5905 +0,0 @@ -%% -%% This is file `chemstr.sty', -%% generated with the docstrip utility. -%% -%% The original source files were: -%% -%% chemstr.dtx (with options: `chemstr') -%% -%% This is a generated file. -%% -%% Copyright 1996, 1988 by Shinsaku Fujita -%% -%% This file is part of the XyMTeX system. -%% ======================================= -%% -%% Version 1.01 Released on August 16, 1996 -%% Version 1.02 Released on October 31, 1998 (private version) -%% Version 2.00 Released on December 25, 1998 -%% -%% Copyright (C) 1996, 1998 by Shinsaku Fujita, all rights reserved. -%% This style file is created for drawing chemical structural formulas -%% This style file is to be contained in the ``xymtex'' directory which -%% is an input directory for TeX. -%% -%% Copying of this file is authorized only if either -%% -%% (1) you make absolutely no changes to your copy, including name and -%% directory name -%% (2) if you do make changes, -%% (a) you name it something other than the names included in the -%% ``xymtex'' directory and -%% (b) you acknowledge the original name. -%% This restriction ensures that all standard styles are identical. -%% -%% ======================================= -%% -%% This file contains several codes modified from latex.tex (LaTeX2.09) -%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -%% Copyright 1994 the LaTeX3 project and the individual authors (For further -%% copyright information see the file legal.txt of the LaTeX2e standard -%% distribution, and any other copyright indicated in this file.) -%% -%% File: chemstr.dtx -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00} -\typeout{ -- Released December 25, 1998 by Shinsaku Fujita} -\def\j@urnalname{chemstr} -\def\versi@ndate{December 25, 1998} -\def\versi@nno{ver2.00} -\def\copyrighth@lder{SF} % Shinsaku Fujita -\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>% -\space[\copyrighth@lder]} -\def\UPSILON{\char'7} -\def\XyM{X\kern-.30em\smash{\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}} -\def\XyMTeX{\XyM\kern-.1em\TeX} -\def\@forsemicol#1:=#2\do#3{% - \expandafter\def\expandafter\@fortmp\expandafter{#2}% - \ifx\@fortmp\@empty \else% - \expandafter\@forl@@p#2;\@nil;\@nil\@@#1{#3}\fi} -\long\def\@forl@@p#1;#2;#3\@@#4#5{\def#4{#1}\ifx #4\@nnil \else% - #5\def#4{#2}\ifx #4\@nnil \else#5\@iforl@@p #3\@@#4{#5}\fi\fi} -\long\def\@iforl@@p#1;#2\@@#3#4{\def#3{#1}\ifx #3\@nnil% - \expandafter\@fornoop \else - #4\relax\expandafter\@iforl@@p\fi#2\@@#3{#4}} -\def\@m@mb@r#1==#2;{\gdef\@membera{#1}\gdef\@memberb{#2}} -\def\twoch@r#1#2{\gdef\@tmpa{#1}\gdef\@tmpb{#2}} -\def\twoch@@r#1#2{\gdef\@@tmpa{#1}\gdef\@@tmpb{#2}} -\def\threech@r#1#2#3{\gdef\@tmpa{#1}\gdef\@tmpb{#2}\gdef\@tmpc{#3}} -\def\twoCH@@R#1#2//{\gdef\@@tmpa{#1}\gdef\@@tmpb{#2}} -\def\twoCH@R#1#2//{\gdef\@tmpa{#1}\gdef\@tmpb{#2}} -\newif\if@rightput \@rightputfalse -\newif\if@leftput \@leftputfalse -\newif\if@leftrightput \@leftrightputfalse -\def\resetlrput{\@rightputfalse\@leftputfalse -\@leftrightputfalse} -\def\rmoiety#1{\if@leftput -\XyMTeXWarning{Wrong \string\rmoiety\space used in a left box}% -\hbox to0pt{% -\hbox to0pt{\hss\vrule width\overfullrule height\overfullrule}#1\hss}% -\else\if@rightput\XyMTeXWarning{Unnecessary \string\rmoiety\space -used in a right box}\hbox to0pt{#1\hss}% -\else\if@leftrightput\hbox to0pt{#1\hss}% -\fi\fi\fi\resetlrput} -\def\lmoiety#1{\if@rightput -\XyMTeXWarning{Wrong \string\lmoiety\space used in a right box}% -\hbox to0pt{\hss#1\kern-.72em% -\hbox to0pt{\vrule width\overfullrule height\overfullrule\hss}}\else -\if@leftput\XyMTeXWarning{Unnecessary \string\lmoiety\space -used in a left box}\hbox to0pt{\hss#1}% -\else\if@leftrightput\hbox to0pt{\hss#1\kern-.72em}% -\else\hbox to0pt{\hss#1\kern-.72em}\fi\fi\fi\resetlrput} -\def\XyMTeXWarning#1{% -\begingroup - \let\protect\string - \immediate\write\@unused{^^IXyMTeX Warning: #1\space - on input line \the\inputlineno^^I}% -\endgroup} -\newcount\@cnttempa -\newcount\@cnttempb -\def\FuseWarning#1#2#3#4#5#6#7{% -\@tempcnta=#1 \@tempcntb=#2 -\@cnttempa=#3 \advance\@cnttempa-#5 -\@cnttempb=#4 \advance\@cnttempb-#6 -\ifnum\@tempcnta=\@cnttempa - \ifnum\@tempcntb=\@cnttempb\else - \XyMTeXWarning{Mismatched fusion at bond `#7'}% - \fi -\else - \XyMTeXWarning{Mismatched fusion at bond `#7'}% -\fi} -\def\putlatom#1#2#3{\begingroup\resetlrput -\put(#1,#2){\@leftputtrue\hbox to0pt{\hss #3}\@leftputfalse}\endgroup} -\def\putratom#1#2#3{\begingroup\resetlrput -\put(#1,#2){\@rightputtrue\hbox to0pt{#3 \hss}\@rightputfalse}\endgroup} -\def\putlratom#1#2#3{\begingroup\resetlrput -\put(#1,#2){\@leftrightputtrue\hbox to.72em{#3\hss}}% -\@leftrightputfalse\endgroup} -\def\Putlratom#1#2#3{\put(#1,#2){\hbox to.8em{#3}}} -\newcount\noshift \noshift=0\relax% -\newcount\shifti \shifti=240\relax% -\newcount\shiftii \shiftii=400\relax% -\newcount\shiftiii \shiftiii=800\relax% -\unitlength.1pt% -\def\fuseAx{0} -\def\fuseBx{0} -\def\fuseAy{0} -\def\fuseBy{0} -\newif\if@clip \@clipfalse% % switch for clipping at 4 -\newif\if@aclip \@aclipfalse% % switch for clipping at 1 -\newif\if@bclip \@bclipfalse% % switch for clipping at 2 -\newif\if@cclip \@cclipfalse% % switch for clipping at 3 -\newif\if@eclip \@eclipfalse% % switch for clipping at 5 -\newif\if@fclip \@fclipfalse% % switch for clipping at 6 -\newif\iforigpt \origptfalse% % switch for showing the original point -\newcount\@tmpaa% -\newif\if@gclip \@gclipfalse% -\newif\if@hclip \@hclipfalse% -\newif\if@iclip \@iclipfalse% -\newif\if@jclip \@jclipfalse% -\def\@yl{(yl)} -\newcount\yl@xdiff -\newcount\yl@ydiff -\newcount\yl@shiftii -\newcount\yl@shifti -\def\@ylii{0}\def\@yli{0} -\def\@@ylii{}\def\@@yli{} -\def\reset@@yl{\gdef\@@ylii{}\gdef\@@yli{}} -\def\reset@yl@xydiff{\yl@xdiff=0 \yl@ydiff=0\relax} -\newif\if@ylsw \@ylswfalse -\newif\if@@ylsw \@@ylswfalse -\def\@reset@ylsw{\@ylswfalse\@@ylswfalse} -\newif\if@smallringsw \@smallringswfalse -\def\iniflag{% -\@aclipfalse\@bclipfalse\@cclipfalse\@clipfalse\@eclipfalse% -\@fclipfalse\@gclipfalse\@hclipfalse% -\@iclipfalse\@jclipfalse\@clipfusefalse% -\global\@smallringswfalse% -}% -\def\iniatom{% -\def\aaa{}\def\bbb{}\def\ccc{}\gdef\ddd{}% -\def\eee{}\def\fff{}% -\def\ggg{}\def\hhh{}\def\iii{}\gdef\jjj{}% -\def\@aaa{}\def\@bbb{}\def\@ccc{}\def\@ddd{}% -\def\@eee{}\def\@fff{}% -\def\@ggg{}\def\@hhh{}\def\@iii{}% -\def\@jjj{}\def\@kkk{}% -}% -\def\resetbdsw{\def\@aaa{a}\def\@bbb{b}\def\@ccc{c}% -\def\@ddd{d}\def\@eee{e}\def\@fff{f}% -\def\@ggg{g}\def\@hhh{h}\def\@iii{i}% -\def\@jjj{j}\def\@kkk{k}% -}% -\iniatom -\def\ylposition#1#2#3#4#5{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}\relax% -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifnum#5<0\relax% -\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax% -\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax\fi -\ifnum\@tmpaa>#3\relax% -\ifnum\@tmpaa<#4\relax% -\ifcase\@tmpaa%0 omit - \or\ifx\aaa\empty - \gdef\@ylii{0}\gdef\@yli{-406}\global\@ylswtrue%\@ylatrue% subst. on 1 - \else - \gdef\@ylii{0}\gdef\@yli{-442}\global\@ylswtrue%\@ylatrue% subst. on 1 - \fi - \or\ifx\bbb\empty - \gdef\@ylii{-171}\gdef\@yli{-303}\global\@ylswtrue%\@ylbtrue% subst. on 2 - \else - \gdef\@ylii{-213}\gdef\@yli{-327}\global\@ylswtrue%\@ylbtrue% subst. on 2 - \fi - \or\ifx\ccc\empty - \gdef\@ylii{-171}\gdef\@yli{-103}\global\@ylswtrue%\@ylctrue% subst. on 3 - \else - \gdef\@ylii{-213}\gdef\@yli{-79}\global\@ylswtrue%\@ylctrue% subst. on 3 - \fi - \or\ifx\ddd\empty - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%\@yldtrue% subst. on 4 - \else - \gdef\@ylii{0}\gdef\@yli{36}\global\@ylswtrue%\@yldtrue% subst. on 4 - \fi - \or\ifx\eee\empty - \gdef\@ylii{171}\gdef\@yli{-103}\global\@ylswtrue%\@yletrue% subst. on 5 - \else - \gdef\@ylii{213}\gdef\@yli{-79}\global\@ylswtrue%\@yletrue% subst. on 5 - \fi - \or\ifx\fff\empty - \gdef\@ylii{171}\gdef\@yli{-303}\global\@ylswtrue%\@ylftrue% subst. on 6 - \else - \gdef\@ylii{213}\gdef\@yli{-327}\global\@ylswtrue%\@ylftrue% subst. on 6 - \fi% -\fi%end of ifcase -\fi\fi\fi\fi\fi}}% -\def\@substa{% -\if@aclip% %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(0,436){\line(0,1){110}}% % single bond at 1 - \putlratom{-31}{563}{\@memberb}% % left or right type - \else\if\@tmpc B%(B) beta - \yl@xdiff=-36\relax - \yl@ydiff=-27\relax - \putlatom{-42}{563}{\@memberb}% % left type - {% - \thicklines% - \put(-18,436){\line(-3,5){60}}% % single bond at 1 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=37\relax - \yl@ydiff=-27\relax - \putratom{41}{563}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(18,436){\line(3,5){60}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(18,436)(72,526)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=36\relax - \yl@ydiff=-27\relax - \putratom{41}{563}{\@memberb}% % right type - {% - \thicklines% - \put(18,436){\line(3,5){60}}% % single bond at 1 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=-37\relax - \yl@ydiff=-27\relax - \putlatom{-42}{563}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-18,436){\line(-3,5){60}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(-18,436)(-72,526)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-36\relax - \yl@ydiff=-27\relax - \putlatom{-42}{563}{\@memberb}% % left type - \put(-18,436){\line(-3,5){60}}% % single bond at 1 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=37\relax - \yl@ydiff=-27\relax - \putratom{41}{563}{\@memberb}% % right type - \put(18,436){\line(3,5){60}}% % single bond at 1 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \put(-12,436){\line(0,1){110}}% % double bond at 1 - \put(12,436){\line(0,1){110}}% % double bond at 1 - \else\if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,436){\line(0,1){110}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,436){\line(0,1){110}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,436)(0,546)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(0,406){\setatombondd}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(0,406){\setatombondf}% - }% - \else% - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \put(0,436){\line(0,1){110}}% % single bond at 1 - \fi\fi\fi\fi% - \fi\fi% -\else% % no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(0,406){\line(0,1){140}}% % single bond at 1 - \putlratom{-31}{563}{\@memberb}% % left or right type - \else\if\@tmpc B%(B) beta - \yl@xdiff=-30\relax - \yl@ydiff=-37\relax - \putlatom{-42}{563}{\@memberb}% % left type - {% - \thicklines% - \put(0,406){\line(-3,5){72}}% % single bond at 1 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=31\relax - \yl@ydiff=-37\relax - \putratom{41}{563}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(0,406){\line(3,5){72}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,406)(72,526)}}% - \else\if\@tmpc u%(u) upper --- (B) beta - \yl@xdiff=30\relax - \yl@ydiff=-37\relax - \putratom{41}{563}{\@memberb}% % right type - {% - \thicklines% - \put(0,406){\line(3,5){72}}% % single bond at 1 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=-31\relax - \yl@ydiff=-37\relax - \putlatom{-42}{563}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(0,406){\line(-3,5){72}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,406)(-72,526)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-30\relax - \yl@ydiff=-37\relax - \putlatom{-42}{563}{\@memberb}% % left type - \put(0,406){\line(-3,5){72}}% % single bond at 1 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=31\relax - \yl@ydiff=-37\relax - \putratom{41}{563}{\@memberb}% % right type - \put(0,406){\line(3,5){72}}% % single bond at 1 - \fi\fi\fi\fi\fi% - \fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \put(-12,406){\line(0,1){140}}% % double bond at 1 - \put(12,406){\line(0,1){140}}% % double bond at 1 - \else\if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,406){\line(0,1){140}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,406){\line(0,1){140}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,406)(0,546)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(0,406){\setatombondd}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(0,406){\setatombondf}% - }% - \else% - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \put(0,406){\line(0,1){140}}% % single bond at 1 - \fi\fi\fi\fi% - \fi\fi - \fi}% end of \@substa -\def\@substb{% - \if@bclip %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10\relax - \yl@ydiff=24\relax - \putratom{311}{363}{\@memberb}% % right type - \put(201,327){\line(5,3){100}}% % single bond at 2 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-7\relax - \yl@ydiff=38\relax - \putratom{268}{420}{\@memberb}% % right type - {% - \thicklines% - \put(201,358){\line(3,5){60}}% % single bond at 2 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=-17\relax - \yl@ydiff=23\relax - \putratom{318}{280}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(201,303){\line(1,0){100}}% % single bond at 2 - }{{\thicklines% - \dottedline{20}(201,303)(301,303)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=-17\relax - \yl@ydiff=23\relax - \putratom{318}{280}{\@memberb}% % right type - {% - \thicklines% - \put(201,303){\line(1,0){100}}% % single bond at 2 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=-7\relax - \yl@ydiff=38\relax - \putratom{268}{420}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(201,358){\line(3,5){60}}% % single bond at 2 - }{{\thicklines% - \dottedline{20}(201,358)(261,458)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-7\relax - \yl@ydiff=38\relax - \putratom{268}{420}{\@memberb}% % right type - \put(201,358){\line(3,5){60}}% % single bond at 2 - \else\if\@tmpc a%(a) alpha% - \yl@xdiff=-17\relax - \yl@ydiff=23\relax - \putratom{318}{280}{\@memberb}% % right type - \put(201,303){\line(1,0){100}}% % single bond at 2 - \fi\fi\fi\fi\fi% - \fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=-10\relax - \yl@ydiff=18\relax - \putratom{311}{363}{\@memberb}% % right type - \put(194,331){\line(5,3){100}}% % double bond at 2 - \put(200,305){\line(5,3){100}}% % double bond at 2 - \else\if\@tmpb B%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=24\relax - \putratom{311}{363}{\@memberb}% % right type - {% - \thicklines% - \put(201,327){\line(5,3){100}}% % single bond at 2 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=-10\relax - \yl@ydiff=24\relax - \putratom{311}{363}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(201,327){\line(5,3){100}}% % single bond at 2 - }{{\thicklines% - \dottedline{20}(201,327)(301,387)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(171,303){\setatombonda}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(171,303){\setatombonde}% - }% - \else% - \yl@xdiff=-10\relax - \yl@ydiff=24\relax - \putratom{311}{363}{\@memberb}% % right type - \put(201,327){\line(5,3){100}}% % single bond at 2 - \fi\fi\fi\fi% - \fi\fi% - \else% %no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10\relax - \yl@ydiff=12\relax - \putratom{301}{363}{\@memberb}% % right type - \put(171,303){\line(5,3){120}}% % single bond at 2 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-15\relax - \yl@ydiff=13\relax - \putratom{258}{410}{\@memberb}% % right type - {% - \thicklines% - \put(171,303){\line(3,5){72}}% % single bond at 2 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=-7\relax - \yl@ydiff=23\relax - \putratom{318}{280}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(171,303){\line(1,0){140}}% % single bond at 2 - }{{\thicklines% - \dottedline{20}(171,303)(311,303)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=-7\relax - \yl@ydiff=23\relax - \putratom{318}{280}{\@memberb}% % right type - {% - \thicklines% - \put(171,303){\line(1,0){140}}% % single bond at 2 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=-15\relax - \yl@ydiff=13\relax - \putratom{258}{410}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(171,303){\line(3,5){72}}% % single bond at 2 - }{{\thicklines% - \dottedline{20}(171,303)(243,423)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-15\relax - \yl@ydiff=13\relax - \putratom{258}{410}{\@memberb}% % right type - \put(171,303){\line(3,5){72}}% % single bond at 2 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=-7\relax - \yl@ydiff=23\relax - \putratom{318}{280}{\@memberb}% % right type - \put(171,303){\line(1,0){140}}% % single bond at 2 - \fi\fi\fi\fi\fi% - \fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=-10\relax - \yl@ydiff=6\relax - \putratom{301}{363}{\@memberb}% % right type - \put(168,310){\line(5,3){120}}% % double bond at 2 - \put(174,284){\line(5,3){120}}% % double bond at 2 - \else\if\@tmpb B%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=12\relax - \putratom{301}{363}{\@memberb}% % right type - {% - \thicklines% - \put(171,303){\line(5,3){120}}% % single bond at 2 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=-10\relax - \yl@ydiff=12\relax - \putratom{301}{363}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(171,303){\line(5,3){120}}% % single bond at 2 - }{{\thicklines% - \dottedline{20}(171,303)(291,375)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(171,303){\setatombonda}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(171,303){\setatombonde}% - }% - \else% - \yl@xdiff=-10\relax - \yl@ydiff=12\relax - \putratom{301}{363}{\@memberb}% % right type - \put(171,303){\line(5,3){120}}% % single bond at 2 - \fi\fi\fi\fi% - \fi\fi - \fi}% end of \@substb -\def\@substc{% - \if@cclip %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10\relax - \yl@ydiff=46\relax - \putratom{311}{-27}{\@memberb}% % right type - \put(201,79){\line(5,-3){110}}% % single bond at 3 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-7\relax - \yl@ydiff=28\relax - \putratom{268}{-80}{\@memberb}% % right type - {% - \thicklines% - \put(201,48){\line(3,-5){60}}% % single bond at 3 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=-17\relax - \yl@ydiff=29\relax - \putratom{318}{74}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(201,103){\line(1,0){100}}% % single bond at 3 - }{{\thicklines% - \dottedline{20}(201,103)(301,103)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=-17\relax - \yl@ydiff=29\relax - \putratom{318}{74}{\@memberb}% % right type - {% - \thicklines% - \put(201,103){\line(1,0){100}}% % single bond at 3 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=-7\relax - \yl@ydiff=28\relax - \putratom{268}{-80}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(201,48){\line(3,-5){60}}% % single bond at 3 - }{{\thicklines% - \dottedline{20}(201,48)(261,-52)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-7\relax - \yl@ydiff=28\relax - \putratom{268}{-80}{\@memberb}% % right type - \put(201,48){\line(3,-5){60}}% % single bond at 3 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=-17\relax - \yl@ydiff=29\relax - \putratom{318}{74}{\@memberb}% % right type - \put(201,103){\line(1,0){100}}% % single bond at 3 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=-10\relax - \yl@ydiff=52\relax - \putratom{311}{-27}{\@memberb}% % right type - \put(194,76){\line(5,-3){100}}% % double bond at 3 - \put(200,101){\line(5,-3){100}}% % double bond at 3 - \else\if\@tmpb B%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=46\relax - \putratom{311}{-27}{\@memberb}% % right type - {% - \thicklines% - \put(201,79){\line(5,-3){100}}% % single bond at 3 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=-10\relax - \yl@ydiff=46\relax - \putratom{311}{-27}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(201,79){\line(5,-3){100}}% % single bond at 3 - }{{\thicklines% - \dottedline{20}(201,79)(301,19)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(171,103){\setatombondf}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(171,103){\setatombondc}% - }% - \else% - \yl@xdiff=-10\relax - \yl@ydiff=46\relax - \putratom{311}{-27}{\@memberb}% % right type - \put(201,79){\line(5,-3){100}}% % single bond at 3 - \fi\fi\fi\fi% - \fi\fi% - \else%no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10\relax - \yl@ydiff=58\relax - \putratom{301}{-27}{\@memberb}% % right type - \put(171,103){\line(5,-3){120}}% % single bond at 3 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-10\relax - \yl@ydiff=48\relax - \putratom{258}{-70}{\@memberb}% % right type - {% - \thicklines% - \put(171,103){\line(3,-5){72}}% % single bond at 3 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=-10\relax - \yl@ydiff=30\relax - \putratom{318}{74}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(171,103){\line(1,0){140}}% % single bond at 3 - }{{\thicklines% - \dottedline{20}(171,103)(311,103)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=-10\relax - \yl@ydiff=30\relax - \putratom{318}{74}{\@memberb}% % right type - {% - \thicklines% - \put(171,103){\line(1,0){140}}% % single bond at 3 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=-10\relax - \yl@ydiff=48\relax - \putratom{258}{-70}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(171,103){\line(3,-5){72}}% % single bond at 3 - }{{\thicklines% - \dottedline{20}(171,103)(243,-17)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-10\relax - \yl@ydiff=48\relax - \putratom{258}{-70}{\@memberb}% % right type - \put(171,103){\line(3,-5){72}}% % single bond at 3 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=-10\relax - \yl@ydiff=30\relax - \putratom{318}{74}{\@memberb}% % right type - \put(171,103){\line(1,0){140}}% % single bond at 3 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=-10\relax - \yl@ydiff=65\relax - \putratom{301}{-27}{\@memberb}% % right type - \put(168,96){\line(5,-3){120}}% % double bond at 3 - \put(174,121){\line(5,-3){120}}% % double bond at 3 - \else\if\@tmpb B%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=58\relax - \putratom{301}{-27}{\@memberb}% % right type - {% - \thicklines% - \put(171,103){\line(5,-3){120}}% % single bond at 3 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=-10\relax - \yl@ydiff=58\relax - \putratom{301}{-27}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(171,103){\line(5,-3){120}}% % single bond at 3 - }{{\thicklines% - \dottedline{20}(171,103)(291,31)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(171,103){\setatombondf}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(171,103){\setatombondc}% - }% - \else% - \yl@xdiff=-10\relax - \yl@ydiff=58\relax - \putratom{301}{-27}{\@memberb}% % right type - \put(171,103){\line(5,-3){120}}% % single bond at 3 - \fi\fi\fi\fi% - \fi\fi - \fi -}% end of \@substc -\def\@substd{% -\if@clip %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(0,-30){\line(0,-1){110}}% % single bond at 4 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-36\relax - \yl@ydiff=100\relax - \putlatom{-42}{-230}{\@memberb}% % left type - {% - \thicklines% - \put(-18,-30){\line(-3,-5){60}}% % single bond at 4 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=37\relax - \yl@ydiff=100\relax - \putratom{41}{-230}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(18,-30){\line(3,-5){60}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(18,-30)(72,-120)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=37\relax - \yl@ydiff=100\relax - \putratom{41}{-230}{\@memberb}% % right type - {% - \thicklines% - \put(18,-30){\line(3,-5){60}}% % single bond at 4 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=-36\relax - \yl@ydiff=100\relax - \putlatom{-42}{-230}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-18,-30){\line(-3,-5){60}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(-18,-30)(-78,-130)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-36\relax - \yl@ydiff=100\relax - \putlatom{-42}{-230}{\@memberb}% % left type - \put(-18,-30){\line(-3,-5){60}}% % single bond at 4 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=37\relax - \yl@ydiff=100\relax - \putratom{41}{-230}{\@memberb}% % right type - \put(18,-30){\line(3,-5){60}}% % single bond at 4 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(-12,-30){\line(0,-1){110}}% % double bond at 4 - \put(12,-30){\line(0,-1){110}}% % double bond at 4 - \else\if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,-30){\line(0,-1){110}}% % single bond at 4 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,-30){\line(0,-1){110}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(0,-30)(0,-140)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(0,0){\setatombonde}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(0,0){\setatombondg}% - }% - \else% - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(0,-30){\line(0,-1){110}}% % single bond at 4 - \fi\fi\fi\fi% - \fi\fi% - \else%no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(0,0){\line(0,-1){140}}% % single bond at 4 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-30\relax - \yl@ydiff=110\relax - \putlatom{-42}{-230}{\@memberb}% % left type - {% - \thicklines% - \put(0,0){\line(-3,-5){72}}% % single bond at 4 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=31\relax - \yl@ydiff=110\relax - \putratom{41}{-230}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(0,0){\line(3,-5){72}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(0,0)(72,-120)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=31\relax - \yl@ydiff=110\relax - \putratom{41}{-230}{\@memberb}% % right type - {% - \thicklines% - \put(0,0){\line(3,-5){72}}% % single bond at 4 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=-30\relax - \yl@ydiff=110\relax - \putlatom{-42}{-230}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(0,0){\line(-3,-5){72}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(0,0)(-72,-120)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-30\relax - \yl@ydiff=110\relax - \putlatom{-42}{-230}{\@memberb}% % left type - \put(0,0){\line(-3,-5){72}}% % single bond at 4 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=31\relax - \yl@ydiff=110\relax - \putratom{41}{-230}{\@memberb}% % right type - \put(0,0){\line(3,-5){72}}% % single bond at 4 - \fi\fi\fi\fi\fi% - \fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(-12,0){\line(0,-1){140}}% % double bond at 4 - \put(12,0){\line(0,-1){140}}% % double bond at 4 - \else\if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,0){\line(0,-1){140}}% % single bond at 4 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,0){\line(0,-1){140}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(0,0)(0,-140)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(0,0){\setatombonde}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(0,0){\setatombondg}% - }% - \else% - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(0,0){\line(0,-1){140}}% % single bond at 4 - \fi\fi\fi\fi% - \fi\fi% - \fi}%end of \@substd -\def\@subste{% - \if@eclip%clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10\relax - \yl@ydiff=46\relax - \putlatom{-311}{-27}{\@memberb}% % left type - \put(-201,79){\line(-5,-3){110}}% % single bond at 5 - \else\if\@tmpc B%(B) beta - \yl@xdiff=7\relax - \yl@ydiff=38\relax - \putlatom{-268}{-80}{\@memberb}% % left type - {% - \thicklines% - \put(-201,48){\line(-3,-5){60}}% % single bond at 5 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=17\relax - \yl@ydiff=29\relax - \putlatom{-318}{74}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-201,103){\line(-1,0){100}}% % single bond at 5 - }{{\thicklines% - \dottedline{20}(-201,103)(-301,103)}}% - \else\if\@tmpc u% (u) up --- (B) beta - \yl@xdiff=17\relax - \yl@ydiff=29\relax - \putlatom{-318}{74}{\@memberb}% % left type - {% - \thicklines% - \put(-201,103){\line(-1,0){100}}% % single bond at 5 - }% - \else\if\@tmpc d% (d) down --- (A) alpha - \yl@xdiff=7\relax - \yl@ydiff=38\relax - \putlatom{-268}{-80}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-201,48){\line(-3,-5){60}}% % single bond at 5 - }{{\thicklines% - \dottedline{20}(-201,48)(-261,-52)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=7\relax - \yl@ydiff=38\relax - \putlatom{-268}{-80}{\@memberb}% % left type - \put(-201,48){\line(-3,-5){60}}% % single bond at 5 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=17\relax - \yl@ydiff=29\relax - \putlatom{-318}{74}{\@memberb}% % left type - \put(-201,103){\line(-1,0){100}}% % single bond at 5 - \fi\fi\fi\fi\fi% - \fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=10\relax - \yl@ydiff=62\relax - \putlatom{-311}{-27}{\@memberb}% % left type - \put(-194,76){\line(-5,-3){100}}% % double bond at 5 - \put(-200,101){\line(-5,-3){100}}% % double bond at 5 - \else\if\@tmpb B%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=46\relax - \putlatom{-311}{-27}{\@memberb}% % left type - {% - \thicklines% - \put(-201,79){\line(-5,-3){100}}% % single bond at 5 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=10\relax - \yl@ydiff=46\relax - \putlatom{-311}{-27}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-201,79){\line(-5,-3){100}}% % single bond at 5 - }{{\thicklines% - \dottedline{20}(-201,79)(-301,21)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(-171,103){\setatombondc}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(-171,103){\setatombondd}% - }% - \else% - \yl@xdiff=10\relax - \yl@ydiff=46\relax - \putlatom{-311}{-27}{\@memberb}% % left type - \put(-201,79){\line(-5,-3){100}}% % single bond at 5 - \fi\fi\fi\fi% - \fi\fi% -\else%no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10\relax - \yl@ydiff=56\relax - \putlatom{-301}{-27}{\@memberb}% % left type - \put(-171,103){\line(-5,-3){120}}% % single bond at 5 - \else\if\@tmpc B%(B) beta - \yl@xdiff=15\relax - \yl@ydiff=63\relax - \putlatom{-258}{-70}{\@memberb}% % left type - {% - \thicklines% - \put(-171,103){\line(-3,-5){72}}% % single bond at 5 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=15\relax - \yl@ydiff=29\relax - \putlatom{-326}{74}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-171,103){\line(-1,0){140}}% % single bond at 5 - }{{\thicklines% - \dottedline{20}(-171,103)(-311,103)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=15\relax - \yl@ydiff=29\relax - \putlatom{-326}{74}{\@memberb}% % left type - {% - \thicklines% - \put(-171,103){\line(-1,0){140}}% % single bond at 5 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=15\relax - \yl@ydiff=63\relax - \putlatom{-258}{-70}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-171,103){\line(-3,-5){72}}% % single bond at 5 - }{{\thicklines% - \dottedline{20}(-171,103)(-243,-17)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=15\relax - \yl@ydiff=63\relax - \putlatom{-258}{-70}{\@memberb}% % left type - \put(-171,103){\line(-3,-5){72}}% % single bond at 5 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=15\relax - \yl@ydiff=29\relax - \putlatom{-326}{74}{\@memberb}% % left type - \put(-171,103){\line(-1,0){140}}% % single bond at 5 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=10\relax - \yl@ydiff=62\relax - \putlatom{-301}{-27}{\@memberb}% % left type - \put(-168,96){\line(-5,-3){120}}% % double bond at 5 - \put(-174,121){\line(-5,-3){120}}% % double bond at 5 - \else\if\@tmpb B%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=56\relax - \putlatom{-301}{-27}{\@memberb}% % left type - {% - \thicklines% - \put(-171,103){\line(-5,-3){120}}% % single bond at 5 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=-10\relax - \yl@ydiff=56\relax - \putlatom{-301}{-27}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-171,103){\line(-5,-3){120}}% % single bond at 5 - }{{\thicklines% - \dottedline{20}(-171,103)(-311,31)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(-171,103){\setatombondc}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(-171,103){\setatombondd}% - }% - \else% - \yl@xdiff=10\relax - \yl@ydiff=56\relax - \putlatom{-301}{-27}{\@memberb}% % left type - \put(-171,103){\line(-5,-3){120}}%% single bond at 5 - \fi\fi\fi\fi% - \fi\fi% - \fi}% end of \@subste -\def\@substf{% - \if@fclip %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10\relax - \yl@ydiff=24\relax - \putlatom{-311}{363}{\@memberb}% % left type - \put(-201,327){\line(-5,3){100}}% % single bond at 6 - \else\if\@tmpc B%(B) beta - \yl@xdiff=8\relax - \yl@ydiff=38\relax - \putlatom{-268}{420}{\@memberb}% % left type - {% - \thicklines% - \put(-201,358){\line(-3,5){60}}% % single bond at 6 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=17\relax - \yl@ydiff=23\relax - \putlatom{-318}{280}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-201,303){\line(-1,0){100}}% % single bond at 6 - }{{\thicklines% - \dottedline{20}(-201,303)(-301,303)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=17\relax - \yl@ydiff=23\relax - \putlatom{-318}{280}{\@memberb}% % left type - {% - \thicklines% - \put(-201,303){\line(-1,0){100}}% % single bond at 6 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=8\relax - \yl@ydiff=38\relax - \putlatom{-268}{420}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-201,358){\line(-3,5){60}}% % single bond at 6 - }{{\thicklines% - \dottedline{20}(-201,358)(-261,458)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=8\relax - \yl@ydiff=38\relax - \putlatom{-268}{420}{\@memberb}% % left type - \put(-201,358){\line(-3,5){60}}% % single bond at 6 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=17\relax - \yl@ydiff=23\relax - \putlatom{-318}{280}{\@memberb}% % left type - \put(-201,303){\line(-1,0){100}}% % single bond at 6 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=10\relax - \yl@ydiff=6\relax - \putlatom{-311}{363}{\@memberb}% % left type - \put(-194,331){\line(-5,3){100}}% % double bond at 6 - \put(-200,305){\line(-5,3){100}}% % double bond at 6 - \else\if\@tmpb B%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=24\relax - \putlatom{-311}{363}{\@memberb}% % left type - {% - \thicklines% - \put(-201,327){\line(-5,3){100}}% % single bond at 6 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=10\relax - \yl@ydiff=24\relax - \putlatom{-311}{363}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-201,327){\line(-5,3){100}}% % single bond at 6 - }{{\thicklines% - \dottedline{20}(-201,327)(-301,387)}}%1998/10/11 by SF - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(-171,303){\setatombondg}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(-171,303){\setatombonda}% - }% - \else% - \yl@xdiff=10\relax - \yl@ydiff=24\relax - \putlatom{-311}{363}{\@memberb}% % left type - \put(-201,327){\line(-5,3){100}}% % single bond at 6 - \fi\fi\fi\fi% - \fi\fi -\else%no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10\relax - \yl@ydiff=12\relax - \putlatom{-301}{363}{\@memberb}% % left type - \put(-171,303){\line(-5,3){120}}% % single bond at 6 - \else\if\@tmpc B%(B) beta - \yl@xdiff=15\relax - \yl@ydiff=13\relax - \putlatom{-258}{410}{\@memberb}% % left type - {% - \thicklines% - \put(-171,303){\line(-3,5){72}}% % single bond at 6 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=15\relax - \yl@ydiff=23\relax - \putlatom{-326}{280}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-171,303){\line(-1,0){140}}% % single bond at 6 - }{{\thicklines% - \dottedline{20}(-171,303)(-311,303)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=15\relax - \yl@ydiff=23\relax - \putlatom{-326}{280}{\@memberb}% % left type - {% - \thicklines% - \put(-171,303){\line(-1,0){140}}% % single bond at 6 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=15\relax - \yl@ydiff=13\relax - \putlatom{-258}{410}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-171,303){\line(-3,5){72}}% % single bond at 6 - }{{\thicklines% - \dottedline{20}(-171,303)(-243,423)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=15\relax - \yl@ydiff=13\relax - \putlatom{-258}{410}{\@memberb}% % left type - \put(-171,303){\line(-3,5){72}}% % single bond at 6 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=15\relax - \yl@ydiff=23\relax - \putlatom{-326}{280}{\@memberb}% % left type - \put(-171,303){\line(-1,0){140}}% % single bond at 6 - \fi\fi\fi\fi\fi% - \fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=10\relax - \yl@ydiff=6\relax - \putlatom{-301}{363}{\@memberb}% % left type - \put(-168,310){\line(-5,3){120}}% % double bond at 6 - \put(-174,284){\line(-5,3){120}}% % double bond at 6 - \else\if\@tmpb B%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=12\relax - \putlatom{-301}{363}{\@memberb}% % left type - {% - \thicklines% - \put(-171,303){\line(-5,3){120}}% % single bond at 6 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=-10\relax - \yl@ydiff=12\relax - \putlatom{-301}{363}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-171,303){\line(-5,3){120}}% % single bond at 6 - }{{\thicklines% - \dottedline{20}(-171,303)(-311,375)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(-171,303){\setatombondg}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(-171,303){\setatombonda}% - }% - \else% - \yl@xdiff=10\relax - \yl@ydiff=12\relax - \putlatom{-301}{363}{\@memberb}% % left type - \put(-171,303){\line(-5,3){120}}% % single bond at 6 - \fi\fi\fi\fi% - \fi\fi -\fi}% end of \@substf -\def\setsixringv#1#2#3#4#5{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifnum#5 < 0\relax% -\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax% -\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax \fi -\ifnum\@tmpaa >#3\relax% -\ifnum\@tmpaa <#4\relax% -\ifcase\@tmpaa%0 omit - \or\@substa% subst. on 1 - \or\@substb% subst. on 2 - \or\@substc% subst. on 3 - \or\@substd% subst. on 4 - \or\@subste% subst. on 5 - \or\@substf% subst. on 6 -\fi%end of ifcase -\fi% -\fi\fi\fi}}% -\def\ylfusedposition#1#2#3#4#5{% -\@@ylswfalse%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifnum#5<0\relax% -\@tmpaa=-\@tmpa\relax\advance\@tmpaa by #2\relax% -\@fused@linktrue -\else\@tmpaa=\@tmpa\relax\advance\@tmpaa by #2\relax -\@fused@linkfalse\fi% -\ifnum\@tmpaa >#3\relax% -\ifnum\@tmpaa <#4\relax% -\ifcase\@tmpaa% - \if\@tmpb F%single bond at F (fused position) - \def\@ylii{-171}\def\@yli{-303}\@ylswtrue%\@ylatrue% subst. on 0 - \else\if\@tmpb G%single bond at G (fused position) - \def\@ylii{-171}\def\@yli{-103}\@ylswtrue%\@ylatrue% subst. on 0 - \fi\fi% -\or% subst. on 1 F == (0,406), G == (171,303) for \@fused@linkfalse - % subst. on 1 G == (0,406), F == (171,303) for \@fused@linktrue -\if@fused@link - \if\@tmpb G%single bond at F (5,-3) fusion - \def\@ylii{0}\def\@yli{-406}\@ylswtrue%\@ylatrue% subst. on 1 - \else\if\@tmpb F%single bond at G - \def\@ylii{-171}\def\@yli{-303}\@ylswtrue%\@ylatrue% subst. on 1 - \fi\fi% -\else - \if\@tmpb F%single bond at F (5,-3) fusion - \def\@ylii{0}\def\@yli{-406}\@ylswtrue%\@ylatrue% subst. on 1 - \else\if\@tmpb G%single bond at G - \def\@ylii{-171}\def\@yli{-303}\@ylswtrue%\@ylatrue% subst. on 1 - \fi\fi% -\fi -\or% subst. on 2 F == (0,406), G == (-171,303) for \@fused@linkfalse - % subst. on 2 G == (0,406), F == (-171,303) for \@fused@linktrue -\if@fused@link - \if\@tmpb G%single bond at (-5,-3) fusion - \def\@ylii{0}\def\@yli{-406}\@ylswtrue%\@ylatrue% subst. on 2 - \else\if\@tmpb F%single bond at G - \def\@ylii{171}\def\@yli{-303}\@ylswtrue%\@ylatrue% subst. on 2 - \fi\fi% -\else - \if\@tmpb F%single bond at (-5,-3) fusion - \def\@ylii{0}\def\@yli{-406}\@ylswtrue%\@ylatrue% subst. on 2 - \else\if\@tmpb G%single bond at G - \def\@ylii{171}\def\@yli{-303}\@ylswtrue%\@ylatrue% subst. on 2 - \fi\fi% -\fi -\or %3 fused positions % G == (303,171) F == (103,171) - \if\@tmpb G%single bond at G (fused position) - \def\@ylii{-303}\def\@yli{-171}\@ylswtrue%\@ylatrue% subst. on 3 - \else\if\@tmpb F%single bond at F (fused position) - \def\@ylii{-103}\def\@yli{-171}\@ylswtrue%\@ylatrue% subst. on 3 - \fi\fi% -\fi%end of ifcase -\fi\fi\fi\fi\fi}}% end of \ylfusedposition -\def\GFbonda{% - \if\@tmpb F%single bond at F (fused position) - \GFbonda@a - \else\if\@tmpb G%single bond at G (fused position) - \GFbonda@b - \fi\fi% -}%end of GFbonda -\def\GFbonda@a{% - \if\@tmpc B%beta single bond - \yl@xdiff=31\relax%171-140 - \yl@ydiff=-17\relax%460-(303+140) - \putlratom{140}{460}{\@memberb}% % left or right type - {% - \thicklines% - \put(171,303){\line(0,1){140}}% % single bond at F - }% - \else\if\@tmpc A%alpha single bond - \yl@xdiff=31\relax%171-140 - \yl@ydiff=-17\relax%460-(303+140) - \putlratom{140}{460}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(171,303){\line(0,1){140}}% % single bond at F - }{{\thicklines% - \dottedline{20}(171,303)(171,443)}}% - \else\if\@tmpc U% unspecified single bond - \yl@xdiff=31\relax%171-140 - \yl@ydiff=-17\relax%460-(303+140) - \putlratom{140}{460}{\@memberb}% % left or right type - \put(168,303){$\wr$}% unspecified single bond at F - \put(168,353){$\wr$}% - \put(168,403){$\wr$}% - \else\if\@tmpc S%beta single bond - \yl@xdiff=31\relax%171-140 - \yl@ydiff=-17\relax%460-(303+140) - \putlratom{140}{460}{\@memberb}% % left or right type - \put(171,303){\line(0,1){140}}% % single bond at F - \else\ifx\@tmpc\empty%beta single bond - \yl@xdiff=31\relax%171-140 - \yl@ydiff=-17\relax%460-(303+140) - \putlratom{140}{460}{\@memberb}% % left or right type - \put(171,303){\line(0,1){140}}% % single bond at F - \fi\fi\fi\fi\fi% -}% -\def\GFbonda@b{% - \if\@tmpc B%beta single bond - \yl@xdiff=31\relax%171-140 - \yl@ydiff=90\relax%127-(140-103) - \putlratom{140}{-127}{\@memberb}% % left or right type - {% - \thicklines% - \put(171,103){\line(0,-1){140}}% % single bond at G - }% - \else\if\@tmpc A%alpha single bond - \yl@xdiff=31\relax%171-140 - \yl@ydiff=90\relax%127-(140-103) - \putlratom{140}{-127}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(171,103){\line(0,-1){140}}% % single bond at G - }{{\thicklines% - \dottedline{20}(171,103)(171,-37)}}% - \else\if\@tmpc U%beta single bond - \yl@xdiff=31\relax%171-140 - \yl@ydiff=90\relax%127-(140-103) - \putlratom{140}{-127}{\@memberb}% % left or right type - \put(168,43){$\wr$}% unspecified single bond at G - \put(168,-8){$\wr$}% - \put(168,-57){$\wr$}% - \else\if\@tmpc S%alpha single bond - \yl@xdiff=31\relax%171-140 - \yl@ydiff=90\relax%127-(140-103) - \putlratom{140}{-127}{\@memberb}% % left or right type - \put(171,103){\line(0,-1){140}}% % single bond at G - \else\ifx\@tmpc\empty%alpha single bond - \yl@xdiff=31\relax%171-140 - \yl@ydiff=90\relax%127-(140-103) - \putlratom{140}{-127}{\@memberb}% % left or right type - \put(171,103){\line(0,-1){140}}% % single bond at G - \fi\fi\fi\fi\fi% -}% -\def\GFbondb{% - \if@fused@link - \if\@tmpb G%single bond at G (5,-3) fusion - \GFbondb@a - \else\if\@tmpb F%single bond at F - \GFbondb@b - \fi\fi% - \else - \if\@tmpb F%single bond at F (5,-3) fusion - \GFbondb@a - \else\if\@tmpb G%single bond at G - \GFbondb@b - \fi\fi% - \fi -}% end of \GFbondb -\def\GFbondb@a{% - \if\@tmpc B%beta single bond - \yl@xdiff=10\relax% - \yl@ydiff=22\relax% - \putlatom{-130}{466}{\@memberb}% % left type - {% - \thicklines% - \put(0,406){\line(-5,3){120}}% % single bond at F - }% - \else\if\@tmpc A%alpha single bond - \yl@xdiff=10\relax% - \yl@ydiff=22\relax% - \putlatom{-130}{466}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(0,406){\line(-5,3){120}}% % single bond at F - }{{\thicklines% - \dottedline{20}(0,406)(-120,478)}}% - \else\if\@tmpc U%unspecified single bond - \yl@xdiff=10\relax% - \yl@ydiff=22\relax% - \putlatom{-130}{466}{\@memberb}% % left type - \put(0,406){\line(-5,3){120}}% % single bond at F - \else\if\@tmpc S%beta single bond - \yl@xdiff=10\relax% - \yl@ydiff=22\relax% - \putlatom{-130}{466}{\@memberb}% % left type - \put(0,406){\line(-5,3){120}}% % single bond at F - \else\ifx\@tmpc\empty%beta single bond - \yl@xdiff=10\relax% - \yl@ydiff=22\relax% - \putlatom{-130}{466}{\@memberb}% % left type - \put(0,406){\line(-5,3){120}}% % single bond at F - \else\if\@tmpc D%beta single bond (downward) - \yl@xdiff=31\relax% - \yl@ydiff=90\relax% - \putlratom{-31}{176}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,406){\line(0,-1){140}}% % single bond at F - }% - \else\if\@tmpc C%alpha single bond (downward) - \yl@xdiff=31\relax% - \yl@ydiff=90\relax% - \putlratom{-31}{176}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,406){\line(0,-1){140}}% % single bond at F - }{{\thicklines% - \dottedline{20}(0,406)(0,266)}}% - \fi\fi\fi\fi\fi\fi\fi% -}% end of \GFbondb@a -\def\GFbondb@b{% - \if\@tmpc B%beta single bond - \yl@xdiff=-10\relax% - \yl@ydiff=58\relax% - \putratom{301}{173}{\@memberb}% % right type - {% - \thicklines% - \put(171,303){\line(5,-3){120}}% % single bond at G - }% - \else\if\@tmpc A%alpha single bond - \yl@xdiff=-10\relax% - \yl@ydiff=58\relax% - \putratom{301}{173}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(171,303){\line(5,-3){120}}% % single bond at G - }{{\thicklines% - \dottedline{20}(171,303)(291,231)}}% - \else\if\@tmpc U%unspecified single bond - \yl@xdiff=-10\relax% - \yl@ydiff=58\relax% - \putratom{301}{173}{\@memberb}% % right type - \put(171,303){\line(5,-3){120}}% % single bond at G - \else\if\@tmpc S%alpha single bond - \yl@xdiff=-10\relax% - \yl@ydiff=58\relax% - \putratom{301}{173}{\@memberb}% % right type - \put(171,303){\line(5,-3){120}}% % single bond at G - \else\ifx\@tmpc\empty%alpha single bond - \yl@xdiff=-10\relax% - \yl@ydiff=58\relax% - \putratom{301}{173}{\@memberb}% % right type - \put(171,303){\line(5,-3){120}}% % single bond at G - \else\if\@tmpc D%beta single bond (upward) - \yl@xdiff=31\relax% - \yl@ydiff=-17\relax% - \putlratom{140}{460}{\@memberb}% % left or right type - {% - \thicklines% - \put(171,303){\line(0,1){140}}% % single bond at G - }% - \else\if\@tmpc C%alpha single bond (upward) - \yl@xdiff=31\relax% - \yl@ydiff=-17\relax% - \putlratom{140}{460}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(171,303){\line(0,1){140}}% % single bond at G - }{{\thicklines% - \dottedline{20}(171,303)(171,443)}}% - \fi\fi\fi\fi\fi\fi\fi% -}% end of \GFbondb@b -\def\GFbondc{% -\if@fused@link - \if\@tmpb G%single bond at (-5,-3) fusion - \GFbondc@a - \else\if\@tmpb F%single bond at F - \GFbondc@b - \fi\fi% -\else - \if\@tmpb F%single bond at (-5,-3) fusion - \GFbondc@a - \else\if\@tmpb G%single bond at G - \GFbondc@b - \fi\fi% -\fi -}% end of \GFbondc - \def\GFbondc@a{% - \if\@tmpc B%beta single bond - \yl@xdiff=-10\relax% - \yl@ydiff=12\relax% - \putratom{130}{466}{\@memberb}% % right type - {% - \thicklines% - \put(0,406){\line(5,3){120}}% % single bond at F - }% - \else\if\@tmpc A%alpha single bond - \yl@xdiff=-10\relax% - \yl@ydiff=12\relax% - \putratom{130}{466}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(0,406){\line(5,3){120}}% % single bond at F - }{{\thicklines% - \dottedline{20}(0,406)(120,478)}}% - \else\if\@tmpc U%unspecified single bond - \yl@xdiff=-10\relax% - \yl@ydiff=12\relax% - \putratom{130}{466}{\@memberb}% % right type - \put(0,406){\line(5,3){120}}% % single bond at F - \else\if\@tmpc S%beta single bond - \yl@xdiff=-10\relax% - \yl@ydiff=12\relax% - \putratom{130}{466}{\@memberb}% % right type - \put(0,406){\line(5,3){120}}% % single bond at F - \else\ifx\@tmpc\empty%beta single bond - \yl@xdiff=-10\relax% - \yl@ydiff=12\relax% - \putratom{130}{466}{\@memberb}% % right type - \put(0,406){\line(5,3){120}}% % single bond at F - \else\if\@tmpc D%beta single bond (downward) - \yl@xdiff=31\relax% - \yl@ydiff=90\relax% - \putlratom{-31}{176}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,406){\line(0,-1){140}}% % single bond at F - }% - \else\if\@tmpc C%alpha single bond (downward) - \yl@xdiff=31\relax% - \yl@ydiff=90\relax% - \putlratom{-31}{176}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,406){\line(0,-1){140}}% % single bond at F - }{{\thicklines% - \dottedline{20}(0,406)(0,266)}}% - \fi\fi\fi\fi\fi\fi\fi% -}% end of \GFbondc@a -\def\GFbondc@b{% - \if\@tmpc B%beta single bond - \yl@xdiff=10\relax% - \yl@ydiff=59\relax% - \putlatom{-301}{173}{\@memberb}% % left type - {% - \thicklines% - \put(-171,303){\line(-5,-3){120}}% % single bond at G - }% - \else\if\@tmpc A%alpha single bond - \yl@xdiff=10\relax% - \yl@ydiff=59\relax% - \putlatom{-301}{173}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-171,303){\line(-5,-3){120}}% % single bond at G - }{{\thicklines% - \dottedline{20}(-171,303)(-291,231)}}% - \else\if\@tmpc U%unspecified single bond - \yl@xdiff=10\relax% - \yl@ydiff=59\relax% - \putlatom{-301}{173}{\@memberb}% % left type - \put(-171,303){\line(-5,-3){120}}% single bond at G - \else\if\@tmpc S%alpha single bond - \yl@xdiff=10\relax% - \yl@ydiff=59\relax% - \putlatom{-301}{173}{\@memberb}% % left type - \put(-171,303){\line(-5,-3){120}}% single bond at G - \else\ifx\@tmpc\empty%alpha single bond - \yl@xdiff=10\relax% - \yl@ydiff=59\relax% - \putlatom{-301}{173}{\@memberb}% % left type - \put(-171,303){\line(-5,-3){120}}% single bond at G - \else\if\@tmpc D%beta single bond (upward) - \yl@xdiff=-30\relax% - \yl@ydiff=-17\relax% - \putlratom{201}{460}{\@memberb}% % left or right type - {% - \thicklines% - \put(-171,303){\line(0,1){140}}% % single bond at G - }% - \else\if\@tmpc C%alpha single bond (upward) - \yl@xdiff=-30\relax% - \yl@ydiff=-17\relax% - \putlratom{201}{460}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(-171,303){\line(0,1){140}}% % single bond at G - }{{\thicklines% - \dottedline{20}(-171,303)(-171,443)}}% - \fi\fi\fi\fi\fi\fi\fi% -}% end of \GFbondc@b -\def\GFbondd{% - \if\@tmpb G%single bond at G (fused position) - \if\@tmpc B%beta single bond - \yl@xdiff=-17\relax% - \yl@ydiff=31\relax% - \putlratom{460}{140}{\@memberb}% % left or right type - {% - \thicklines% - \put(303,171){\line(1,0){140}}% % single bond at G - }% - \else\if\@tmpc A%alpha single bond - \yl@xdiff=-17\relax% - \yl@ydiff=31\relax% - \putlratom{460}{140}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(303,171){\line(1,0){140}}% % single bond at G - }{{\thicklines% - \dottedline{20}(303,171)(443,171)}}% - \else\if\@tmpc U% unspecified single bond - \yl@xdiff=-17\relax% - \yl@ydiff=31\relax% - \putlratom{460}{140}{\@memberb}% % left or right type - \put(303,148){$\sim$}% unspecified single bond at G - \put(353,148){$\sim$}% - \put(403,148){$\sim$}% - \else\if\@tmpc S%beta single bond - \yl@xdiff=-17\relax% - \yl@ydiff=31\relax% - \putlratom{460}{140}{\@memberb}% % left or right type - \put(303,171){\line(1,0){140}}% % single bond at G - \else\ifx\@tmpc\empty%beta single bond - \yl@xdiff=-17\relax% - \yl@ydiff=31\relax% - \putlratom{460}{140}{\@memberb}% % left or right type - \put(303,171){\line(1,0){140}}% % single bond at G - \fi\fi\fi\fi\fi% - \else\if\@tmpb F%single bond at F (fused position) - \if\@tmpc B%beta single bond - \yl@xdiff=20\relax% - \yl@ydiff=31\relax% - \putlatom{-57}{140}{\@memberb}% % left type - {% - \thicklines% - \put(103,171){\line(-1,0){140}}% % single bond at F - }% - \else\if\@tmpc A%alpha single bond - \yl@xdiff=20\relax% - \yl@ydiff=31\relax% - \putlatom{-57}{140}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(103,171){\line(-1,0){140}}% % single bond at F - }{{\thicklines% - \dottedline{20}(103,171)(-37,171)}}% - \else\if\@tmpc U%beta single bond - \yl@xdiff=20\relax% - \yl@ydiff=31\relax% - \putlatom{-57}{140}{\@memberb}% % left type - \put(40,148){$\sim$}% unspecified single bond at F - \put(-13,148){$\sim$}% - \put(-62,148){$\sim$}% - \else\if\@tmpc S%alpha single bond - \yl@xdiff=20\relax% - \yl@ydiff=31\relax% - \putlatom{-57}{140}{\@memberb}% % left type - \put(103,171){\line(-1,0){140}}% % single bond at F - \else\ifx\@tmpc\empty%alpha single bond - \yl@xdiff=20\relax% - \yl@ydiff=31\relax% - \putlatom{-57}{140}{\@memberb}% % left type - \put(103,171){\line(-1,0){140}}% % single bond at F - \fi\fi\fi\fi\fi% - \fi\fi% -}% end of \GFbondd -\newif\if@fused@link \@fused@linkfalse -\def\setfusedbond#1#2#3#4#5{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifnum#5<0\relax% -\@tmpaa=-\@tmpa\relax\advance\@tmpaa by #2\relax\@fused@linktrue -\else\@tmpaa=\@tmpa\relax\advance\@tmpaa by #2\relax -\@fused@linkfalse\fi% -\ifnum\@tmpaa >#3\relax% -\ifnum\@tmpaa <#4\relax% -\ifcase\@tmpaa% -\GFbonda -\or% subst. on 1 F == (0,406), G == (171,303) -\GFbondb -\or% subst. on 2 F == (0,406), G == (-171,303) for \@fused@linkfalse - % subst. on 2 G == (0,406), F == (-171,303) for \@fused@linktrue -\GFbondc -\or %3 fused positions % G == (303,171) F == (103,171) -\GFbondd -\fi%end of ifcase -\fi\fi\fi\fi}}% -\newif\if@clipfuse \@clipfusefalse -\def\setatombond#1#2#3{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\@tmpaa=\@tmpa\relax\advance\@tmpaa by #2\relax -\ifx\@memberb\@yl\else -\ifnum\@tmpaa >0\relax% -\ifnum\@tmpaa <2\relax% -\ifcase\@tmpaa% -\or% subst. on 1 - \ifnum#3=1\relax%(upward) - \setatombonda - \else\ifnum#3=4\relax%(right) - \setatombondb - \else\ifnum#3=7\relax%(downward) - \setatombondc - \else\ifnum#3=11\relax% - \setatombondd - \else\ifnum#3=5\relax% - \setatombonde - \else\ifnum#3=3\relax% - \setatombondf - \else\ifnum#3=9\relax% - \setatombondg - \else\ifnum#3=10\relax%(left) - \setatombondh -\fi\fi\fi\fi\fi\fi\fi\fi% -\fi%end of ifcase -\fi\fi\fi\fi}}% -\def\setatombonda{%upward (0,1) - \if@clipfuse% - \if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - {% - \thicklines% - \put(0,40){\line(0,1){100}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \@ifundefined{dottedline}{% - \put(0,40){\line(0,1){100}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,40)(0,140)}}% - \else\if\@tmpb U% unspecified single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(-3,30){$\wr$}% unspecified single bond at 1 - \put(-3,80){$\wr$}% - \else\if\@tmpb S%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(0,40){\line(0,1){100}}% % single bond at 1 - \else\if\@tmpb D%double bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(-10,40){\line(0,1){100}}% % single bond at 1 - \put(10,40){\line(0,1){100}}% % single bond at 1 - \else\if\@tmpb T%double bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(-15,40){\line(0,1){100}}% % single bond at 1 - \put(0,40){\line(0,1){100}}% % single bond at 1 - \put(15,40){\line(0,1){100}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(0,40){\line(0,1){100}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlratom{-31}{157}{\@memberb}% % left or right type - \else%no clip - \if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - {% - \thicklines% - \put(0,0){\line(0,1){140}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \@ifundefined{dottedline}{% - \put(0,0){\line(0,1){140}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(0,140)}}% - \else\if\@tmpb U% unspecified single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(-3,0){$\wr$}% unspecified single bond at 1 - \put(-3,50){$\wr$}% - \put(-3,100){$\wr$}% - \else\if\@tmpb S%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(0,0){\line(0,1){140}}% % single bond at 1 - \else\if\@tmpb D%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(-10,0){\line(0,1){140}}% % single bond at 1 - \put(10,0){\line(0,1){140}}% % single bond at 1 - \else\if\@tmpb T%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(-15,0){\line(0,1){140}}% % single bond at 1 - \put(0,0){\line(0,1){140}}% % single bond at 1 - \put(15,0){\line(0,1){140}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(0,0){\line(0,1){140}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlratom{-31}{157}{\@memberb}% % left or right type - \fi% -}% end of \setatombonda -\def\setatombondb{%(right) (1,0) - \if@clipfuse% - \if\@tmpb B%beta single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - {% - \thicklines% - \put(30,0){\line(1,0){110}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \@ifundefined{dottedline}{% - \put(30,0){\line(1,0){110}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(30,0)(140,0)}}% - \else\if\@tmpb U%beta single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \put(30,0){\line(1,0){110}}% % single bond at 1 - \else\if\@tmpb S%alpha single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \put(40,0){\line(1,0){100}}% % single bond at 1 - \else\if\@tmpb D%alpha single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \put(40,10){\line(1,0){100}}% % single bond at 1 - \put(40,-10){\line(1,0){100}}% % single bond at 1 - \else\if\@tmpb T%alpha single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \put(40,15){\line(1,0){100}}% % single bond at 1 - \put(40,0){\line(1,0){100}}% % single bond at 1 - \put(40,-15){\line(1,0){100}}% % single bond at 1 - \else\ifx\@tmpb\empty%alpha single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \put(40,0){\line(1,0){100}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{157}{-31}{\@memberb}% % right type only - \else% - \if\@tmpb B%beta single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - {% - \thicklines% - \put(0,0){\line(1,0){140}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \@ifundefined{dottedline}{% - \put(0,0){\line(1,0){140}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(140,0)}}% - \else\if\@tmpb U%beta single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \put(0,0){\line(1,0){140}}% % single bond at 1 - \else\if\@tmpb S%alpha single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \put(0,0){\line(1,0){140}}% % single bond at 1 - \else\if\@tmpb D%alpha single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \put(0,10){\line(1,0){140}}% % single bond at 1 - \put(0,-10){\line(1,0){140}}% % single bond at 1 - \else\if\@tmpb T%alpha single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \put(0,-15){\line(1,0){140}}% % single bond at 1 - \put(0,0){\line(1,0){140}}% % single bond at 1 - \put(0,15){\line(1,0){140}}% % single bond at 1 - \else\ifx\@tmpb\empty%alpha single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \put(0,0){\line(1,0){140}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{157}{-31}{\@memberb}% % right type only - \fi% -}% end of \setatombondb -\def\setatombondc{%(downward) (0,-1) - \if@clipfuse% - \if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - {% - \thicklines% - \put(0,-40){\line(0,-1){100}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \@ifundefined{dottedline}{% - \put(0,-40){\line(0,-1){100}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,-40)(0,-140)}}% - \else\if\@tmpb U%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \put(-3,-90){$\wr$}% unspecified single bond at 1 - \put(-3,-140){$\wr$}% - \else\if\@tmpb S%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \put(0,-40){\line(0,-1){100}}% % single bond at 1 - \else\if\@tmpb D%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \put(10,-40){\line(0,-1){100}}% % single bond at 1 - \put(-10,-40){\line(0,-1){100}}% % single bond at 1 - \else\if\@tmpb T%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \put(15,-40){\line(0,-1){100}}% % single bond at 1 - \put(0,-40){\line(0,-1){100}}% % single bond at 1 - \put(-15,-40){\line(0,-1){100}}% % single bond at 1 - \else\ifx\@tmpb\empty%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \put(0,-40){\line(0,-1){100}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlratom{-31}{-230}{\@memberb}% % left or right type - \else%no clipping - \if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - {% - \thicklines% - \put(0,0){\line(0,-1){140}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \@ifundefined{dottedline}{% - \put(0,0){\line(0,-1){140}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(0,-140)}}% - \else\if\@tmpb U%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \put(-3,-60){$\wr$}% unspecified single bond at 1 - \put(-3,-110){$\wr$}% - \put(-3,-160){$\wr$}% - \else\if\@tmpb S%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \put(0,0){\line(0,-1){140}}% % single bond at 1 - \else\if\@tmpb D%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \put(10,0){\line(0,-1){140}}% % single bond at 1 - \put(-10,0){\line(0,-1){140}}% % single bond at 1 - \else\if\@tmpb T%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \put(15,0){\line(0,-1){140}}% % single bond at 1 - \put(0,0){\line(0,-1){140}}% % single bond at 1 - \put(-15,0){\line(0,-1){140}}% % single bond at 1 - \else\ifx\@tmpb\empty%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \put(0,0){\line(0,-1){140}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlratom{-31}{-230}{\@memberb}% % left or right type - \fi% -}% end of \setatombondc -\def\setatombondd{% (-5,3) - \if@clipfuse% - \yl@xdiff=-10\relax - \yl@ydiff=18\relax - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(-30,18){\line(-5,3){100}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(-30,18){\line(-5,3){100}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(-30,18)(-130,78)}}% - \else\if\@tmpb U%unspecified single bond - \put(-30,18){\line(-5,3){100}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(-30,18){\line(-5,3){100}}% % single bond at 1 - \else\if\@tmpb D%beta single bond - \put(-36,8){\line(-5,3){100}}% % single bond at 1 - \put(-24,24){\line(-5,3){100}}% % single bond at 1 - \else\if\@tmpb T%beta single bond - \put(-39,3){\line(-5,3){100}}% % single bond at 1 - \put(-30,18){\line(-5,3){100}}% % single bond at 1 - \put(-21,33){\line(-5,3){100}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(-30,18){\line(-5,3){100}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-130}{60}{\@memberb}% % left type - \else%no clipping - \yl@xdiff=-10\relax - \yl@ydiff=18\relax - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(0,0){\line(-5,3){130}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(0,0){\line(-5,3){130}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(-130,78)}}% - \else\if\@tmpb U%unspecified single bond - \put(0,0){\line(-5,3){130}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(0,0){\line(-5,3){130}}% % single bond at 1 - \else\if\@tmpb D%beta single bond - \put(6,10){\line(-5,3){130}}% % single bond at 1 - \put(-6,-10){\line(-5,3){130}}% % single bond at 1 - \else\if\@tmpb T%beta single bond - \put(9,15){\line(-5,3){130}}% % single bond at 1 - \put(0,0){\line(-5,3){130}}% % single bond at 1 - \put(-9,-15){\line(-5,3){130}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(0,0){\line(-5,3){130}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-130}{60}{\@memberb}% % left type - \fi% -}% end of \setatombondd -\def\setatombonde{%(5,-3) - \if@clipfuse% - \yl@xdiff=-10\relax - \yl@ydiff=52\relax - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(30,-18){\line(5,-3){100}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(30,-18){\line(5,-3){100}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(30,-18)(130,-78)}}% - \else\if\@tmpb U%unspecified single bond - \put(30,-18){\line(5,-3){100}}% % single bond at 1 - \else\if\@tmpb S%alpha single bond - \put(30,-18){\line(5,-3){100}}% % single bond at 1 - \else\if\@tmpb D%alpha single bond - \put(36,-12){\line(5,-3){100}}% % single bond at 1 - \put(24,-28){\line(5,-3){100}}% % single bond at 1 - \else\if\@tmpb T%alpha single bond - \put(39,-3){\line(5,-3){100}}% % single bond at 1 - \put(30,-18){\line(5,-3){100}}% % single bond at 1 - \put(21,-33){\line(5,-3){100}}% % single bond at 1 - \else\ifx\@tmpb\empty%alpha single bond - \put(30,-18){\line(5,-3){100}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{140}{-130}{\@memberb}% % right type - \else%no clipping - \yl@xdiff=-10\relax - \yl@ydiff=52\relax - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(0,0){\line(5,-3){130}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(0,0){\line(5,-3){130}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(130,-78)}}% - \else\if\@tmpb U%unspecified single bond - \put(0,0){\line(5,-3){130}}% % single bond at 1 - \else\if\@tmpb S%alpha single bond - \put(0,0){\line(5,-3){130}}% % single bond at 1 - \else\if\@tmpb D%alpha single bond - \put(6,10){\line(5,-3){130}}% % single bond at 1 - \put(-6,-10){\line(5,-3){130}}% % single bond at 1 - \else\if\@tmpb T%alpha single bond - \put(9,15){\line(5,-3){130}}% % single bond at 1 - \put(0,0){\line(5,-3){130}}% % single bond at 1 - \put(-9,-15){\line(5,-3){130}}% % single bond at 1 - \else\ifx\@tmpb\empty%alpha single bond - \put(0,0){\line(5,-3){130}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{140}{-130}{\@memberb}% % right type - \fi% -}% end of \setatombonde -\def\setatombondf{%% (5,3) - \if@clipfuse% - \yl@xdiff=-10\relax - \yl@ydiff=18\relax - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(30,18){\line(5,3){100}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(30,18){\line(5,3){100}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(30,18)(130,78)}}% - \else\if\@tmpb U%unspecified single bond - \put(30,18){\line(5,3){100}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(30,18){\line(5,3){100}}% % single bond at 1 - \else\if\@tmpb D%beta single bond - \put(36,8){\line(5,3){100}}% % single bond at 1 - \put(24,24){\line(5,3){100}}% % single bond at 1 - \else\if\@tmpb T%beta single bond - \put(39,3){\line(5,3){100}}% % single bond at 1 - \put(30,18){\line(5,3){100}}% % single bond at 1 - \put(21,33){\line(5,3){100}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(30,18){\line(5,3){100}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{140}{60}{\@memberb}% % right type - \else%no clipping - \yl@xdiff=-10\relax - \yl@ydiff=18\relax - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(0,0){\line(5,3){130}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(0,0){\line(5,3){130}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(130,78)}}% - \else\if\@tmpb U%unspecified single bond - \put(0,0){\line(5,3){130}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(0,0){\line(5,3){130}}% % single bond at 1 - \else\if\@tmpb D%beta single bond - \put(6,-10){\line(5,3){130}}% % single bond at 1 - \put(-6,10){\line(5,3){130}}% % single bond at 1 - \else\if\@tmpb T%beta single bond - \put(9,-15){\line(5,3){130}}% % single bond at 1 - \put(0,0){\line(5,3){130}}% % single bond at 1 - \put(-9,15){\line(5,3){130}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(0,0){\line(5,3){130}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{140}{60}{\@memberb}% % right type - \fi% -}% end of \setatombondf -\def\setatombondg{%% (-5,-3) - \if@clipfuse% - \yl@xdiff=0\relax - \yl@ydiff=52\relax%1999/1/6 by Shinsaku Fujita - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(-30,-18){\line(-5,-3){100}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(-30,-18){\line(-5,-3){100}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(-20,-12)(-120,-72)}}% - \else\if\@tmpc U%unspecified single bond - \put(-30,-18){\line(-5,-3){100}}% % single bond at 1 - \else\if\@tmpc S%alpha single bond - \put(-30,-18){\line(-5,-3){100}}% % single bond at 1 - \else\if\@tmpb D%double bond - \put(-36,-12){\line(-5,-3){100}}% % single bond at 1 - \put(-24,-28){\line(-5,-3){100}}% % single bond at 1 - \else\if\@tmpb T%triple bond - \put(-39,-3){\line(-5,-3){100}}% % single bond at 1 - \put(-30,-18){\line(-5,-3){100}}% % single bond at 1 - \put(-21,-33){\line(-5,-3){100}}% % single bond at 1 - \else\ifx\@tmpc\empty%alpha single bond - \put(-30,-18){\line(-5,-3){100}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-130}{-130}{\@memberb}% % left type - \else% - \yl@xdiff=0\relax - \yl@ydiff=52\relax%1999/1/6 by Shinsaku Fujita - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(0,0){\line(-5,-3){130}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(0,0){\line(-5,-3){130}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(-130,-78)}}% - \else\if\@tmpc U%unspecified single bond - \put(0,0){\line(-5,-3){130}}% % single bond at 1 - \else\if\@tmpc S%alpha single bond - \put(0,0){\line(-5,-3){130}}% % single bond at 1 - \else\if\@tmpb D%alpha single bond - \put(-6,10){\line(-5,-3){130}}% % single bond at 1 - \put(6,-10){\line(-5,-3){130}}% % single bond at 1 - \else\if\@tmpb T%alpha single bond - \put(-9,15){\line(-5,-3){130}}% % single bond at 1 - \put(0,0){\line(-5,-3){130}}% % single bond at 1 - \put(9,-15){\line(-5,-3){130}}% % single bond at 1 - \else\ifx\@tmpc\empty%alpha single bond - \put(0,0){\line(-5,-3){130}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-130}{-130}{\@memberb}% % left type - \fi% -}% end of \setatombondg -\def\setatombondh{% (-1,0) - \yl@xdiff=17\relax - \yl@ydiff=31\relax - \if@clipfuse% - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(-30,0){\line(-1,0){110}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(-30,0){\line(-1,0){110}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(-30,0)(-140,0)}}% - \else\if\@tmpb U%beta single bond - \put(-30,0){\line(-1,0){110}}% % single bond at 1 - \else\if\@tmpb S%alpha single bond - \put(-40,0){\line(-1,0){100}}% % single bond at 1 - \else\if\@tmpb D%alpha single bond - \put(-40,10){\line(-1,0){100}}% % single bond at 1 - \put(-40,-10){\line(-1,0){100}}% % single bond at 1 - \else\if\@tmpb T%alpha single bond - \put(-40,15){\line(-1,0){100}}% % single bond at 1 - \put(-40,0){\line(-1,0){100}}% % single bond at 1 - \put(-40,-15){\line(-1,0){100}}% % single bond at 1 - \else\ifx\@tmpb\empty%alpha single bond - \put(-40,0){\line(-1,0){100}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-157}{-31}{\@memberb}% % left type only - \else% - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(0,0){\line(-1,0){140}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(0,0){\line(-1,0){140}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(-140,0)}}% - \else\if\@tmpb U%beta single bond - \put(0,0){\line(-1,0){140}}% % single bond at 1 - \else\if\@tmpb S%alpha single bond - \put(0,0){\line(-1,0){140}}% % single bond at 1 - \else\if\@tmpb D%alpha single bond - \put(0,10){\line(-1,0){140}}% % single bond at 1 - \put(0,-10){\line(-1,0){140}}% % single bond at 1 - \else\if\@tmpb T%alpha single bond - \put(0,-15){\line(-1,0){140}}% % single bond at 1 - \put(0,0){\line(-1,0){140}}% % single bond at 1 - \put(0,15){\line(-1,0){140}}% % single bond at 1 - \else\ifx\@tmpb\empty%alpha single bond - \put(0,0){\line(-1,0){140}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-157}{-31}{\@memberb}% % left type only - \fi% -}% end of \setatombondh -\def\ylatombondposition#1#2#3{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\@tmpaa=\@tmpa\relax\advance\@tmpaa by #2\relax -\ifnum\@tmpaa >0\relax% -\ifnum\@tmpaa <2\relax% -\ifcase\@tmpaa% -\or% subst. on 1 - \ifnum#3=1\relax%upward - \if@clipfuse% - \gdef\@ylii{0}\gdef\@yli{-48}\global\@ylswtrue% - \else - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% - \fi - \else\ifnum#3=4\relax%(right) - \if@clipfuse% - \gdef\@ylii{-40}\gdef\@yli{0}\global\@ylswtrue% - \else - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% - \fi - \else\ifnum#3=7\relax%(downward) - \if@clipfuse% - \gdef\@ylii{0}\gdef\@yli{48}\global\@ylswtrue% - \else - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% - \fi - \else\ifnum#3=11\relax% - \if@clipfuse% - \gdef\@ylii{50}\gdef\@yli{-30}\global\@ylswtrue% - \else - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% - \fi - \else\ifnum#3=5\relax% - \if@clipfuse% - \gdef\@ylii{-50}\gdef\@yli{30}\global\@ylswtrue% - \else - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% - \fi - \else\ifnum#3=3\relax% - \if@clipfuse% - \gdef\@ylii{-50}\gdef\@yli{-30}\global\@ylswtrue% - \else - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% - \fi - \else\ifnum#3=9\relax% - \if@clipfuse% - \gdef\@ylii{50}\gdef\@yli{30}\global\@ylswtrue% - \else - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% - \fi - \else\ifnum#3=10\relax%(left) - \if@clipfuse% - \gdef\@ylii{40}\gdef\@yli{0}\global\@ylswtrue% - \else - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% - \fi -\fi\fi\fi\fi\fi\fi\fi\fi% -\fi%end of ifcase -\fi\fi\fi\fi% -\fi}}% end of \ylatombondposition -\def\ylpositionh#1#2#3#4#5{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}\relax% -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifnum#5<0\relax% -\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax% -\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax\fi -\ifnum\@tmpaa>#3\relax% -\ifnum\@tmpaa<#4\relax% -\ifcase\@tmpaa%0 omit - \or\ifx\aaa\empty - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%\@ylatrue% subst. on 1 - \else - \gdef\@ylii{30}\gdef\@yli{0}\global\@ylswtrue%\@ylatrue% subst. on 1 - \fi - \or\ifx\bbb\empty - \gdef\@ylii{-103}\gdef\@yli{-171}\global\@ylswtrue%\@ylbtrue% subst. on 2 - \else - \gdef\@ylii{-73}\gdef\@yli{-223}\global\@ylswtrue%\@ylbtrue% subst. on 2 - \fi - \or \ifx\ccc\empty - \gdef\@ylii{-303}\gdef\@yli{-171}\global\@ylswtrue%\@ylctrue% subst. on 3 - \else - \gdef\@ylii{-333}\gdef\@yli{-223}\global\@ylswtrue%\@ylctrue% subst. on 3 - \fi - \or\ifx\ddd\empty - \gdef\@ylii{-406}\gdef\@yli{0}\global\@ylswtrue%\@yldtrue% subst. on 4 - \else - \gdef\@ylii{-436}\gdef\@yli{0}\global\@ylswtrue%\@yldtrue% subst. on 4 - \fi - \or\ifx\eee\empty - \gdef\@ylii{-303}\gdef\@yli{171}\global\@ylswtrue%\@yletrue% subst. on 5 - \else - \gdef\@ylii{-333}\gdef\@yli{223}\global\@ylswtrue%\@yletrue% subst. on 5 - \fi - \or \ifx\fff\empty - \gdef\@ylii{-103}\gdef\@yli{171}\global\@ylswtrue%\@ylftrue% subst. on 6 - \else - \gdef\@ylii{-73}\gdef\@yli{223}\global\@ylswtrue%\@ylftrue% subst. on 6 - \fi -\fi%end of ifcase -\fi\fi\fi\fi\fi}}% -\def\@hsubsta{% -\if@aclip %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=17\relax - \yl@ydiff=31\relax - \putlatom{-157}{-31}{\@memberb}% % left type only - \put(-30,0){\line(-1,0){110}}% % single bond at 1 - \else\if\@tmpc B%(B) beta - \yl@xdiff=27\relax - \yl@ydiff=36\relax - \putlatom{-157}{42}{\@memberb}% % left type - {% - \thicklines% - \put(-30,18){\line(-5,3){100}}% % single bond at 1 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=37\relax - \yl@ydiff=28\relax - \putlatom{-157}{-100}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-30,-18){\line(-5,-3){100}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(-30,-18)(-120,-72)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=37\relax - \yl@ydiff=28\relax - \putlatom{-157}{-100}{\@memberb}% % left type - {% - \thicklines% - \put(-30,-18){\line(-5,-3){100}}% % single bond at 1 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=27\relax - \yl@ydiff=36\relax - \putlatom{-157}{42}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(-30,18){\line(-5,3){100}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(-30,18)(-130,78)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=27\relax - \yl@ydiff=36\relax - \putlatom{-157}{42}{\@memberb}% % left type - \put(-30,18){\line(-5,3){100}}% % single bond at 1 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=27\relax - \yl@ydiff=28\relax - \putlatom{-157}{-100}{\@memberb}% % left type - \put(-30,-18){\line(-5,-3){100}}% % single bond at 1 - \fi\fi\fi\fi\fi - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=17\relax - \yl@ydiff=31\relax - \putlatom{-157}{-31}{\@memberb}% % left type only - \put(-30,-12){\line(-1,0){110}}% % double bond at 1 - \put(-30,12){\line(-1,0){110}}% % double bond at 1 - \else\if\@tmpb B%beta single bond - \yl@xdiff=17\relax - \yl@ydiff=31\relax - \putlatom{-157}{-31}{\@memberb}% % left type only - {% - \thicklines% - \put(-30,0){\line(-1,0){110}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=17\relax - \yl@ydiff=31\relax - \putlatom{-157}{-31}{\@memberb}% % left type only - \@ifundefined{dottedline}{% - \put(-30,0){\line(-1,0){110}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(-30,0)(-140,0)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(0,0){\setatombondG}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(0,0){\setatombondD}% - }% - \else% - \yl@xdiff=17\relax - \yl@ydiff=31\relax - \putlatom{-157}{-31}{\@memberb}% % left type only - \put(-40,0){\line(-1,0){100}}% % single bond at 1 - \fi\fi\fi\fi - \fi\fi% -\else%% no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=17\relax - \yl@ydiff=31\relax - \putlatom{-157}{-31}{\@memberb}% % left type only - \put(0,0){\line(-1,0){140}}% % single bond at 1 - \else\if\@tmpc B%(B) beta - \yl@xdiff=37\relax - \yl@ydiff=30\relax - \putlatom{-157}{42}{\@memberb}% % left type - {% - \thicklines% - \put(0,0){\line(-5,3){120}}% % single bond at 1 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=37\relax - \yl@ydiff=28\relax - \putlatom{-157}{-100}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(0,0){\line(-5,-3){120}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(-120,-72)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=37\relax - \yl@ydiff=28\relax - \putlatom{-157}{-100}{\@memberb}% % left type - {% - \thicklines% - \put(0,0){\line(-5,-3){120}}% % single bond at 1 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=37\relax - \yl@ydiff=30\relax - \putlatom{-157}{42}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(0,0){\line(-5,3){120}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(-120,72)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=37\relax - \yl@ydiff=30\relax - \putlatom{-157}{42}{\@memberb}% % left type - \put(0,0){\line(-5,3){120}}% % single bond at 1 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=37\relax - \yl@ydiff=28\relax - \putlatom{-157}{-100}{\@memberb}% % left type - \put(0,0){\line(-5,-3){120}}% % single bond at 1 - \fi\fi\fi\fi\fi - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=17\relax - \yl@ydiff=31\relax - \putlatom{-157}{-31}{\@memberb}% % left type only - \put(0,-12){\line(-1,0){140}}% % double bond at 1 - \put(0,12){\line(-1,0){140}}% % double bond at 1 - \else\if\@tmpb B%beta single bond - \yl@xdiff=17\relax - \yl@ydiff=31\relax - \putlatom{-157}{-31}{\@memberb}% % left type only - {% - \thicklines% - \put(0,0){\line(-1,0){140}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=17\relax - \yl@ydiff=31\relax - \putlatom{-157}{-31}{\@memberb}% % left type only - \@ifundefined{dottedline}{% - \put(0,0){\line(-1,0){140}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(-140,0)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(0,0){\setatombondG}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(0,0){\setatombondD}% - }% - \else% - \yl@xdiff=17\relax - \yl@ydiff=31\relax - \putlatom{-157}{-31}{\@memberb}% % left type only - \put(0,0){\line(-1,0){140}}% % single bond at 1 - \fi\fi\fi\fi% - \fi\fi - \fi}%end of \@hsubsta -\def\@hsubstb{% - \if@bclip %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=43\relax - \yl@ydiff=5\relax - \putlratom{-27}{331}{\@memberb}% - \put(79,221){\line(-3,5){63}}% % single bond at 2 (62=>63) - \else\if\@tmpc B%(B) beta - \yl@xdiff=0\relax - \yl@ydiff=21\relax - \putlatom{-41}{240}{\@memberb}% % left type - {% - \thicklines% - \put(59,201){\line(-5,3){100}}% % single bond at 2 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=20\relax - \yl@ydiff=-10\relax - \putratom{83}{331}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(103,221){\line(0,1){100}}% % single bond at 2 - }{{\thicklines% - \dottedline{20}(103,221)(103,321)}}%1998/10/11 by SF - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=20\relax - \yl@ydiff=-10\relax - \putratom{83}{331}{\@memberb}% % right type - {% - \thicklines% - \put(103,221){\line(0,1){100}}% % single bond at 2 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=0\relax - \yl@ydiff=21\relax - \putlatom{-41}{240}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(59,201){\line(-5,3){100}}% % single bond at 2 - }{{\thicklines% - \dottedline{20}(59,201)(-41,261)}}%1998/10/11 by SF - \else\if\@tmpc b%(b) beta - \yl@xdiff=0\relax - \yl@ydiff=21\relax - \putlatom{-41}{240}{\@memberb}% % left type - \put(59,201){\line(-5,3){100}}% % single bond at 2 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=20\relax - \yl@ydiff=-10\relax - \putratom{83}{331}{\@memberb}% % right type - \put(103,221){\line(0,1){100}}% % single bond at 2 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=49\relax - \yl@ydiff=-13\relax - \putlratom{-27}{331}{\@memberb}% - \put(78,208){\line(-3,5){63}}% % double bond at 2(62->63) - \put(100,219){\line(-3,5){63}}% % double bond at 2(62->63) - \else\if\@tmpb B%beta single bond - \yl@xdiff=43\relax - \yl@ydiff=5\relax - \putlratom{-27}{331}{\@memberb}% - {% - \thicklines% - \put(79,221){\line(-3,5){63}}% % single bond at 2 (62->63) - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=43\relax - \yl@ydiff=5\relax - \putlratom{-27}{331}{\@memberb}% - \@ifundefined{dottedline}{% - \put(79,221){\line(-3,5){63}}% % single bond at 2(62->63) - }{{\thicklines% - \dottedline{20}(79,221)(16,326)}}%1998/10/11 by SF - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(103,171){\setatombondh}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(103,171){\setatombondF}% - }% - \else% - \yl@xdiff=43\relax - \yl@ydiff=5\relax - \putlratom{-27}{331}{\@memberb}% - \put(79,221){\line(-3,5){63}}% % single bond at 2 (62->63) - \fi\fi\fi\fi% - \fi\fi - \else%%no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=58\relax - \yl@ydiff=-41\relax - \putlratom{-27}{331}{\@memberb}% - \put(103,171){\line(-3,5){72}}% % single bond at 2 - \else\if\@tmpc B%(B) beta - \yl@xdiff=14\relax - \yl@ydiff=-3\relax - \putlatom{-31}{240}{\@memberb}% % left type - {% - \thicklines% - \put(103,171){\line(-5,3){120}}% % single bond at 2 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=20\relax - \yl@ydiff=-20\relax - \putratom{83}{331}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(103,171){\line(0,1){140}}% % single bond at 2 - }{{\thicklines% - \dottedline{20}(103,171)(103,311)}}%1998/10/11 by SF - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=20\relax - \yl@ydiff=-20\relax - \putratom{83}{331}{\@memberb}% % right type - {% - \thicklines% - \put(103,171){\line(0,1){140}}% % single bond at 2 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=14\relax - \yl@ydiff=-3\relax - \putlatom{-31}{240}{\@memberb}% % left type - \@ifundefined{dottedline}{% - \put(103,171){\line(-5,3){120}}% % single bond at 2 - }{{\thicklines% - \dottedline{20}(103,171)(-7,243)}}%1998/10/11 by SF - \else\if\@tmpc b%(b) beta - \yl@xdiff=14\relax - \yl@ydiff=-3\relax - \putlatom{-31}{240}{\@memberb}% % left type - \put(103,171){\line(-5,3){120}}% % single bond at 2 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=20\relax - \yl@ydiff=-20\relax - \putratom{83}{331}{\@memberb}% % right type - \put(103,171){\line(0,1){140}}% % single bond at 2 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=64\relax - \yl@ydiff=-41\relax - \putlratom{-27}{331}{\@memberb}% - \put(96,168){\line(-3,5){72}}% % double bond at 2 - \put(121,174){\line(-3,5){72}}% % double bond at 2 - \else\if\@tmpb B%beta single bond - \yl@xdiff=58\relax - \yl@ydiff=-41\relax - \putlratom{-27}{331}{\@memberb}% - {% - \thicklines% - \put(103,171){\line(-3,5){72}}% % single bond at 2 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=58\relax - \yl@ydiff=-41\relax - \putlratom{-27}{331}{\@memberb}% - \@ifundefined{dottedline}{% - \put(103,171){\line(-3,5){72}}% % single bond at 2 - }{{\thicklines% - \dottedline{20}(103,171)(31,291)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(103,171){\setatombondh}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(103,171){\setatombondF}% - }% - \else% - \yl@xdiff=58\relax - \yl@ydiff=-41\relax - \putlratom{-27}{331}{\@memberb}% - \put(103,171){\line(-3,5){72}}% % single bond at 2 - \fi\fi\fi\fi% - \fi\fi - \fi}% end of \@hsubstb -\def\@hsubstc{% - \if@cclip %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=43\relax - \yl@ydiff=5\relax - \putratom{363}{331}{\@memberb}% - \put(343,221){\line(3,5){63}}% % single bond at 3 (62->63) - \else\if\@tmpc B%(B) beta - \yl@xdiff=0\relax - \yl@ydiff=21\relax - \putratom{443}{240}{\@memberb}% % right type - {% - \thicklines% - \put(343,201){\line(5,3){100}}% % single bond at 3 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=20\relax - \yl@ydiff=0\relax - \putratom{283}{331}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(303,221){\line(0,1){110}}% % single bond at 3 - }{{\thicklines% - \dottedline{20}(303,221)(303,331)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=20\relax - \yl@ydiff=0\relax - \putratom{283}{331}{\@memberb}% % right type - {% - \thicklines% - \put(303,221){\line(0,1){110}}% % single bond at 3 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=0\relax - \yl@ydiff=21\relax - \putratom{443}{240}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(343,201){\line(5,3){100}}% % single bond at 3 - }{{\thicklines% - \dottedline{20}(343,201)(443,261)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=0\relax - \yl@ydiff=21\relax - \putratom{443}{240}{\@memberb}% % right type - \put(343,201){\line(5,3){100}}% % single bond at 3 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=20\relax - \yl@ydiff=0\relax - \putratom{283}{331}{\@memberb}% % right type - \put(303,221){\line(0,1){110}}% % single bond at 3 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=22\relax - \yl@ydiff=-18\relax - \putratom{363}{331}{\@memberb}% - \put(328,208){\line(3,5){63}}% % double bond at 3 - \put(303,214){\line(3,5){63}}% % double bond at 3 - \else\if\@tmpb B%beta single bond - \yl@xdiff=43\relax - \yl@ydiff=5\relax - \putratom{363}{331}{\@memberb}% - {% - \thicklines% - \put(343,221){\line(3,5){63}}% % single bond at 3 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=43\relax - \yl@ydiff=5\relax - \putratom{363}{331}{\@memberb}% - \@ifundefined{dottedline}{% - \put(343,221){\line(3,5){63}}% % single bond at 3 (62->63) - }{{\thicklines% - \dottedline{20}(343,221)(406,326)}}% 1998/10/11 by SF - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(303,171){\setatombondD}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(303,171){\setatombondb}% - }% - \else% - \yl@xdiff=43\relax - \yl@ydiff=5\relax - \putratom{363}{331}{\@memberb}% - \put(343,221){\line(3,5){63}}% % single bond at 3 (62->63) - \fi\fi\fi\fi% - \fi\fi - \else%no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=12\relax - \yl@ydiff=-40\relax - \putratom{363}{331}{\@memberb}% - \put(303,171){\line(3,5){72}}% % single bond at 3 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-20\relax - \yl@ydiff=3\relax - \putratom{443}{240}{\@memberb}% % right type - {% - \thicklines% - \put(303,171){\line(5,3){120}}% % single bond at 3 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=20\relax - \yl@ydiff=-20\relax - \putratom{283}{331}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(303,171){\line(0,1){140}}% % single bond at 3 - }{{\thicklines% - \dottedline{20}(303,171)(303,311)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=20\relax - \yl@ydiff=-20\relax - \putratom{283}{331}{\@memberb}% % right type - {% - \thicklines% - \put(303,171){\line(0,1){140}}% % single bond at 3 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=-20\relax - \yl@ydiff=3\relax - \putratom{443}{240}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(303,171){\line(5,3){120}}% % single bond at 3 - }{{\thicklines% - \dottedline{20}(303,171)(423,243)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-20\relax - \yl@ydiff=3\relax - \putratom{443}{240}{\@memberb}% % right type - \put(303,171){\line(5,3){120}}% % single bond at 3 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=20\relax - \yl@ydiff=-20\relax - \putratom{283}{331}{\@memberb}% % right type - \put(303,171){\line(0,1){140}}% % single bond at 3 - \fi\fi\fi\fi\fi% - \fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=6\relax - \yl@ydiff=-40\relax - \putratom{363}{331}{\@memberb}% - \put(310,168){\line(3,5){72}}% % double bond at 3 - \put(284,174){\line(3,5){72}}% % double bond at 3 - \else\if\@tmpb B%beta single bond - \yl@xdiff=12\relax - \yl@ydiff=-40\relax - \putratom{363}{331}{\@memberb}% - {% - \thicklines% - \put(303,171){\line(3,5){72}}% % single bond at 3 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=12\relax - \yl@ydiff=-40\relax - \putratom{363}{331}{\@memberb}% - \@ifundefined{dottedline}{% - \put(303,171){\line(3,5){72}}% % single bond at 3 - }{{\thicklines% - \dottedline{20}(303,171)(375,291)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(303,171){\setatombondD}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(303,171){\setatombondb}% - }% - \else% - \yl@xdiff=12\relax - \yl@ydiff=-40\relax - \putratom{363}{331}{\@memberb}% - \put(303,171){\line(3,5){72}}% % single bond at 3 - \fi\fi\fi\fi% - \fi\fi - \fi}% end of \@hsubstc -\def\@hsubstd{% -\if@clip %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \putratom{563}{-31}{\@memberb}% % right type only - \put(436,0){\line(1,0){110}}% % single bond at 4 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-27\relax - \yl@ydiff=36\relax - \putratom{563}{42}{\@memberb}% % right type only - {% - \thicklines% - \put(436,18){\line(5,3){100}}% % single bond at 4 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=-27\relax - \yl@ydiff=22\relax - \putratom{563}{-100}{\@memberb}% % right type only - \@ifundefined{dottedline}{% - \put(436,-18){\line(5,-3){100}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(436,-18)(526,-72)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=-27\relax - \yl@ydiff=22\relax - \putratom{563}{-100}{\@memberb}% % right type only - {% - \thicklines% - \put(436,-18){\line(5,-3){100}}% % single bond at 4 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=-27\relax - \yl@ydiff=36\relax - \putratom{563}{42}{\@memberb}% % right type only - \@ifundefined{dottedline}{% - \put(436,18){\line(5,3){100}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(436,18)(536,78)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-27\relax - \yl@ydiff=36\relax - \putratom{563}{42}{\@memberb}% % right type only - \put(436,18){\line(5,3){100}}% % single bond at 4 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=-27\relax - \yl@ydiff=22\relax - \putratom{563}{-100}{\@memberb}% % right type only - \put(436,-18){\line(5,-3){100}}% % single bond at 4 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \putratom{563}{-31}{\@memberb}% % right type only - \put(436,-12){\line(1,0){110}}% % double bond at 4 - \put(436,12){\line(1,0){110}}% % double bond at 4 - \else\if\@tmpb B%beta single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \putratom{563}{-31}{\@memberb}% % right type only - {% - \thicklines% - \put(436,0){\line(1,0){110}}% % single bond at 4 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \putratom{563}{-31}{\@memberb}% % right type only - \@ifundefined{dottedline}{% - \put(436,0){\line(1,0){110}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(436,0)(546,0)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(406,0){\setatombondF}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(406,0){\setatombondE}% - }% - \else% - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \putratom{563}{-31}{\@memberb}% % right type only - \put(436,0){\line(1,0){110}}% % single bond at 4 - \fi\fi\fi\fi% - \fi\fi -\else%% no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \putratom{563}{-31}{\@memberb}% % right type only - \put(406,0){\line(1,0){140}}% % single bond at 4 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-37\relax - \yl@ydiff=30\relax - \putratom{563}{42}{\@memberb}% % right type only - {% - \thicklines% - \put(406,0){\line(5,3){120}}% % single bond at 4 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=-37\relax - \yl@ydiff=28\relax - \putratom{563}{-100}{\@memberb}% % right type only - \@ifundefined{dottedline}{% - \put(406,0){\line(5,-3){120}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(406,0)(526,-72)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=-37\relax - \yl@ydiff=28\relax - \putratom{563}{-100}{\@memberb}% % right type only - {% - \thicklines% - \put(406,0){\line(5,-3){120}}% % single bond at 4 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=-37\relax - \yl@ydiff=30\relax - \putratom{563}{42}{\@memberb}% % right type only - \@ifundefined{dottedline}{% - \put(406,0){\line(5,3){120}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(406,0)(526,72)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-37\relax - \yl@ydiff=30\relax - \putratom{563}{42}{\@memberb}% % right type only - \put(406,0){\line(5,3){120}}% % single bond at 4 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=-37\relax - \yl@ydiff=28\relax - \putratom{563}{-100}{\@memberb}% % right type only - \put(406,0){\line(5,-3){120}}% % single bond at 4 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \putratom{563}{-31}{\@memberb}% % right type only - \put(406,-12){\line(1,0){140}}% % double bond at 4 - \put(406,12){\line(1,0){140}}% % double bond at 4 - \else\if\@tmpb B%beta single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \putratom{563}{-31}{\@memberb}% % right type only - {% - \thicklines% - \put(406,0){\line(1,0){140}}% % single bond at 4 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \putratom{563}{-31}{\@memberb}% % right type only - \@ifundefined{dottedline}{% - \put(406,0){\line(1,0){140}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(406,0)(546,0)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(406,0){\setatombondF}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(406,0){\setatombondE}% - }% - \else% - \yl@xdiff=-17\relax - \yl@ydiff=31\relax - \putratom{563}{-31}{\@memberb}% % right type only - \put(406,0){\line(1,0){140}}% % single bond at 4 - \fi\fi\fi\fi% - \fi\fi - \fi}% end of \@hsubstd -\def\@hsubste{% - \if@eclip %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=43\relax - \yl@ydiff=76\relax - \putratom{363}{-402}{\@memberb}% - \put(343,-221){\line(3,-5){63}}%% single bond at 5 (62=>63) - \else\if\@tmpc B%(B) beta - \yl@xdiff=0\relax - \yl@ydiff=41\relax - \putratom{443}{-301}{\@memberb}% % right type - {% - \thicklines% - \put(343,-201){\line(5,-3){100}}% % single bond at 5 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=20\relax - \yl@ydiff=71\relax - \putratom{283}{-402}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(303,-221){\line(0,-1){110}}% % single bond at 5 - }{{\thicklines% - \dottedline{20}(303,-221)(303,-321)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=20\relax - \yl@ydiff=71\relax - \putratom{283}{-402}{\@memberb}% % right type - {% - \thicklines% - \put(303,-221){\line(0,-1){110}}% % single bond at 5 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=0\relax - \yl@ydiff=41\relax - \putratom{443}{-301}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(343,-201){\line(5,-3){100}}% % single bond at 5 - }{{\thicklines% - \dottedline{20}(343,-201)(443,-260)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=0\relax - \yl@ydiff=41\relax - \putratom{443}{-301}{\@memberb}% % right type - \put(343,-201){\line(5,-3){100}}% % single bond at 5 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=20\relax - \yl@ydiff=71\relax - \putratom{283}{-402}{\@memberb}% % right type - \put(303,-221){\line(0,-1){110}}% % single bond at 5 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=22\relax - \yl@ydiff=82\relax - \putratom{363}{-402}{\@memberb} - \put(328,-208){\line(3,-5){63}}% % double bond at 5 (62->63) - \put(306,-224){\line(3,-5){63}}% % double bond at 5 (62->63) - \else\if\@tmpb B%beta single bond - \yl@xdiff=43\relax - \yl@ydiff=76\relax - \putratom{363}{-402}{\@memberb}% - {% - \thicklines% - \put(343,-221){\line(3,-5){63}}%% single bond at 5(62->63) - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=43\relax - \yl@ydiff=76\relax - \putratom{363}{-402}{\@memberb}% - \@ifundefined{dottedline}{% - \put(343,-221){\line(3,-5){63}}% % single bond at 5 (62->63) - }{{\thicklines% - \dottedline{20}(343,-221)(406,-326)}}%1998/10/11 by SF - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(303,-171){\setatombondb}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(303,-171){\setatombondG}% - }% - \else% - \yl@xdiff=43\relax - \yl@ydiff=76\relax - \putratom{363}{-402}{\@memberb}% - \put(343,-221){\line(3,-5){63}}% % single bond at 5(62->63) - \fi\fi\fi\fi% - \fi\fi - \else%no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=9\relax - \yl@ydiff=111\relax - \putratom{363}{-402}{\@memberb}% - \put(303,-171){\line(3,-5){72}}% % single bond at 5 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-20\relax - \yl@ydiff=58\relax - \putratom{443}{-301}{\@memberb}% % right type - {% - \thicklines% - \put(303,-171){\line(5,-3){120}}% % single bond at 5 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=20\relax - \yl@ydiff=81\relax - \putratom{283}{-402}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(303,-171){\line(0,-1){140}}% % single bond at 5 - }{{\thicklines% - \dottedline{20}(303,-171)(303,-321)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=20\relax - \yl@ydiff=81\relax - \putratom{283}{-402}{\@memberb}% % right type - {% - \thicklines% - \put(303,-171){\line(0,-1){140}}% % single bond at 5 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=-20\relax - \yl@ydiff=58\relax - \putratom{443}{-301}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(303,-171){\line(5,-3){120}}% % single bond at 5 - }{{\thicklines% - \dottedline{20}(303,-171)(423,-243)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-20\relax - \yl@ydiff=58\relax - \putratom{443}{-301}{\@memberb}% % right type - \put(303,-171){\line(5,-3){120}}% % single bond at 5 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=20\relax - \yl@ydiff=81\relax - \putratom{283}{-402}{\@memberb}% % right type - \put(303,-171){\line(0,-1){140}}% % single bond at 5 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=3\relax - \yl@ydiff=111\relax - \putratom{363}{-402}{\@memberb}% - \put(310,-168){\line(3,-5){72}}% % double bond at 5 - \put(284,-174){\line(3,-5){72}}% % double bond at 5 - \else\if\@tmpb B%beta single bond - \yl@xdiff=9\relax - \yl@ydiff=111\relax - \putratom{363}{-402}{\@memberb}% - {% - \thicklines% - \put(303,-171){\line(3,-5){72}}% % single bond at 5 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=9\relax - \yl@ydiff=111\relax - \putratom{363}{-402}{\@memberb}% - \@ifundefined{dottedline}{% - \put(303,-171){\line(3,-5){72}}% % single bond at 5 - }{{\thicklines% - \dottedline{20}(303,-171)(375,-291)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(303,-171){\setatombondb}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(303,-171){\setatombondG}% - }% - \else% - \yl@xdiff=9\relax - \yl@ydiff=111\relax - \putratom{363}{-402}{\@memberb}% - \put(303,-171){\line(3,-5){72}}% % single bond at 5 - \fi\fi\fi\fi% - \fi\fi - \fi}% end of \@hsubste -\def\@hsubstf{% - \if@fclip %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=43\relax - \yl@ydiff=76\relax - \putlratom{-27}{-402}{\@memberb}% - \put(79,-221){\line(-3,-5){63}}% % single bond at 6 (62=>63) - \else\if\@tmpc B%(B) beta - \yl@xdiff=-10\relax - \yl@ydiff=40\relax - \putlatom{-31}{-301}{\@memberb}% % right type - {% - \thicklines% - \put(59,-201){\line(-5,-3){100}}% % single bond at 6 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=20\relax - \yl@ydiff=81\relax - \putratom{83}{-402}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(103,-221){\line(0,-1){100}}% % single bond at 6 - }{{\thicklines% - \dottedline{20}(103,-221)(103,-321)}}% - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=20\relax - \yl@ydiff=81\relax - \putratom{83}{-402}{\@memberb}% % right type - {% - \thicklines% - \put(103,-221){\line(0,-1){100}}% % single bond at 6 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=-10\relax - \yl@ydiff=40\relax - \putlatom{-31}{-301}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(59,-201){\line(-5,-3){100}}% % single bond at 6 - }{{\thicklines% - \dottedline{20}(59,-201)(-41,-261)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-10\relax - \yl@ydiff=40\relax - \putlatom{-31}{-301}{\@memberb}% % right type - \put(59,-201){\line(-5,-3){100}}% % single bond at 6 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=20\relax - \yl@ydiff=81\relax - \putratom{83}{-402}{\@memberb}% % right type - \put(103,-221){\line(0,-1){100}}% % single bond at 6 - \fi\fi\fi\fi\fi - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=49\relax - \yl@ydiff=82\relax - \putlratom{-27}{-402}{\@memberb}% - \put(78,-208){\line(-3,-5){63}}% % double bond at 6 (62->63) - \put(106,-219){\line(-3,-5){63}}% % double bond at 6 (62->63) - \else\if\@tmpb B%beta single bond - \yl@xdiff=43\relax - \yl@ydiff=76\relax - \putlratom{-27}{-402}{\@memberb}% - {% - \thicklines% - \put(79,-221){\line(-3,-5){63}}% % single bond at 6 (62=>63) - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=43\relax - \yl@ydiff=76\relax - \putlratom{-27}{-402}{\@memberb}% - \@ifundefined{dottedline}{% - \put(79,-221){\line(-3,-5){63}}% single bond at 6 (62=>63) - }{{\thicklines% - \dottedline{20}(79,-221)(16,-326)}}%1998/10/11 by SF - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(103,-171){\setatombondE}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusetrue - \put(103,-171){\setatombondh}% - }% - \else% - \yl@xdiff=43\relax - \yl@ydiff=76\relax - \putlratom{-27}{-402}{\@memberb}% - \put(79,-221){\line(-3,-5){63}}% % single bond at 6(62->63) - \fi\fi\fi\fi% - \fi\fi - \else%%no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=59\relax - \yl@ydiff=111\relax - \putlratom{-27}{-402}{\@memberb}% - \put(108,-171){\line(-3,-5){72}}% % single bond at 6 - \else\if\@tmpc B%beta single bond%1998/10/11 by S. Fujita - \yl@xdiff=8\relax - \yl@ydiff=58\relax - \putlatom{-31}{-301}{\@memberb}% % right type - {% - \thicklines% - \put(103,-171){\line(-5,-3){120}}% % single bond at 6 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=20\relax - \yl@ydiff=91\relax - \putratom{83}{-402}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(103,-171){\line(0,-1){140}}% % single bond at 6 - }{{\thicklines% - \dottedline{20}(103,-171)(103,-311)}}%1998/10/17 by SF - \else\if\@tmpc u%(u) up --- (B) beta - \yl@xdiff=20\relax - \yl@ydiff=91\relax - \putratom{83}{-402}{\@memberb}% % right type - {% - \thicklines% - \put(103,-171){\line(0,-1){140}}% % single bond at 6 - }% - \else\if\@tmpc d%(d) down --- (A) alpha - \yl@xdiff=8\relax - \yl@ydiff=58\relax - \putlatom{-31}{-301}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(103,-171){\line(-5,-3){120}}% % single bond at 6 - }{{\thicklines% - \dottedline{20}(103,-171)(-17,-243)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=8\relax - \yl@ydiff=58\relax - \putlatom{-31}{-301}{\@memberb}% % right type - \put(103,-171){\line(-5,-3){120}}% % single bond at 6 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=20\relax - \yl@ydiff=91\relax - \putratom{83}{-402}{\@memberb}% % right type - \put(103,-171){\line(0,-1){140}}% % single bond at 6 - \fi\fi\fi\fi\fi% - \fi\fi - \else\if\@tmpb D%double bond - \yl@xdiff=65\relax - \yl@ydiff=111\relax - \putlratom{-27}{-402}{\@memberb}% - \put(96,-168){\line(-3,-5){72}}% % double bond at 6 - \put(121,-174){\line(-3,-5){72}}% % double bond at 6 - \else\if\@tmpb B%beta single bond - \yl@xdiff=59\relax - \yl@ydiff=111\relax - \putlratom{-27}{-402}{\@memberb}% - \put(108,-171){\line(-3,-5){72}}% % single bond at 6 - {% - \thicklines% - \put(108,-171){\line(-3,-5){72}}% % single bond at 6 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=59\relax - \yl@ydiff=111\relax - \putlratom{-27}{-402}{\@memberb}% - \@ifundefined{dottedline}{% - \put(108,-171){\line(-3,-5){72}}% % single bond at 6 - }{{\thicklines% - \dottedline{20}(103,-171)(31,-291)}}% - \else\if\@tmpb F%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(103,-171){\setatombondE}% - }% - \else\if\@tmpb G%fused bond - {\let\@tmpb=\@tmpc\@clipfusefalse - \put(103,-171){\setatombondh}% - }% - \else% - \yl@xdiff=59\relax - \yl@ydiff=111\relax - \putlratom{-27}{-402}{\@memberb}% - \put(108,-171){\line(-3,-5){72}}% % single bond at 6 - \fi\fi\fi\fi% - \fi\fi - \fi}% end of \@hsubstf -\def\setsixringh#1#2#3#4#5{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifnum#5 < 0\relax% -\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax% -\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax \fi -\ifnum\@tmpaa >#3\relax% -\ifnum\@tmpaa <#4\relax% -\ifcase\@tmpaa%0 omit - \or\@hsubsta% subst. on 1 - \or\@hsubstb% subst. on 2 - \or\@hsubstc% subst. on 3 - \or\@hsubstd% subst. on 4 - \or\@hsubste% subst. on 5 - \or\@hsubstf% subst. on 6 -\fi%end of ifcase -\fi\fi\fi\fi}}% %end of setsixringh -\newcount\x@ryl -\newcount\y@ryl -\def\ryl{\@ifnextchar({\@ryl}{\@ryl()}} -\def\@ryl(#1)#2{% -\iniatom\iniflag%initialize -\@reset@ylsw% -\def\centeraaa{}% -\x@ryl=0\y@ryl=0 -\@forsemicol\member:=#1\do{% -\if@ylsw% -\XyMTeXWarning{Duplicated items in the first augument of \string\ryl}% -\else% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\settowidth{\dimen0}{\@memberb}% -\x@ryl=\dimen0%%%dimension => counter -\divide\x@ryl\unitlength -\advance\x@ryl by-70 -\y@ryl=0 -\ifcase\@tmpa% -\def\centeraaa{\@memberb}\@ylswtrue -\advance\y@ryl by50 -\or%1 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by30 -\advance\y@ryl by50 -\or%2 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by40 -\advance\y@ryl by40 -\or%3 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by50 -\advance\y@ryl by30 -\or%4 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by50 -\advance\y@ryl by0 -\or%5 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by50 -\advance\y@ryl by-30 -\or%6 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by50 -\advance\y@ryl by-50 -\or%7 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by30 -\advance\y@ryl by-50 -\or%8 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\y@ryl by-50 -\fi -\fi\fi}% - \yl@shiftii=\x@ryl - \yl@shifti=-\y@ryl - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) -\ifx\centeraaa\empty\else% - \@clipfusetrue - \putlatom{40}{-30}{\centeraaa}% % left type -\fi% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifcase\@tmpa% -\setatombonda% 0 (upward) (0,1) -\or\setatombondF%1 (3,5) -\or\setatombondA%2 (1,1) -\or\setatombondf%3 (5,3) -\or\setatombondb%4 (1,0) -\or\setatombonde%5 (5,-3) -\or\setatombondB%6 (1,-1) -\or\setatombondE%7 (3,-5) -\or\setatombondc%8 (0,-1) -\fi%end of ifcase -\fi -}\end{picture}}% %end of \ryl macro -\def\setatombondF{%% (3,5) - \if@clipfuse% - \if\@tmpb B%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - {% - \thicklines% - \put(30,50){\line(3,5){60}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - \@ifundefined{dottedline}{% - \put(30,50){\line(3,5){60}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(30,50)(90,150)}}% - \else\if\@tmpb U%unspecified single bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - \put(30,50){\line(3,5){60}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - \put(30,50){\line(3,5){60}}% % single bond at 1 - \else\if\@tmpb D%double bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - \put(40,44){\line(3,5){60}}% % single bond at 1 - \put(20,56){\line(3,5){60}}% % single bond at 1 - \else\if\@tmpb T%triple bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - \put(45,41){\line(3,5){60}}% % single bond at 1 - \put(30,50){\line(3,5){60}}% % single bond at 1 - \put(15,59){\line(3,5){60}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - \put(30,50){\line(3,5){60}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{80}{160}{\@memberb}% % right type - \else%no clipping - \if\@tmpb B%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - {% - \thicklines% - \put(0,0){\line(3,5){90}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - \@ifundefined{dottedline}{% - \put(0,0){\line(3,5){90}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(90,150)}}% - \else\if\@tmpb U%unspecified single bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - \put(0,0){\line(3,5){90}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - \put(0,0){\line(3,5){90}}% % single bond at 1 - \else\if\@tmpb D%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - \put(10,-6){\line(3,5){90}}% % single bond at 1 - \put(-10,6){\line(3,5){90}}% % single bond at 1 - \else\if\@tmpb T%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - \put(15,-9){\line(3,5){90}}% % single bond at 1 - \put(0,0){\line(3,5){90}}% % single bond at 1 - \put(-15,9){\line(3,5){90}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=-10\relax - \put(0,0){\line(3,5){90}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{80}{160}{\@memberb}% % right type - \fi% -}% end of \setatombondF -\def\setatombondE{%% (3,-5) - \if@clipfuse% - \yl@xdiff=10\relax - \yl@ydiff=70\relax - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(30,-50){\line(3,-5){60}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(30,-50){\line(3,-5){60}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(30,-50)(90,-150)}}% - \else\if\@tmpb U%unspecified single bond - \put(30,-50){\line(3,-5){60}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(30,-50){\line(3,-5){60}}% % single bond at 1 - \else\if\@tmpb D%double bond - \put(40,-44){\line(3,-5){60}}% % single bond at 1 - \put(20,-56){\line(3,-5){60}}% % single bond at 1 - \else\if\@tmpb T%triple bond - \put(45,-41){\line(3,-5){60}}% % single bond at 1 - \put(30,-50){\line(3,-5){60}}% % single bond at 1 - \put(15,-59){\line(3,-5){60}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(30,-50){\line(3,-5){60}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{80}{-220}{\@memberb}% % right type - \else%no clipping - \yl@xdiff=10\relax - \yl@ydiff=70\relax - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(0,0){\line(3,-5){90}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(0,0){\line(3,-5){90}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(90,-150)}}% - \else\if\@tmpb U%unspecified single bond - \put(0,0){\line(3,-5){90}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(0,0){\line(3,-5){90}}% % single bond at 1 - \else\if\@tmpb D%beta single bond - \put(10,6){\line(3,-5){90}}% % single bond at 1 - \put(-10,-6){\line(3,-5){90}}% % single bond at 1 - \else\if\@tmpb T%beta single bond - \put(15,9){\line(3,-5){90}}% % single bond at 1 - \put(0,0){\line(3,-5){90}}% % single bond at 1 - \put(-15,-9){\line(3,-5){90}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(0,0){\line(3,-5){90}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{80}{-220}{\@memberb}% % right type - \fi% -}% end of \setatombondE -\def\setatombondA{%% (1,1) - \yl@xdiff=0\relax - \yl@ydiff=0\relax - \if@clipfuse% - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(40,40){\line(1,1){100}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(40,40){\line(1,1){100}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(40,40)(140,140)}}% - \else\if\@tmpb U%unspecified single bond - \put(40,40){\line(1,1){100}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(40,40){\line(1,1){100}}% % single bond at 1 - \else\if\@tmpb D%double bond - \put(46,36){\line(1,1){100}}% % single bond at 1 - \put(36,46){\line(1,1){100}}% % single bond at 1 - \else\if\@tmpb T%triple bond - \put(50,30){\line(1,1){100}}% % single bond at 1 - \put(40,40){\line(1,1){100}}% % single bond at 1 - \put(30,50){\line(1,1){100}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(40,40){\line(1,1){100}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{140}{140}{\@memberb}% % right type - \else%no clipping - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(0,0){\line(1,1){120}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(0,0){\line(1,1){120}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(120,120)}}% - \else\if\@tmpb U%unspecified single bond - \put(0,0){\line(1,1){120}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(0,0){\line(1,1){120}}% % single bond at 1 - \else\if\@tmpb D%beta single bond - \put(6,-6){\line(1,1){120}}% % single bond at 1 - \put(-6,6){\line(1,1){120}}% % single bond at 1 - \else\if\@tmpb T%beta single bond - \put(10,-10){\line(1,1){120}}% % single bond at 1 - \put(0,0){\line(1,1){120}}% % single bond at 1 - \put(-10,10){\line(1,1){120}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(0,0){\line(1,1){120}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{120}{120}{\@memberb}% % right type - \fi% -}% end of \setatombondA -\def\setatombondB{%% (1,-1) - \if@clipfuse% - \yl@xdiff=0\relax - \yl@ydiff=60\relax - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(40,-40){\line(1,-1){100}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(40,-40){\line(1,-1){100}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(40,-40)(140,-140)}}% - \else\if\@tmpb U%unspecified single bond - \put(40,-40){\line(1,-1){100}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(40,-40){\line(1,-1){100}}% % single bond at 1 - \else\if\@tmpb D%double bond - \put(46,-36){\line(1,-1){100}}% % single bond at 1 - \put(36,-46){\line(1,-1){100}}% % single bond at 1 - \else\if\@tmpb T%triple bond - \put(50,-30){\line(1,-1){100}}% % single bond at 1 - \put(40,-40){\line(1,-1){100}}% % single bond at 1 - \put(30,-50){\line(1,-1){100}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(40,-40){\line(1,-1){100}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{140}{-200}{\@memberb}% % right type - \else%no clipping - \yl@xdiff=0\relax - \yl@ydiff=60\relax - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(0,0){\line(1,-1){120}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(0,0){\line(1,-1){120}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(120,-120)}}% - \else\if\@tmpb U%unspecified single bond - \put(0,0){\line(1,-1){120}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(0,0){\line(1,-1){120}}% % single bond at 1 - \else\if\@tmpb D%beta single bond - \put(6,6){\line(1,-1){120}}% % single bond at 1 - \put(-6,-6){\line(1,-1){120}}% % single bond at 1 - \else\if\@tmpb T%beta single bond - \put(10,10){\line(1,-1){120}}% % single bond at 1 - \put(0,0){\line(1,-1){120}}% % single bond at 1 - \put(-10,-10){\line(1,-1){120}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(0,0){\line(1,-1){120}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putratom{120}{-180}{\@memberb}% % right type - \fi% -}% end of \setatombondB -\def\lyl{\@ifnextchar({\@lyl}{\@lyl()}} -\def\@lyl(#1)#2{% -\iniatom\iniflag%initialize -\@reset@ylsw% -\def\centeraaa{}% -\x@ryl=0\y@ryl=0 -\@forsemicol\member:=#1\do{% -\if@ylsw% -\XyMTeXWarning{Duplicated items in the first augument of \string\ryl}% -\else% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\settowidth{\dimen0}{\@memberb}% -\x@ryl=\dimen0%%%dimension => counter -\divide\x@ryl\unitlength -\advance\x@ryl by-80 -\y@ryl=0 -\ifcase\@tmpa% -\def\centeraaa{\@memberb}\@ylswtrue -\advance\y@ryl by50 -\or%1 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by30 -\advance\y@ryl by50 -\or%2 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by40 -\advance\y@ryl by40 -\or%3 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by50 -\advance\y@ryl by30 -\or%4 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by50 -\advance\y@ryl by0 -\or%5 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by50 -\advance\y@ryl by-30 -\or%6 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by50 -\advance\y@ryl by-50 -\or%7 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\x@ryl by30 -\advance\y@ryl by-50 -\or%8 -\def\centeraaa{\@memberb}\@ylswtrue -\advance\y@ryl by-50 -\fi -\fi\fi}% - \yl@shiftii=-\x@ryl - \yl@shifti=-\y@ryl - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) -\ifx\centeraaa\empty\else% - \@clipfusetrue - \putratom{-40}{-30}{\centeraaa}% % right type -\fi% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifcase\@tmpa% -\setatombonda% 0 (upward) (0,1) -\or\setatombondD%1 (-3,5) -\or\setatombondH%2 (-1,1) -\or\setatombondd%3 (-5,3) -\or\setatombondh%4 (-1,0) -\or\setatombondg%5 (-5,-3) -\or\setatombondC%6 (-1,-1) -\or\setatombondG%7 (-3,-5) -\or\setatombondc%8 (0,-1) -\fi%end of ifcase -\fi -}\end{picture}}% %end of \lyl macro -\def\setatombondD{%% (-3,5) - \if@clipfuse% - \if\@tmpb B%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - {% - \thicklines% - \put(-30,50){\line(-3,5){60}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - \@ifundefined{dottedline}{% - \put(-30,50){\line(-3,5){60}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(-30,50)(-90,150)}}% - \else\if\@tmpb U%unspecified single bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - \put(-30,50){\line(-3,5){60}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - \put(-30,50){\line(-3,5){60}}% % single bond at 1 - \else\if\@tmpb D%double bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - \put(-40,44){\line(-3,5){60}}% % single bond at 1 - \put(-20,56){\line(-3,5){60}}% % single bond at 1 - \else\if\@tmpb T%triple bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - \put(-45,41){\line(-3,5){60}}% % single bond at 1 - \put(-30,50){\line(-3,5){60}}% % single bond at 1 - \put(-15,59){\line(-3,5){60}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - \put(-30,50){\line(-3,5){60}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-80}{160}{\@memberb}% % left type - \else%no clipping - \if\@tmpb B%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - {% - \thicklines% - \put(0,0){\line(-3,5){90}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - \@ifundefined{dottedline}{% - \put(0,0){\line(-3,5){90}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(-90,150)}}% - \else\if\@tmpb U%unspecified single bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - \put(0,0){\line(-3,5){90}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - \put(0,0){\line(-3,5){90}}% % single bond at 1 - \else\if\@tmpb D%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - \put(-10,-6){\line(-3,5){90}}% % single bond at 1 - \put(10,6){\line(-3,5){90}}% % single bond at 1 - \else\if\@tmpb T%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - \put(-15,-9){\line(-3,5){90}}% % single bond at 1 - \put(0,0){\line(-3,5){90}}% % single bond at 1 - \put(15,9){\line(-3,5){90}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=-10\relax - \put(0,0){\line(-3,5){90}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-80}{160}{\@memberb}% % left type - \fi% -}% end of \setatombondD -\def\setatombondG{%% (-3,-5) - \if@clipfuse% - \yl@xdiff=-10\relax - \yl@ydiff=70\relax - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(-30,-50){\line(-3,-5){60}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(-30,-50){\line(-3,-5){60}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(-30,-50)(-90,-150)}}% - \else\if\@tmpb U%unspecified single bond - \put(-30,-50){\line(-3,-5){60}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(-30,-50){\line(-3,-5){60}}% % single bond at 1 - \else\if\@tmpb D%double bond - \put(-40,-44){\line(-3,-5){60}}% % single bond at 1 - \put(-20,-56){\line(-3,-5){60}}% % single bond at 1 - \else\if\@tmpb T%triple bond - \put(-45,-41){\line(-3,-5){60}}% % single bond at 1 - \put(-30,-50){\line(-3,-5){60}}% % single bond at 1 - \put(-15,-59){\line(-3,-5){60}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(-30,-50){\line(-3,-5){60}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-80}{-220}{\@memberb}% % left type - \else%no clipping - \yl@xdiff=-10\relax - \yl@ydiff=70\relax - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(0,0){\line(-3,-5){90}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(0,0){\line(-3,-5){90}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(-90,-150)}}% - \else\if\@tmpb U%unspecified single bond - \put(0,0){\line(-3,-5){90}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(0,0){\line(-3,-5){90}}% % single bond at 1 - \else\if\@tmpb D%beta single bond - \put(-10,6){\line(-3,-5){90}}% % single bond at 1 - \put(10,-6){\line(-3,-5){90}}% % single bond at 1 - \else\if\@tmpb T%beta single bond - \put(-15,9){\line(-3,-5){90}}% % single bond at 1 - \put(0,0){\line(-3,-5){90}}% % single bond at 1 - \put(15,-9){\line(-3,-5){90}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(0,0){\line(-3,-5){90}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-80}{-220}{\@memberb}% % left type - \fi% -}% end of \setatombondG -\def\setatombondH{%% (-1,1) - \yl@xdiff=0\relax - \yl@ydiff=0\relax - \if@clipfuse% - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(-40,40){\line(-1,1){100}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(-40,40){\line(-1,1){100}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(-40,40)(-140,140)}}% - \else\if\@tmpb U%unspecified single bond - \put(-40,40){\line(-1,1){100}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(-40,40){\line(-1,1){100}}% % single bond at 1 - \else\if\@tmpb D%double bond - \put(-46,36){\line(-1,1){100}}% % single bond at 1 - \put(-36,46){\line(-1,1){100}}% % single bond at 1 - \else\if\@tmpb T%triple bond - \put(-50,30){\line(-1,1){100}}% % single bond at 1 - \put(-40,40){\line(-1,1){100}}% % single bond at 1 - \put(-30,50){\line(-1,1){100}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(-40,40){\line(-1,1){100}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-140}{140}{\@memberb}% % left type - \else%no clipping - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(0,0){\line(-1,1){120}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(0,0){\line(-1,1){120}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(-120,120)}}% - \else\if\@tmpb U%unspecified single bond - \put(0,0){\line(-1,1){120}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(0,0){\line(-1,1){120}}% % single bond at 1 - \else\if\@tmpb D%beta single bond - \put(-6,-6){\line(-1,1){120}}% % single bond at 1 - \put(6,6){\line(-1,1){120}}% % single bond at 1 - \else\if\@tmpb T%beta single bond - \put(-10,-10){\line(-1,1){120}}% % single bond at 1 - \put(0,0){\line(-1,1){120}}% % single bond at 1 - \put(10,10){\line(-1,1){120}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(0,0){\line(-1,1){120}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-120}{120}{\@memberb}% % left type - \fi% -}% end of \setatombondH -\def\setatombondC{%% (-1,-1) - \if@clipfuse% - \yl@xdiff=0\relax - \yl@ydiff=60\relax - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(-40,-40){\line(-1,-1){100}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(-40,-40){\line(-1,-1){100}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(-40,-40)(-140,-140)}}% - \else\if\@tmpb U%unspecified single bond - \put(-40,-40){\line(-1,-1){100}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(-40,-40){\line(-1,-1){100}}% % single bond at 1 - \else\if\@tmpb D%double bond - \put(-46,-36){\line(-1,-1){100}}% % single bond at 1 - \put(-36,-46){\line(-1,-1){100}}% % single bond at 1 - \else\if\@tmpb T%triple bond - \put(-50,-30){\line(-1,-1){100}}% % single bond at 1 - \put(-40,-40){\line(-1,-1){100}}% % single bond at 1 - \put(-30,-50){\line(-1,-1){100}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(-40,-40){\line(-1,-1){100}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-140}{-200}{\@memberb}% % left type - \else%no clipping - \yl@xdiff=0\relax - \yl@ydiff=60\relax - \if\@tmpb B%beta single bond - {% - \thicklines% - \put(0,0){\line(-1,-1){120}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \@ifundefined{dottedline}{% - \put(0,0){\line(-1,-1){120}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,0)(-120,-120)}}% - \else\if\@tmpb U%unspecified single bond - \put(0,0){\line(-1,-1){120}}% % single bond at 1 - \else\if\@tmpb S%beta single bond - \put(0,0){\line(-1,-1){120}}% % single bond at 1 - \else\if\@tmpb D%beta single bond - \put(-6,6){\line(-1,-1){120}}% % single bond at 1 - \put(6,-6){\line(-1,-1){120}}% % single bond at 1 - \else\if\@tmpb T%beta single bond - \put(-10,10){\line(-1,-1){120}}% % single bond at 1 - \put(0,0){\line(-1,-1){120}}% % single bond at 1 - \put(10,-10){\line(-1,-1){120}}% % single bond at 1 - \else\ifx\@tmpb\empty%beta single bond - \put(0,0){\line(-1,-1){120}}% % single bond at 1 - \fi\fi\fi\fi\fi\fi\fi% - \putlatom{-120}{-180}{\@memberb}% % left type - \fi% -}% end of \setatombondC -\def\ayl{\@ifnextchar({\@ayl@}{\@ayl@(10,40)}} -\def\@ayl@(#1,#2)#3{\begingroup\yl@xdiff=0 \yl@ydiff=0% -\kern#1\unitlength\raise#2\unitlength\hbox to0pt{#3\hss}% -\endgroup} -\def\upnobond#1#2{% -\hbox{\hbox to0.72em{\hss#1\hss}\kern-0.72em\raise2.2ex\hbox{#2}}} -\def\downnobond#1#2{% -\hbox{\hbox to0.72em{\hss#1\hss}\kern-0.72em\lower2.2ex\hbox{#2}}} -\def\test@vertix#1{% - \expandafter\def\csname #1#1#1\endcsname{@}% - \if\@tmpb h\relax - \expandafter\def\csname #1#1#1\endcsname{@}% - \else\if\@tmpb s\relax - \expandafter\def\csname #1#1#1\endcsname{}% - \fi\fi} -\def\test@vertix@sixv#1#2#3#4#5#6#7{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoCH@R\@membera//% -\ifcase\@tmpa% - \or \test@vertix{#2}% - \or \test@vertix{#3}% - \or \test@vertix{#4}% - \or - \if\@tmpb a% - \def\iii{@}% - \else - \test@vertix{#5}% - \fi - \or \test@vertix{#6}% - \or \test@vertix{#7}% -\fi\fi}}% end of \test@vertix@sixv -%% \changes{v2.00}{1996/11/14}{@ in place of a net value} -\def\set@hetatom@sixv#1#2#3#4#5{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifnum#5 < 0\relax% -\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax% -\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax \fi -\ifnum\@tmpaa >#3\relax% -\ifnum\@tmpaa <#4\relax% -\ifcase\@tmpaa% -\or%position 1 - \if\@tmpb h\relax - \@acliptrue% - \putratom{0}{356}{\@memberb}% % right type - \else\if\@tmpb s\relax - \@aclipfalse% - \putratom{0}{406}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@acliptrue% - \putratom{-31}{356}{\@memberb}% % right type - \fi\fi\fi -\or%position 2 - \if\@tmpb h\relax - \@bcliptrue% - \putratom{135}{280}{\@memberb}% % right type - \else\if\@tmpb s\relax - \@bclipfalse% - \putratom{175}{303}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@bcliptrue% - \putratom{135}{280}{\@memberb}% % right type - \fi\fi\fi -\or%position 3 - \if\@tmpb h\relax - \@ccliptrue% - \putratom{135}{95}{\@memberb}% % right type - \else\if\@tmpb s\relax - \@cclipfalse% - \putratom{175}{103}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@ccliptrue% - \putratom{135}{65}{\@memberb}% % right type - \fi\fi\fi -\or%position 4 - \if\@tmpb h\relax - \@cliptrue% - \putratom{0}{50}{\@memberb}% % right type - \else\if\@tmpb s\relax - \@clipfalse% - \putratom{0}{0}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@cliptrue% - \putratom{-31}{-10}{\@memberb}% % right type - \fi\fi\fi -\or%position 5 - \if\@tmpb h\relax - \@ecliptrue% - \putlatom{-135}{95}{\@memberb}% % right type - \else\if\@tmpb s\relax - \@eclipfalse% - \putlatom{-175}{103}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@ecliptrue% - \putlatom{-135}{65}{\@memberb}% % left type - \fi\fi\fi -\or%position 6 - \if\@tmpb h\relax - \@fcliptrue% - \putlatom{-135}{280}{\@memberb}% % right type - \else\if\@tmpb s\relax - \@fclipfalse% - \putlatom{-175}{303}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@fcliptrue% - \putlatom{-135}{280}{\@memberb}% % left type - \fi\fi\fi -\fi% end of ifcase -\fi\fi\fi}}% end of the macro \set@hetatom@sixv -\def\set@hetatom@sixh#1#2#3#4#5{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoCH@R\@membera//% -\ifnum#5 < 0\relax% -\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax% -\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax \fi -\ifnum\@tmpaa >#3\relax% -\ifnum\@tmpaa <#4\relax% -\ifcase\@tmpaa% -\or%position 1 - \if\@tmpb h\relax - \@acliptrue% - \putlatom{60}{0}{\@memberb}% % left type - \else\if\@tmpb s\relax - \@aclipfalse% - \putlatom{0}{0}{\@memberb}% % left type - \else\if\@tmpb a\relax%omit fused position - \else - \@acliptrue% - \putlatom{60}{-36}{\@memberb}% % left type - \fi\fi\fi -\or%position 2 - \if\@tmpb h\relax - \@bcliptrue% - \putlatom{135}{141}{\@memberb}% % left type - \else\if\@tmpb s\relax - \@bclipfalse% - \putlatom{103}{171}{\@memberb}% % left type - \else\if\@tmpb a\relax%omit fused position - \else - \@bcliptrue% - \putlatom{135}{141}{\@memberb}% % left type - \fi\fi\fi -\or%position 3 - \if\@tmpb h\relax - \@ccliptrue% - \putratom{273}{141}{\@memberb}% % right type - \else\if\@tmpb s\relax - \@cclipfalse% - \putratom{303}{171}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@ccliptrue% - \putratom{273}{141}{\@memberb}% % right type - \fi\fi\fi -\or%position 4 - \if\@tmpb h\relax - \@cliptrue% - \putratom{346}{0}{\@memberb}% % right type - \else\if\@tmpb s\relax - \@clipfalse% - \putratom{406}{0}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@cliptrue% - \putratom{346}{-36}{\@memberb}% % right type - \fi\fi\fi -\or%position 5 - \if\@tmpb h\relax - \@ecliptrue% - \putratom{283}{-131}{\@memberb}% % right type - \else\if\@tmpb s\relax - \@eclipfalse% - \putratom{303}{-171}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@ecliptrue% - \putratom{273}{-211}{\@memberb}% % right type - \fi\fi\fi -\or%position 6 - \if\@tmpb h\relax - \@fcliptrue% - \putlatom{125}{-131}{\@memberb}% % left type - \else\if\@tmpb s\relax - \@fclipfalse% - \putlatom{103}{-171}{\@memberb}% % left type - \else\if\@tmpb a\relax%omit fused position - \else - \@fcliptrue% - \putlatom{135}{-211}{\@memberb}% % left type - \fi\fi\fi -\fi% end of ifcase -\fi\fi\fi}}% end of the macro \set@hetatom@sixh -\def\test@vertix@decav#1#2#3#4#5#6#7{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa% - \or\or\or\or\or\or - \or \test@vertix{#2}% - \or - \if\@tmpb a% - \def\jjj{@}% - \else - \test@vertix{#3}% - \fi - \or \test@vertix{#4}% - \or \test@vertix{#5}% -\fi\fi}} -\def\set@vrtx@fuse#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa% - \or - \or - \or - \or%%%%4 - \if\@tmpb a% - \global\@icliptrue% - \putlatom{207}{65}{\@memberb}% % left type - \else\relax - \fi - \or%5 - \or%6 - \or%7 - \or% - \if\@tmpb a% - \global\@jcliptrue% - \putlatom{207}{280}{\@memberb}% % left type - \else\relax - \fi -\or%9 (= 4a) - \global\@icliptrue% - \putlatom{207}{65}{\@memberb}% % left type -\or%10 (= 8a) - \global\@jcliptrue% - \putlatom{207}{280}{\@memberb}% % left type -\fi\fi}% -}% end of the macro \set@vrtx@fuse -\def\set@vrtx@fuseh#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoCH@R\@membera//% -\ifcase\@tmpa% - \or - \or - \or - \or%%%%4 - \if\@tmpb a% - \global\@icliptrue% - \putratom{273}{-211}{\@memberb}% % right type - \else\relax - \fi - \or%5 - \or%6 - \or%7 - \or% - \if\@tmpb a% - \global\@jcliptrue% - \putlatom{135}{-211}{\@memberb}% % left type - \else\relax - \fi -\or%9 (= 4a) - \ifx\@tmpb\empty - \global\@icliptrue% - \putratom{273}{-211}{\@memberb}% % right type - \else - \XyMTeXWarning{Forbidden spiro ring for the 4a position}% - \fi -\or%10 (= 8a) - \ifx\@tmpb\empty - \global\@jcliptrue% - \putlatom{135}{-211}{\@memberb}% % left type - \else - \XyMTeXWarning{Forbidden spiro ring for the 8a position}% - \fi -\fi\fi}% -}% end of the macro \set@vrtx@fuseh -\def\set@fusionadd@sixv{% - \if\@@tmpa 1\relax% - \putratom{-38}{282}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{60}{253}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{-38}{88}{\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putratom{-90}{253}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{-90}{120}{\@@tmpb}% % right type - \else - \set@fusion@sixv - \fi\fi\fi\fi\fi\fi% -}% -\def\set@fusion@sixv{% -\if\@@tmpa d\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{d, h, or other}% - \else\if\@@tmpa D\relax% - \putlratom{-171}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{D, H, or other}% - \else\if\@@tmpa e\relax% - \putlratom{-171}{103}{\@@tmpb}% % bond fused - \FuseWarning{0}{-200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e, k, or other}% - \else\if\@@tmpa E\relax% - \putlratom{-171}{303}{\@@tmpb}% % bond fused - \FuseWarning{0}{200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E, K, or other}% - \else\if\@@tmpa f\relax% - \putlratom{-171}{303}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{f, j, or other}% - \else\if\@@tmpa F\relax% - \putlratom{0}{406}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{F, J, or other}% - \else\if\@@tmpa a\relax% - \putlratom{0}{406}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a, i, or other}% - \else\if\@@tmpa A\relax% - \putlratom{171}{303}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A, I, or other}% - \else\if\@@tmpa b\relax% - \putlratom{171}{303}{\@@tmpb}% % bond fused - \FuseWarning{0}{200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b, k, or other}% - \else\if\@@tmpa B\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{0}{-200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B, K, or other}% - \else\if\@@tmpa c\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c, e, or other}% - \else\if\@@tmpa C\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C, E, or other}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@sixv -\def\set@fusionadd@sixvi{% - \if\@@tmpa 4\relax% - \putratom{-38}{282}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{60}{253}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 1\relax% - \putratom{-38}{88}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{-90}{253}{\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putratom{-90}{120}{\@@tmpb}% % right type - \else - \set@fusion@sixvi - \fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusionadd@sixvi -\def\set@fusion@sixvi{% - \if\@@tmpa a\relax% - \putlratom{0}{0}{\@@tmpb}% % right type - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a or other}% - \else\if\@@tmpa A\relax% - \putlratom{171}{103}{\@@tmpb}% % right type - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A or other}% - \else\if\@@tmpa b\relax% - \putlratom{171}{103}{\@@tmpb}% % right type - \FuseWarning{0}{-200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b or other}% - \else\if\@@tmpa B\relax% - \putlratom{171}{303}{\@@tmpb}% % right type - \FuseWarning{0}{200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B or other}% - \else\if\@@tmpa c\relax% - \putlratom{171}{303}{\@@tmpb}% % right type - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c or other}% - \else\if\@@tmpa C\relax% - \putlratom{0}{406}{\@@tmpb}% % right type - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C or other}% - \else\if\@@tmpa d\relax% - \putlratom{0}{406}{\@@tmpb}% % right type - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{d or other}% - \else\if\@@tmpa D\relax% - \putlratom{-171}{303}{\@@tmpb}% % right type - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{D or other}% - \else\if\@@tmpa e\relax% - \putlratom{-171}{303}{\@@tmpb}% % right type - \FuseWarning{0}{200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e or other}% - \else\if\@@tmpa E\relax% - \putlratom{-171}{103}{\@@tmpb}% % right type - \FuseWarning{0}{-200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E or other}% - \else\if\@@tmpa f\relax% - \putlratom{-171}{103}{\@@tmpb}% % right type - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{f or other}% - \else\if\@@tmpa F\relax% - \putlratom{0}{0}{\@@tmpb}% % right type - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{F or other}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the marcro \set@fusion@sixvi -\def\set@fusionadd@sixh{% - \if\@@tmpa 4\relax% - \putratom{272}{-18}{\@@tmpb}% % right type - \else\if\@@tmpa 1\relax% - \putratom{68}{-18}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{233}{60}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{120}{60}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{233}{-110}{\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putratom{120}{-110}{\@@tmpb}% % right type - \else - \set@fusion@sixh - \fi\fi\fi\fi\fi\fi% -}% -\def\set@fusion@sixh{% -\if\@@tmpa d\relax% - \putlratom{406}{0}{\@@tmpb}% % bond fused - \FuseWarning{103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{d, h, or other}% - \else\if\@@tmpa D\relax% - \putlratom{303}{-171}{\@@tmpb}% % bond fused - \FuseWarning{-103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{D, H, or other}% - \else\if\@@tmpa e\relax% - \putlratom{303}{-171}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e, k, or other}% - \else\if\@@tmpa E\relax% - \putlratom{103}{-171}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E, K, or other}% - \else\if\@@tmpa f\relax% - \putlratom{103}{-171}{\@@tmpb}% % bond fused - \FuseWarning{103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{f, j, or other}% - \else\if\@@tmpa F\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{-103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{F, J, or other}% - \else\if\@@tmpa a\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{-103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a, i, or other}% - \else\if\@@tmpa A\relax% - \putlratom{103}{171}{\@@tmpb}% % bond fused - \FuseWarning{103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A, I, or other}% - \else\if\@@tmpa b\relax% - \putlratom{103}{171}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b, k, or other}% - \else\if\@@tmpa B\relax% - \putlratom{303}{171}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B, K, or other}% - \else\if\@@tmpa c\relax% - \putlratom{303}{171}{\@@tmpb}% % bond fused - \FuseWarning{-103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c, e, or other}% - \else\if\@@tmpa C\relax% - \putlratom{406}{0}{\@@tmpb}% % bond fused - \FuseWarning{103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C, E, or other}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@sixh -\def\set@fusionadd@sixhi{% - \if\@@tmpa 1\relax% - \putratom{272}{-18}{\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{68}{-18}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{233}{60}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{120}{60}{\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putratom{233}{-110}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{120}{-110}{\@@tmpb}% % right type - \else - \set@fusion@sixhi - \fi\fi\fi\fi\fi\fi% -}% -\def\set@fusion@sixhi{% -\if\@@tmpa F\relax% - \putlratom{406}{0}{\@@tmpb}% % bond fused - \FuseWarning{103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{F, J, or other}% - \else\if\@@tmpa f\relax% - \putlratom{303}{-171}{\@@tmpb}% % bond fused - \FuseWarning{-103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{f, j, or other}% - \else\if\@@tmpa E\relax% - \putlratom{303}{-171}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E, K, or other}% - \else\if\@@tmpa e\relax% - \putlratom{103}{-171}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e, k, or other}% - \else\if\@@tmpa D\relax% - \putlratom{103}{-171}{\@@tmpb}% % bond fused - \FuseWarning{103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{D, H, or other}% - \else\if\@@tmpa d\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{-103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{d, h, or other}% - \else\if\@@tmpa C\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{-103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C, E, or other}% - \else\if\@@tmpa c\relax% - \putlratom{103}{171}{\@@tmpb}% % bond fused - \FuseWarning{103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c, e, or other}% - \else\if\@@tmpa B\relax% - \putlratom{103}{171}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B, K, or other}% - \else\if\@@tmpa b\relax% - \putlratom{303}{171}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b, k, or other}% - \else\if\@@tmpa A\relax% - \putlratom{303}{171}{\@@tmpb}% % bond fused - \FuseWarning{-103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A, I, or other}% - \else\if\@@tmpa a\relax% - \putlratom{406}{0}{\@@tmpb}% % bond fused - \FuseWarning{103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a, i, or other}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@sixhi -\def\UnfavorableFusion#1{\if@smallringsw\else -\XyMTeXWarning{Unfavorable Fusion for bond `#1'}\fi} -\def\ForbiddenFusion#1{\if@smallringsw\else -\XyMTeXWarning{Forbidden Fusion for bond `#1'}\fi} -\def\set@fusion@decav{% - \let\@@tmpa=\@tmpa - \let\@@tmpb=\@tmpb - \if\@tmpa a% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixv}% - \else\if\@tmpa A% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixv}% - \else\if\@tmpa b% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixv}% - \else\if\@tmpa B% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixv}% - \else\if\@tmpa c% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixv}% - \else\if\@tmpa C% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixv}% - \else\if\@tmpa d% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{d}% - \else\if\@tmpa D% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{D}% - \else\if\@tmpa e% - \edef\@@tmpa{c}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{e}% - \else\if\@tmpa E% - \edef\@@tmpa{C}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{E}% - \else\if\@tmpa f% - \edef\@@tmpa{d}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa F% - \edef\@@tmpa{D}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa g% - \edef\@@tmpa{e}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa G% - \edef\@@tmpa{E}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa h% - \edef\@@tmpa{f}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa H% - \edef\@@tmpa{F}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa i% - \edef\@@tmpa{a}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{i}% - \else\if\@tmpa I% - \edef\@@tmpa{A}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{I}% - \else\if\@tmpa j% - \edef\@@tmpa{f}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{j}% - \else\if\@tmpa J% - \edef\@@tmpa{F}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{J}% - \else\if\@tmpa k% - \edef\@@tmpa{e}% - \put(342,0){\set@fusionadd@sixv}% - \ForbiddenFusion{k}% - \else\if\@tmpa K% - \edef\@@tmpa{E}% - \put(342,0){\set@fusionadd@sixv}% - \ForbiddenFusion{K}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@decav -\def\set@fusion@decavb{% - \let\@@tmpa=\@tmpa - \let\@@tmpb=\@tmpb - \if\@tmpa a% - \edef\@@tmpa{b}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa A% - \edef\@@tmpa{B}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa b% - \edef\@@tmpa{c}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa B% - \edef\@@tmpa{C}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa c% - \edef\@@tmpa{d}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa C% - \edef\@@tmpa{D}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa d% - \edef\@@tmpa{e}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{d}% - \else\if\@tmpa D% - \edef\@@tmpa{E}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{D}% - \else\if\@tmpa e% - \edef\@@tmpa{d}% - \put(-171,303){\set@fusionadd@sixv}% - \UnfavorableFusion{e}% - \else\if\@tmpa E% - \edef\@@tmpa{D}% - \put(-171,303){\set@fusionadd@sixv}% - \UnfavorableFusion{E}% - \else\if\@tmpa f% - \edef\@@tmpa{e}% - \put(-171,303){\set@fusionadd@sixv}% - \else\if\@tmpa F% - \edef\@@tmpa{E}% - \put(-171,303){\set@fusionadd@sixv}% - \else\if\@tmpa g% - \edef\@@tmpa{f}% - \put(-171,303){\set@fusionadd@sixv}% - \else\if\@tmpa G% - \edef\@@tmpa{F}% - \put(-171,303){\set@fusionadd@sixv}% - \else\if\@tmpa h% - \edef\@@tmpa{a}% - \put(-171,303){\set@fusionadd@sixv}% - \else\if\@tmpa H% - \edef\@@tmpa{A}% - \put(-171,303){\set@fusionadd@sixv}% - \else\if\@tmpa i% - \edef\@@tmpa{b}% - \put(-171,303){\set@fusionadd@sixv}% - \UnfavorableFusion{i}% - \else\if\@tmpa I% - \edef\@@tmpa{B}% - \put(-171,303){\set@fusionadd@sixv}% - \UnfavorableFusion{I}% - \else\if\@tmpa j% - \edef\@@tmpa{a}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{j}% - \else\if\@tmpa J% - \edef\@@tmpa{A}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{J}% - \else\if\@tmpa k% - \edef\@@tmpa{c}% - \put(-171,303){\set@fusionadd@sixv}% - \ForbiddenFusion{k}% - \else\if\@tmpa K% - \edef\@@tmpa{C}% - \put(-171,303){\set@fusionadd@sixv}% - \ForbiddenFusion{K}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@decavb -\def\set@fusion@decavt{% - \let\@@tmpa=\@tmpa - \let\@@tmpb=\@tmpb - \if\@tmpa a% - \edef\@@tmpa{f}% - \put(171,303){\set@fusionadd@sixv}% - \else\if\@tmpa A% - \edef\@@tmpa{F}% - \put(171,303){\set@fusionadd@sixv}% - \else\if\@tmpa b% - \edef\@@tmpa{a}% - \put(171,303){\set@fusionadd@sixv}% - \else\if\@tmpa B% - \edef\@@tmpa{A}% - \put(171,303){\set@fusionadd@sixv}% - \else\if\@tmpa c% - \edef\@@tmpa{b}% - \put(171,303){\set@fusionadd@sixv}% - \else\if\@tmpa C% - \edef\@@tmpa{B}% - \put(171,303){\set@fusionadd@sixv}% - \else\if\@tmpa d% - \edef\@@tmpa{c}% - \put(171,303){\set@fusionadd@sixv}% - \UnfavorableFusion{d}% - \else\if\@tmpa D% - \edef\@@tmpa{C}% - \put(171,303){\set@fusionadd@sixv}% - \UnfavorableFusion{D}% - \else\if\@tmpa e% - \edef\@@tmpa{b}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{e}% - \else\if\@tmpa E% - \edef\@@tmpa{B}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{E}% - \else\if\@tmpa f% - \edef\@@tmpa{c}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa F% - \edef\@@tmpa{C}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa g% - \edef\@@tmpa{d}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa G% - \edef\@@tmpa{D}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa h% - \edef\@@tmpa{e}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa H% - \edef\@@tmpa{E}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa i% - \edef\@@tmpa{f}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{i}% - \else\if\@tmpa I% - \edef\@@tmpa{F}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{I}% - \else\if\@tmpa j% - \edef\@@tmpa{e}% - \put(171,303){\set@fusionadd@sixv}% - \UnfavorableFusion{j}% - \else\if\@tmpa J% - \edef\@@tmpa{E}% - \put(171,303){\set@fusionadd@sixv}% - \UnfavorableFusion{J}% - \else\if\@tmpa k% - \edef\@@tmpa{d}% - \put(171,303){\set@fusionadd@sixv}% - \ForbiddenFusion{k}% - \else\if\@tmpa K% - \edef\@@tmpa{D}% - \put(171,303){\set@fusionadd@sixv}% - \ForbiddenFusion{K}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of \set@fusion@decavt -\def\set@fusion@decah{% - \let\@@tmpa=\@tmpa - \let\@@tmpb=\@tmpb - \if\@tmpa a% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixh}% - \else\if\@tmpa A% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixh}% - \else\if\@tmpa b% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixh}% - \else\if\@tmpa B% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixh}% - \else\if\@tmpa c% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixh}% - \else\if\@tmpa C% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixh}% - \else\if\@tmpa d% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixh}% - \UnfavorableFusion{d}% - \else\if\@tmpa D% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixh}% - \UnfavorableFusion{D}% - \else\if\@tmpa e% - \edef\@@tmpa{c}% - \put(0,-342){\set@fusionadd@sixh}% - \UnfavorableFusion{e}% - \else\if\@tmpa E% - \edef\@@tmpa{C}% - \put(0,-342){\set@fusionadd@sixh}% - \UnfavorableFusion{E}% - \else\if\@tmpa f% - \edef\@@tmpa{d}% - \put(0,-342){\set@fusionadd@sixh}% - \else\if\@tmpa F% - \edef\@@tmpa{D}% - \put(0,-342){\set@fusionadd@sixh}% - \else\if\@tmpa g% - \edef\@@tmpa{e}% - \put(0,-342){\set@fusionadd@sixh}% - \else\if\@tmpa G% - \edef\@@tmpa{E}% - \put(0,-342){\set@fusionadd@sixh}% - \else\if\@tmpa h% - \edef\@@tmpa{f}% - \put(0,-342){\set@fusionadd@sixh}% - \else\if\@tmpa H% - \edef\@@tmpa{F}% - \put(0,-342){\set@fusionadd@sixh}% - \else\if\@tmpa i% - \edef\@@tmpa{a}% - \put(0,-342){\set@fusionadd@sixh}% - \UnfavorableFusion{i}% - \else\if\@tmpa I% - \edef\@@tmpa{A}% - \put(0,-342){\set@fusionadd@sixh}% - \UnfavorableFusion{I}% - \else\if\@tmpa j% - \edef\@@tmpa{f}% - \put(0,0){\set@fusionadd@sixh}% - \UnfavorableFusion{j}% - \else\if\@tmpa J% - \edef\@@tmpa{F}% - \put(0,0){\set@fusionadd@sixh}% - \UnfavorableFusion{J}% - \else\if\@tmpa k% - \edef\@@tmpa{e}% - \put(0,0){\set@fusionadd@sixh}% - \ForbiddenFusion{k}% - \else\if\@tmpa K% - \edef\@@tmpa{E}% - \put(0,0){\set@fusionadd@sixh}% - \ForbiddenFusion{K}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@decah -\def\set@fusion@hanthrav{% - \let\@@tmpa=\@tmpa - \let\@@tmpb=\@tmpb - \if\@tmpa a% - \let\@@tmpa=\@tmpa - \put(684,0){\set@fusionadd@sixv}% - \else\if\@tmpa A% - \let\@@tmpa=\@tmpa - \put(684,0){\set@fusionadd@sixv}% - \else\if\@tmpa b% - \let\@@tmpa=\@tmpa - \put(684,0){\set@fusionadd@sixv}% - \else\if\@tmpa B% - \let\@@tmpa=\@tmpa - \put(684,0){\set@fusionadd@sixv}% - \else\if\@tmpa c% - \let\@@tmpa=\@tmpa - \put(684,0){\set@fusionadd@sixv}% - \else\if\@tmpa C% - \let\@@tmpa=\@tmpa - \put(684,0){\set@fusionadd@sixv}% - \else\if\@tmpa d% - \let\@@tmpa=\@tmpa - \put(684,0){\set@fusionadd@sixv}% - \UnfavorableFusion{d}% - \else\if\@tmpa D% - \let\@@tmpa=\@tmpa - \put(684,0){\set@fusionadd@sixv}% - \UnfavorableFusion{D}% - \else\if\@tmpa e% - \edef\@@tmpa{c}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{e}% - \else\if\@tmpa E% - \edef\@@tmpa{C}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{E}% - \else\if\@tmpa f% - \edef\@@tmpa{d}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{f}% - \else\if\@tmpa F% - \edef\@@tmpa{D}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{F}% - \else\if\@tmpa g% - \edef\@@tmpa{c}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{g}% - \else\if\@tmpa G% - \edef\@@tmpa{C}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{G}% - \else\if\@tmpa h% - \edef\@@tmpa{d}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa H% - \edef\@@tmpa{D}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa i% - \edef\@@tmpa{e}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa I% - \edef\@@tmpa{E}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa j% - \edef\@@tmpa{f}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa J% - \edef\@@tmpa{F}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa k% - \edef\@@tmpa{a}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{k}% - \else\if\@tmpa K% - \edef\@@tmpa{A}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{K}% - \else\if\@tmpa l% - \edef\@@tmpa{f}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{l}% - \else\if\@tmpa L% - \edef\@@tmpa{F}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{L}% - \else\if\@tmpa m% - \edef\@@tmpa{a}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{m}% - \else\if\@tmpa M% - \edef\@@tmpa{A}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{M}% - \else\if\@tmpa n% - \edef\@@tmpa{f}% - \put(684,0){\set@fusionadd@sixv}% - \UnfavorableFusion{n}% - \else\if\@tmpa N% - \edef\@@tmpa{F}% - \put(684,0){\set@fusionadd@sixv}% - \UnfavorableFusion{N}% - \else\if\@tmpa o% - \edef\@@tmpa{e}% - \put(684,0){\set@fusionadd@sixv}% - \ForbiddenFusion{o}% - \else\if\@tmpa O% - \edef\@@tmpa{E}% - \put(684,0){\set@fusionadd@sixv}% - \ForbiddenFusion{O}% - \else\if\@tmpa p% - \edef\@@tmpa{e}% - \put(342,0){\set@fusionadd@sixv}% - \ForbiddenFusion{p}% - \else\if\@tmpa P% - \edef\@@tmpa{E}% - \put(342,0){\set@fusionadd@sixv}% - \ForbiddenFusion{P}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@hanthrav -\def\set@fusion@hphenanv{% - \let\@@tmpa=\@tmpa - \let\@@tmpb=\@tmpb - \if\@tmpa a% - \edef\@@tmpa{b}% - \put(513,303){\set@fusionadd@sixv}% - \else\if\@tmpa A% - \edef\@@tmpa{B}% - \put(513,303){\set@fusionadd@sixv}% - \else\if\@tmpa b% - \edef\@@tmpa{a}% - \put(513,303){\set@fusionadd@sixv}% - \else\if\@tmpa B% - \edef\@@tmpa{A}% - \put(513,303){\set@fusionadd@sixv}% - \else\if\@tmpa c% - \edef\@@tmpa{f}% - \put(513,303){\set@fusionadd@sixv}% - \else\if\@tmpa C% - \edef\@@tmpa{F}% - \put(513,303){\set@fusionadd@sixv}% - \else\if\@tmpa d% - \edef\@@tmpa{e}% - \put(513,303){\set@fusionadd@sixv}% - \UnfavorableFusion{d}% - \else\if\@tmpa D% - \edef\@@tmpa{E}% - \put(513,303){\set@fusionadd@sixv}% - \UnfavorableFusion{D}% - \else\if\@tmpa e% - \edef\@@tmpa{f}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{e}% - \else\if\@tmpa E% - \edef\@@tmpa{F}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{E}% - \else\if\@tmpa f% - \edef\@@tmpa{a}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{f}% - \else\if\@tmpa F% - \edef\@@tmpa{A}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{F}% - \else\if\@tmpa g% - \edef\@@tmpa{f}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa G% - \edef\@@tmpa{F}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa h% - \edef\@@tmpa{e}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa H% - \edef\@@tmpa{E}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa i% - \edef\@@tmpa{d}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa I% - \edef\@@tmpa{D}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa j% - \edef\@@tmpa{c}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{j}% - \else\if\@tmpa J% - \edef\@@tmpa{C}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{J}% - \else\if\@tmpa k% - \edef\@@tmpa{d}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{k}% - \else\if\@tmpa K% - \edef\@@tmpa{D}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{K}% - \else\if\@tmpa l% - \edef\@@tmpa{c}% - \put(342,0){\set@fusionadd@sixv}% - \else\if\@tmpa L% - \edef\@@tmpa{C}% - \put(342,0){\set@fusionadd@sixv}% - \else\if\@tmpa m% - \edef\@@tmpa{b}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{m}% - \else\if\@tmpa M% - \edef\@@tmpa{B}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{M}% - \else\if\@tmpa n% - \edef\@@tmpa{c}% - \put(513,303){\set@fusionadd@sixv}% - \UnfavorableFusion{n}% - \else\if\@tmpa N% - \edef\@@tmpa{C}% - \put(513,303){\set@fusionadd@sixv}% - \UnfavorableFusion{N}% - \else\if\@tmpa o% - \edef\@@tmpa{d}% - \put(513,303){\set@fusionadd@sixv}% - \ForbiddenFusion{o}% - \else\if\@tmpa O% - \edef\@@tmpa{D}% - \put(513,303){\set@fusionadd@sixv}% - \ForbiddenFusion{O}% - \else\if\@tmpa p% - \edef\@@tmpa{e}% - \put(342,0){\set@fusionadd@sixv}% - \ForbiddenFusion{p}% - \else\if\@tmpa P% - \edef\@@tmpa{E}% - \put(342,0){\set@fusionadd@sixv}% - \ForbiddenFusion{P}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@hphananv -\def\set@fusionadd@fivev{% - \if\@@tmpa 1\relax% - \putratom{-38}{88}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{60}{233}{\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{-60}{233}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{-60}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 0\relax% - \putratom{-38}{150}{\@@tmpb}% % right type - \else - \set@fusion@fivev - \fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusionadd@fivev -\def\set@fusion@fivev{% - \if\@@tmpa a\relax% - \putlratom{0}{0}{\@@tmpb}% % right type - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{171}{103}{\@@tmpb}% % right type - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa b\relax% - \putlratom{171}{103}{\@@tmpb}% % right type - \FuseWarning{0}{-200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{171}{303}{\@@tmpb}% % right type - \FuseWarning{0}{200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \else\if\@@tmpa c\relax - \XyMTeXWarning{Not-used fusion at bond `c'}% - \else\if\@@tmpa C\relax% - \XyMTeXWarning{Not-used fusion at bond `C'}% - \else\if\@@tmpa d\relax% - \putlratom{-171}{303}{\@@tmpb}% % right type - \FuseWarning{0}{200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{d}% - \else\if\@@tmpa D\relax% - \putlratom{-171}{103}{\@@tmpb}% % right type - \FuseWarning{0}{-200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{D}% - \else\if\@@tmpa e\relax% - \putlratom{-171}{103}{\@@tmpb}% % right type - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e}% - \else\if\@@tmpa E\relax% - \putlratom{0}{0}{\@@tmpb}% % right type - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the marcro \set@fusion@fivev -\def\set@fusionadd@fivevi{% - \if\@@tmpa 1\relax% - \putratom{-38}{282}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{60}{233}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{-60}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{-60}{233}{\@@tmpb}% % right type - \else\if\@@tmpa 0\relax% - \putratom{-38}{213}{\@@tmpb}% % right type - \else - \set@fusion@fivevi - \fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusionadd@fivevi -\def\set@fusion@fivevi{% -\if\@@tmpa d\relax% - \putlratom{-171}{103}{\@@tmpb}% % bond fused - \FuseWarning{0}{-200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{d, k, or other}% - \else\if\@@tmpa D\relax% - \putlratom{-171}{303}{\@@tmpb}% % bond fused - \FuseWarning{0}{200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{D, K, or other}% - \else\if\@@tmpa e\relax% - \putlratom{-171}{303}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e, j, or other}% - \else\if\@@tmpa E\relax% - \putlratom{0}{406}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E, J, or other}% - \else\if\@@tmpa a\relax% - \putlratom{0}{406}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a, i, or other}% - \else\if\@@tmpa A\relax% - \putlratom{171}{303}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A, I, or other}% - \else\if\@@tmpa b\relax% - \putlratom{171}{303}{\@@tmpb}% % bond fused - \FuseWarning{0}{200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b, k, or other}% - \else\if\@@tmpa B\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{0}{-200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B, K, or other}% - \else\if\@@tmpa c\relax - \XyMTeXWarning{Not-used fusion at bond `c'}% - \else\if\@@tmpa C\relax% - \XyMTeXWarning{Not-used fusion at bond `C'}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@fivevi -\def\set@fusionadd@fiveh{% - \if\@@tmpa 1\relax% - \putratom{272}{-18}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{233}{60}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{120}{60}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{233}{-110}{\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{120}{-110}{\@@tmpb}% % right type - \else\if\@@tmpa 0\relax% - \putratom{196}{-30}{\@@tmpb}% % right type - \else - \set@fusion@fiveh - \fi\fi\fi\fi\fi\fi% -}% -\def\set@fusion@fiveh{% -\if\@@tmpa E\relax% - \putlratom{406}{0}{\@@tmpb}% % bond fused - \FuseWarning{103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E, J, or other}% - \else\if\@@tmpa e\relax% - \putlratom{303}{-171}{\@@tmpb}% % bond fused - \FuseWarning{-103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e, j, or other}% - \else\if\@@tmpa D\relax% - \putlratom{303}{-171}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{D, K, or other}% - \else\if\@@tmpa d\relax% - \putlratom{103}{-171}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{d, k, or other}% - \else\if\@@tmpa c\relax - \XyMTeXWarning{Not-used fusion at bond `c'}% - \else\if\@@tmpa C\relax% - \XyMTeXWarning{Not-used fusion at bond `C'}% - \else\if\@@tmpa B\relax% - \putlratom{103}{171}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B, K, or other}% - \else\if\@@tmpa b\relax% - \putlratom{303}{171}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b, k, or other}% - \else\if\@@tmpa A\relax% - \putlratom{303}{171}{\@@tmpb}% % bond fused - \FuseWarning{-103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A, I, or other}% - \else\if\@@tmpa a\relax% - \putlratom{406}{0}{\@@tmpb}% % bond fused - \FuseWarning{103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a, i, or other}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@fiveh -\def\set@fusionadd@fivehi{% - \if\@@tmpa 1\relax% - \putratom{-38}{282}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{60}{233}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{-60}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{-60}{233}{\@@tmpb}% % right type - \else\if\@@tmpa 0\relax% - \putratom{140}{-30}{\@@tmpb}% % right type - \else - \set@fusion@fivehi - \fi\fi\fi\fi\fi\fi% -}% -\def\set@fusion@fivehi{% -\if\@@tmpa d\relax% - \putlratom{303}{-171}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{d, k, or other}% - \else\if\@@tmpa D\relax% - \putlratom{103}{-171}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{D, K, or other}% - \else\if\@@tmpa e\relax% - \putlratom{103}{-171}{\@@tmpb}% % bond fused - \FuseWarning{103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e, j, or other}% - \else\if\@@tmpa E\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{-103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E, J, or other}% - \else\if\@@tmpa a\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{-103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a, i, or other}% - \else\if\@@tmpa A\relax% - \putlratom{103}{171}{\@@tmpb}% % bond fused - \FuseWarning{103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A, I, or other}% - \else\if\@@tmpa b\relax% - \putlratom{103}{171}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b, k, or other}% - \else\if\@@tmpa B\relax% - \putlratom{303}{171}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B, K, or other}% - \else\if\@@tmpa c\relax - \XyMTeXWarning{Not-used fusion at bond `c'}% - \else\if\@@tmpa C\relax% - \XyMTeXWarning{Not-used fusion at bond `C'}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@sixh -\def\set@fusion@nonav{% - \let\@@tmpa=\@tmpa - \let\@@tmpb=\@tmpb - \if\@tmpa a% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixvi}% - \else\if\@tmpa A% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixvi}% - \else\if\@tmpa b% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixvi}% - \else\if\@tmpa B% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixvi}% - \else\if\@tmpa c\relax - \XyMTeXWarning{Not-used fusion at bond `c'}% - \else\if\@tmpa C\relax% - \XyMTeXWarning{Not-used fusion at bond `C'}% - \else\if\@tmpa d% - \edef\@@tmpa{c}% - \put(0,0){\set@fusionadd@sixvi}% - \UnfavorableFusion{d}% - \else\if\@tmpa D% - \edef\@@tmpa{C}% - \put(0,0){\set@fusionadd@sixvi}% - \UnfavorableFusion{D}% - \else\if\@tmpa e% - \edef\@@tmpa{d}% - \put(0,0){\set@fusionadd@sixvi}% - \else\if\@tmpa E% - \edef\@@tmpa{D}% - \put(0,0){\set@fusionadd@sixvi}% - \else\if\@tmpa f% - \edef\@@tmpa{e}% - \put(0,0){\set@fusionadd@sixvi}% - \else\if\@tmpa F% - \edef\@@tmpa{E}% - \put(0,0){\set@fusionadd@sixvi}% - \else\if\@tmpa g% - \edef\@@tmpa{f}% - \put(0,0){\set@fusionadd@sixvi}% - \else\if\@tmpa G% - \edef\@@tmpa{F}% - \put(0,0){\set@fusionadd@sixvi}% - \else\if\@tmpa h% - \edef\@@tmpa{a}% - \put(0,0){\set@fusionadd@sixvi}% - \UnfavorableFusion{h}% - \else\if\@tmpa H% - \edef\@@tmpa{A}% - \put(0,0){\set@fusionadd@sixvi}% - \UnfavorableFusion{H}% - \else\if\@tmpa i% - \edef\@@tmpa{f}% - \put(342,0){\set@fusionadd@sixvi}% - \UnfavorableFusion{i}% - \else\if\@tmpa I% - \edef\@@tmpa{F}% - \put(342,0){\set@fusionadd@sixvi}% - \UnfavorableFusion{I}% - \else\if\@tmpa j% - \edef\@@tmpa{e}% - \put(342,0){\set@fusionadd@sixvi}% - \ForbiddenFusion{j}% - \else\if\@tmpa J% - \edef\@@tmpa{E}% - \put(342,0){\set@fusionadd@sixvi}% - \ForbiddenFusion{J}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@nonav -\def\set@fusion@nonavi{% - \let\@@tmpa=\@tmpa - \let\@@tmpb=\@tmpb - \if\@tmpa a% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixv}% - \else\if\@tmpa A% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixv}% - \else\if\@tmpa b% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixv}% - \else\if\@tmpa B% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixv}% - \else\if\@tmpa c\relax - \XyMTeXWarning{Not-used fusion at bond `c'}% - \else\if\@tmpa C\relax% - \XyMTeXWarning{Not-used fusion at bond `C'}% - \else\if\@tmpa d% - \edef\@@tmpa{c}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{d}% - \else\if\@tmpa D% - \edef\@@tmpa{C}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{D}% - \else\if\@tmpa e% - \edef\@@tmpa{d}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa E% - \edef\@@tmpa{D}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa f% - \edef\@@tmpa{e}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa F% - \edef\@@tmpa{E}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa g% - \edef\@@tmpa{f}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa G% - \edef\@@tmpa{F}% - \put(0,0){\set@fusionadd@sixv}% - \else\if\@tmpa h% - \edef\@@tmpa{a}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{h}% - \else\if\@tmpa H% - \edef\@@tmpa{A}% - \put(0,0){\set@fusionadd@sixv}% - \UnfavorableFusion{H}% - \else\if\@tmpa i% - \edef\@@tmpa{f}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{i}% - \else\if\@tmpa I% - \edef\@@tmpa{F}% - \put(342,0){\set@fusionadd@sixv}% - \UnfavorableFusion{I}% - \else\if\@tmpa j% - \edef\@@tmpa{e}% - \put(342,0){\set@fusionadd@sixv}% - \ForbiddenFusion{j}% - \else\if\@tmpa J% - \edef\@@tmpa{E}% - \put(342,0){\set@fusionadd@sixv}% - \ForbiddenFusion{J}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@nonavi -\def\set@fusion@nonah{% - \let\@@tmpa=\@tmpa - \let\@@tmpb=\@tmpb - \if\@tmpa a% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixhi}% - \else\if\@tmpa A% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixhi}% - \else\if\@tmpa b% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixhi}% - \else\if\@tmpa B% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixhi}% - \else\if\@tmpa c\relax - \XyMTeXWarning{Not-used fusion at bond `c'}% - \else\if\@tmpa C\relax% - \XyMTeXWarning{Not-used fusion at bond `C'}% - \else\if\@tmpa d% - \edef\@@tmpa{c}% - \put(0,-342){\set@fusionadd@sixhi}% - \UnfavorableFusion{d}% - \else\if\@tmpa D% - \edef\@@tmpa{C}% - \put(0,-342){\set@fusionadd@sixhi}% - \UnfavorableFusion{D}% - \else\if\@tmpa e% - \edef\@@tmpa{d}% - \put(0,-342){\set@fusionadd@sixhi}% - \else\if\@tmpa E% - \edef\@@tmpa{D}% - \put(0,-342){\set@fusionadd@sixhi}% - \else\if\@tmpa f% - \edef\@@tmpa{e}% - \put(0,-342){\set@fusionadd@sixhi}% - \else\if\@tmpa F% - \edef\@@tmpa{E}% - \put(0,-342){\set@fusionadd@sixhi}% - \else\if\@tmpa g% - \edef\@@tmpa{f}% - \put(0,-342){\set@fusionadd@sixhi}% - \else\if\@tmpa G% - \edef\@@tmpa{F}% - \put(0,-342){\set@fusionadd@sixhi}% - \else\if\@tmpa h% - \edef\@@tmpa{a}% - \put(0,-342){\set@fusionadd@sixhi}% - \UnfavorableFusion{h}% - \else\if\@tmpa H% - \edef\@@tmpa{A}% - \put(0,-342){\set@fusionadd@sixhi}% - \UnfavorableFusion{H}% - \else\if\@tmpa i% - \edef\@@tmpa{f}% - \put(0,0){\set@fusionadd@sixhi}% - \UnfavorableFusion{i}% - \else\if\@tmpa I% - \edef\@@tmpa{F}% - \put(0,0){\set@fusionadd@sixhi}% - \UnfavorableFusion{I}% - \else\if\@tmpa j% - \edef\@@tmpa{e}% - \put(0,0){\set@fusionadd@sixhi}% - \ForbiddenFusion{j}% - \else\if\@tmpa J% - \edef\@@tmpa{E}% - \put(0,0){\set@fusionadd@sixhi}% - \ForbiddenFusion{J}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@nonah -\def\set@fusion@nonahi{% - \let\@@tmpa=\@tmpa - \let\@@tmpb=\@tmpb - \if\@tmpa a% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixh}% - \else\if\@tmpa A% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixh}% - \else\if\@tmpa b% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixh}% - \else\if\@tmpa B% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixh}% - \else\if\@tmpa c\relax - \XyMTeXWarning{Not-used fusion at bond `c'}% - \else\if\@tmpa C\relax% - \XyMTeXWarning{Not-used fusion at bond `C'}% - \else\if\@tmpa d% - \edef\@@tmpa{c}% - \put(0,-342){\set@fusionadd@sixh}% - \UnfavorableFusion{d}% - \else\if\@tmpa D% - \edef\@@tmpa{C}% - \put(0,-342){\set@fusionadd@sixh}% - \UnfavorableFusion{D}% - \else\if\@tmpa e% - \edef\@@tmpa{d}% - \put(0,-342){\set@fusionadd@sixh}% - \else\if\@tmpa E% - \edef\@@tmpa{D}% - \put(0,-342){\set@fusionadd@sixh}% - \else\if\@tmpa f% - \edef\@@tmpa{e}% - \put(0,-342){\set@fusionadd@sixh}% - \else\if\@tmpa F% - \edef\@@tmpa{E}% - \put(0,-342){\set@fusionadd@sixh}% - \else\if\@tmpa g% - \edef\@@tmpa{f}% - \put(0,-342){\set@fusionadd@sixh}% - \else\if\@tmpa G% - \edef\@@tmpa{F}% - \put(0,-342){\set@fusionadd@sixh}% - \else\if\@tmpa h% - \edef\@@tmpa{a}% - \put(0,-342){\set@fusionadd@sixh}% - \UnfavorableFusion{h}% - \else\if\@tmpa H% - \edef\@@tmpa{A}% - \put(0,-342){\set@fusionadd@sixh}% - \UnfavorableFusion{H}% - \else\if\@tmpa i% - \edef\@@tmpa{f}% - \put(0,0){\set@fusionadd@sixh}% - \UnfavorableFusion{i}% - \else\if\@tmpa I% - \edef\@@tmpa{F}% - \put(0,0){\set@fusionadd@sixh}% - \UnfavorableFusion{I}% - \else\if\@tmpa j% - \edef\@@tmpa{e}% - \put(0,0){\set@fusionadd@sixh}% - \ForbiddenFusion{j}% - \else\if\@tmpa J% - \edef\@@tmpa{E}% - \put(0,0){\set@fusionadd@sixh}% - \ForbiddenFusion{J}% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@nonahi -\endinput -%% -%% End of file `chemstr.sty'. diff --git a/Master/texmf-dist/tex/latex/xymtex/fusering.sty b/Master/texmf-dist/tex/latex/xymtex/fusering.sty deleted file mode 100644 index 07888554b9a..00000000000 --- a/Master/texmf-dist/tex/latex/xymtex/fusering.sty +++ /dev/null @@ -1,2013 +0,0 @@ -%% -%% This is file `fusering.sty', -%% generated with the docstrip utility. -%% -%% The original source files were: -%% -%% fusering.dtx (with options: `fusering') -%% -%% This is a generated file. -%% -%% Copyright 1998 by Shinsaku Fujita -%% -%% This file is part of the XyMTeX system. -%% ======================================= -%% -%% Version 1.02 Released on October 31, 1998 (private version) -%% Version 2.00 Released on December 25, 1998 -%% -%% Copyright (C) 1998 by Shinsaku Fujita, all rights reserved. -%% This style file is created for drawing chemical structural formulas -%% This style file is to be contained in the ``xymtex'' directory which -%% is an input directory for TeX. -%% -%% Copying of this file is authorized only if either -%% -%% (1) you make absolutely no changes to your copy, including name and -%% directory name -%% (2) if you do make changes, -%% (a) you name it something other than the names included in the -%% ``xymtex'' directory and -%% (b) you acknowledge the original name. -%% This restriction ensures that all standard styles are identical. -%% -%% ======================================= -%% -%% This file contains several codes modified from latex.tex (LaTeX2.09) -%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -%% Copyright 1994 the LaTeX3 project and the individual authors (For further -%% copyright information see the file legal.txt of the LaTeX2e standard -%% distribution, and any other copyright indicated in this file.) -%% -%% File: fusering.dtx -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00} -\typeout{ -- Released December 25, 1998 by Shinsaku Fujita} -\def\j@urnalname{methylen} -\def\versi@ndate{December 25, 1998} -\def\versi@nno{ver2.00} -\def\copyrighth@lder{SF} % Shinsaku Fujita -\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>% -\space[\copyrighth@lder]} - -\@ifundefined{setsixringv}{\input chemstr.sty\relax}{} -\@ifundefined{bzdrv}{\input carom.sty\relax}{} -\@ifundefined{hbonde}{\input hetaromh.sty\relax}{} -\@ifundefined{bonde}{\input hetarom.sty\relax}{} -\unitlength=0.1pt -\def\sixfusev{\@ifnextchar({\@six@fusev(@}{\@six@fusev(@)}} -\def\@six@fusev(#1){\@ifnextchar[{\@six@@fusev(#1)[@}% -{\@six@@fusev(#1)[@]}} -\def\@six@@fusev(#1)[#2]#3#4#5{\@ifnextchar[% -{\@sixfusev(#1)[#2]{#3}{#4}{#5}[@}% -{\@sixfusev(#1)[#2]{#3}{#4}{#5}[@]}} -\def\@sixfusev(#1)[#2]#3#4#5[#6]{% -\iniatom\iniflag%initialize% -\test@vertix@sixv{#3}{a}{b}{c}{d}{e}{f}% -\sixfuseposv{#5}% -\if@sixfuseposv - \yl@shiftii=-\fuseAx - \yl@shifti=-\fuseAy - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(800,880)(-\shiftii,-\shifti)% - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `sixfusev' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -{% -\resetbdsw% -\@bond@fuse@omit{#5}{#6}% -\set@skel@bond{#1}{a}{a}% bond between 1 and 2 \@aaa -> \skbonda etc -\set@skel@bond{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc -\set@skel@bond{#1}{c}{c}% bond between 3 and 4 \@ccc -> \skbondc etc -\set@skel@bond{#1}{d}{d}% bond between 4 and 5 \@ddd -> \skbondd etc -\set@skel@bond{#1}{e}{e}% bond between 5 and 6 \@eee -> \skbonde etc -\set@skel@bond{#1}{f}{f}% bond between 6 and 1 \@fff -> \skbondf etc -}% -\@tfor\member:=#2\do{% -\if\member r\relax% -\else\if\member l\relax% -\else\if\member a\relax% - \bonda% -\else\if\member b\relax% - \bondb% -\else\if\member c\relax% - \bondc% -\else\if\member d\relax% - \bondd% -\else\if\member e\relax% - \bonde% -\else\if\member f\relax% - \bondf% -\else\if\member A%left aromatic circle - \put(0,203){\circle{240}}% %circle -\else \expandafter\twoCH@@R\member//% - \set@fusionadd@sixv -\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% -\set@hetatom@sixv{#3}{0}{0}{7}{0}% %atom 1--6% -\setsixringv{#4}{0}{0}{7}{0}% -\end{picture}% -\sixfuseposv{#5}%for FuseWaring when nested -\iniatom\iniflag}% %end of \sixfusev macro -\newif\if@sixfuseposv \@sixfuseposvfalse -\def\fuseAx{0} -\def\fuseAy{0} -\def\fuseBx{0} -\def\fuseBy{0} -\def\sixfuseposv#1{% -\global\@sixfuseposvfalse -{\resetbdsw% -\@tfor\memBer:=#1\do{% -\if\memBer a\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `a'}% - \else - \gdef\fuseAx{0}\gdef\fuseAy{406}% - \gdef\fuseBx{171}\gdef\fuseBy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer A\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `A'}% - \else - \gdef\fuseBx{0}\gdef\fuseBy{406}% - \gdef\fuseAx{171}\gdef\fuseAy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer b\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `b'}% - \else - \gdef\fuseAx{171}\gdef\fuseAy{303}% - \gdef\fuseBx{171}\gdef\fuseBy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer B\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `B'}% - \else - \gdef\fuseBx{171}\gdef\fuseBy{303}% - \gdef\fuseAx{171}\gdef\fuseAy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer c\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `c'}% - \else - \gdef\fuseAx{171}\gdef\fuseAy{103}% - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer C\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `C'}% - \else - \gdef\fuseBx{171}\gdef\fuseBy{103}% - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer d\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `d'}% - \else - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \gdef\fuseBx{-171}\gdef\fuseBy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer D\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `D'}% - \else - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \gdef\fuseAx{-171}\gdef\fuseAy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer e\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `e'}% - \else - \gdef\fuseAx{-171}\gdef\fuseAy{103}% - \gdef\fuseBx{-171}\gdef\fuseBy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer E\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `E'}% - \else - \gdef\fuseBx{-171}\gdef\fuseBy{103}% - \gdef\fuseAx{-171}\gdef\fuseAy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer f\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `f'}% - \else - \gdef\fuseAx{-171}\gdef\fuseAy{303}% - \gdef\fuseBx{0}\gdef\fuseBy{406}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer F\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `F'}% - \else - \gdef\fuseBx{-171}\gdef\fuseBy{303}% - \gdef\fuseAx{0}\gdef\fuseAy{406}% - \global\@sixfuseposvtrue - \fi -\fi}}}% end of the macro \sixfuseposv -\def\@bond@fuse@omit#1#2{% -\ifx#1a\relax\gdef\@aaa{}\fi -\ifx#1b\relax\gdef\@bbb{}\fi -\ifx#1c\relax\gdef\@ccc{}\fi -\ifx#1d\relax\gdef\@ddd{}\fi -\ifx#1e\relax\gdef\@eee{}\fi -\ifx#1f\relax\gdef\@fff{}\fi -\ifx#1A\relax\gdef\@aaa{}\fi -\ifx#1B\relax\gdef\@bbb{}\fi -\ifx#1C\relax\gdef\@ccc{}\fi -\ifx#1D\relax\gdef\@ddd{}\fi -\ifx#1E\relax\gdef\@eee{}\fi -\ifx#1F\relax\gdef\@fff{}\fi -%%%% -\@tfor\memBer:=#2\do{% -\if\memBer a\relax\gdef\@aaa{}% - \ifx#1a\relax - \XyMTeXWarning{Double spec. of bond `a' in FUSE and OMIT}\fi -\fi% -\if\memBer A\relax\gdef\@aaa{}% - \ifx#1a\relax - \XyMTeXWarning{Double spec. of bond `a' in FUSE and OMIT}\fi -\fi% -\if\memBer b\relax\gdef\@bbb{}% - \ifx#1b\relax - \XyMTeXWarning{Double spec. of bond `b' in FUSE and OMIT}\fi -\fi% -\if\memBer B\relax\gdef\@bbb{}% - \ifx#1b\relax - \XyMTeXWarning{Double spec. of bond `b' in FUSE and OMIT}\fi -\fi% -\if\memBer c\relax\gdef\@ccc{}% - \ifx#1c\relax - \XyMTeXWarning{Double spec. of bond `c' in FUSE and OMIT}\fi -\fi% -\if\memBer C\relax\gdef\@ccc{}% - \ifx#1c\relax - \XyMTeXWarning{Double spec. of bond `c' in FUSE and OMIT}\fi -\fi% -\if\memBer d\relax\gdef\@ddd{}% - \ifx#1d\relax - \XyMTeXWarning{Double spec. of bond `d' in FUSE and OMIT}\fi -\fi% -\if\memBer D\relax\gdef\@ddd{}% - \ifx#1d\relax - \XyMTeXWarning{Double spec. of bond `d' in FUSE and OMIT}\fi -\fi% -\if\memBer e\relax\gdef\@eee{}% - \ifx#1e\relax - \XyMTeXWarning{Double spec. of bond `e' in FUSE and OMIT}\fi -\fi% -\if\memBer E\relax\gdef\@eee{}% - \ifx#1e\relax - \XyMTeXWarning{Double spec. of bond `e' in FUSE and OMIT}\fi -\fi% -\if\memBer f\relax\gdef\@fff{}% - \ifx#1f\relax - \XyMTeXWarning{Double spec. of bond `f' in FUSE and OMIT}\fi -\fi% -\if\memBer F\relax\gdef\@fff{}% - \ifx#1f\relax - \XyMTeXWarning{Double spec. of bond `f' in FUSE and OMIT}\fi -\fi% -}}% -\def\sixfusevi{\@ifnextchar({\@six@fusevi(@}{\@six@fusevi(@)}} -\def\@six@fusevi(#1){\@ifnextchar[{\@six@@fusevi(#1)[@}% -{\@six@@fusevi(#1)[@]}} -\def\@six@@fusevi(#1)[#2]#3#4#5{\@ifnextchar[% -{\@sixfusevi(#1)[#2]{#3}{#4}{#5}[@}% -{\@sixfusevi(#1)[#2]{#3}{#4}{#5}[@]}} -\def\@sixfusevi(#1)[#2]#3#4#5[#6]{% -\iniatom\iniflag%initialize% -\test@vertix@sixv{#3}{d}{c}{b}{a}{f}{e}% -\sixfuseposvi{#5}% -\if@sixfuseposv - \yl@shiftii=-\fuseAx - \yl@shifti=-\fuseAy - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(800,880)(-\shiftii,-\shifti)% - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `sixfusev' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -{\resetbdsw% -\@bond@fuse@omit{#5}{#6}% -\set@skel@bond{#1}{a}{c}% bond between 1 and 2 \@aaa -> \skbondc etc -\set@skel@bond{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc -\set@skel@bond{#1}{c}{a}% bond between 3 and 4 \@ccc -> \skbonda etc -\set@skel@bond{#1}{d}{f}% bond between 4 and 5 \@ddd -> \skbondf etc -\set@skel@bond{#1}{e}{e}% bond between 5 and 6 \@eee -> \skbonde etc -\set@skel@bond{#1}{f}{d}% bond between 6 and 1 \@fff -> \skbondd etc -}% -\@tfor\member:=#2\do{% -\if\member r\relax% -\else\if\member l\relax% -\else\if\member a\relax% - \bondc% -\else\if\member b\relax% - \bondb% -\else\if\member c\relax% - \bonda% -\else\if\member d\relax% - \bondf% -\else\if\member e\relax% - \bonde% -\else\if\member f\relax% - \bondd% -\else\if\member A%left aromatic circle - \put(0,203){\circle{240}}% %circle -\else \expandafter\twoCH@@R\member//% - \set@fusionadd@sixvi -\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% -\set@hetatom@sixv{#3}{5}{0}{5}{-1}% %atom 1--4% -\set@hetatom@sixv{#3}{11}{4}{7}{-1}% %atom 5 and 6% -\setsixringv{#4}{5}{0}{5}{-1}% %subst 1--4 -\setsixringv{#4}{11}{4}{7}{-1}% %subst 5 and 6 -\end{picture}% -\sixfuseposvi{#5}%%for FuseWaring when nested -\iniatom\iniflag}% %end of \sixfusevi macro -\def\sixfuseposvi#1{% -\global\@sixfuseposvfalse -{\resetbdsw% -\@tfor\memBer:=#1\do{% -\if\memBer c\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `c'}% - \else - \gdef\fuseBx{0}\gdef\fuseBy{406}% - \gdef\fuseAx{171}\gdef\fuseAy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer C\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `C'}% - \else - \gdef\fuseAx{0}\gdef\fuseAy{406}% - \gdef\fuseBx{171}\gdef\fuseBy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer b\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `b'}% - \else - \gdef\fuseBx{171}\gdef\fuseBy{303}% - \gdef\fuseAx{171}\gdef\fuseAy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer B\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `B'}% - \else - \gdef\fuseAx{171}\gdef\fuseAy{303}% - \gdef\fuseBx{171}\gdef\fuseBy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer a\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `a'}% - \else - \gdef\fuseBx{171}\gdef\fuseBy{103}% - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer A\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `A'}% - \else - \gdef\fuseAx{171}\gdef\fuseAy{103}% - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer f\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `f'}% - \else - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \gdef\fuseAx{-171}\gdef\fuseAy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer F\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `F'}% - \else - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \gdef\fuseBx{-171}\gdef\fuseBy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer e\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `e'}% - \else - \gdef\fuseBx{-171}\gdef\fuseBy{103}% - \gdef\fuseAx{-171}\gdef\fuseAy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer E\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `E'}% - \else - \gdef\fuseAx{-171}\gdef\fuseAy{103}% - \gdef\fuseBx{-171}\gdef\fuseBy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer d\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `d'}% - \else - \gdef\fuseBx{-171}\gdef\fuseBy{303}% - \gdef\fuseAx{0}\gdef\fuseAy{406}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer D\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `D'}% - \else - \gdef\fuseAx{-171}\gdef\fuseAy{303}% - \gdef\fuseBx{0}\gdef\fuseBy{406}% - \global\@sixfuseposvtrue - \fi -\fi% -}}}% end of the macro \sixfuseposvi -\def\sixfuseh{\@ifnextchar({\@six@fuseh(@}{\@six@fuseh(@)}} -\def\@six@fuseh(#1){\@ifnextchar[{\@six@@fuseh(#1)[@}% -{\@six@@fuseh(#1)[@]}} -\def\@six@@fuseh(#1)[#2]#3#4#5{\@ifnextchar[% -{\@sixfuseh(#1)[#2]{#3}{#4}{#5}[@}% -{\@sixfuseh(#1)[#2]{#3}{#4}{#5}[@]}} -\def\@sixfuseh(#1)[#2]#3#4#5[#6]{% -\iniatom\iniflag%initialize% -\test@vrtx@sixh{#3}% -\sixfuseposh{#5}% -\if@sixfuseposv - \yl@shiftii=-\fuseAx - \yl@shifti=-\fuseAy - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(800,880)(-240,-400)% - \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `sixunith' origin: % - (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi% -\fi -{\resetbdsw% -\@bond@fuse@omit{#5}{#6}% -\set@skel@bondh{#1}{a}{a}% bond between 1 and 2 \@aaa -> \hskbonda etc -\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc -\set@skel@bondh{#1}{c}{c}% bond between 3 and 4 \@ccc -> \hskbondc etc -\set@skel@bondh{#1}{d}{d}% bond between 4 and 5 \@ddd -> \hskbondd etc -\set@skel@bondh{#1}{e}{e}% bond between 5 and 6 \@eee -> \hskbonde etc -\set@skel@bondh{#1}{f}{f}% bond between 6 and 1 \@fff -> \hskbondf etc -}% -\@tfor\member:=#2\do{% -\if\member r\relax% -\else \if\member l\relax% -\else \if\member a\relax% - \hbonda% -\else \if\member b\relax% - \hbondb% -\else \if\member c\relax% - \hbondc% -\else \if\member d\relax% - \hbondd% -\else \if\member e\relax% - \hbonde% -\else \if\member f\relax% - \hbondf% -\else \if\member A%left aromatic circle - \put(203,0){\circle{240}}% %circle -\else \expandafter\twoCH@@R\member//% - \set@fusionadd@sixh -\fi\fi\fi\fi\fi\fi\fi\fi\fi}% -\set@hetatom@sixh{#3}{0}{0}{7}{0}% %atom 1--6% -\setsixringh{#4}{0}{0}{7}{0}% -\end{picture}% -\sixfuseposh{#5}%%for FuseWaring when nested -\iniatom\iniflag}% %end of \sixfuseh macro -\def\sixfuseposh#1{% -\global\@sixfuseposvfalse -{\resetbdsw% -\@tfor\memBer:=#1\do{% -\if\memBer a\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `a'}% - \else - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \gdef\fuseBx{103}\gdef\fuseBy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer A\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `A'}% - \else - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \gdef\fuseAx{103}\gdef\fuseAy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer b\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `b'}% - \else - \gdef\fuseAx{103}\gdef\fuseAy{171}% - \gdef\fuseBx{303}\gdef\fuseBy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer B\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `B'}% - \else - \gdef\fuseBx{103}\gdef\fuseBy{171}% - \gdef\fuseAx{303}\gdef\fuseAy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer c\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `c'}% - \else - \gdef\fuseAx{303}\gdef\fuseAy{171}% - \gdef\fuseBx{406}\gdef\fuseBy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer C\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `C'}% - \else - \gdef\fuseBx{303}\gdef\fuseBy{171}% - \gdef\fuseAx{406}\gdef\fuseAy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer d\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `d'}% - \else - \gdef\fuseAx{406}\gdef\fuseAy{0}% - \gdef\fuseBx{303}\gdef\fuseBy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer D\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `D'}% - \else - \gdef\fuseBx{406}\gdef\fuseBy{0}% - \gdef\fuseAx{303}\gdef\fuseAy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer e\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `e'}% - \else - \gdef\fuseAx{303}\gdef\fuseAy{-171}% - \gdef\fuseBx{103}\gdef\fuseBy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer E\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `E'}% - \else - \gdef\fuseBx{303}\gdef\fuseBy{-171}% - \gdef\fuseAx{103}\gdef\fuseAy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer f\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `f'}% - \else - \gdef\fuseAx{103}\gdef\fuseAy{-171}% - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer F\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `F'}% - \else - \gdef\fuseBx{103}\gdef\fuseBy{-171}% - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \global\@sixfuseposvtrue - \fi -\fi}}}% end of the macro \sixfuseposh -\def\sixfusehi{\@ifnextchar({\@six@fusehi(@}{\@six@fusehi(@)}} -\def\@six@fusehi(#1){\@ifnextchar[{\@six@@fusehi(#1)[@}% -{\@six@@fusehi(#1)[@]}} -\def\@six@@fusehi(#1)[#2]#3#4#5{\@ifnextchar[% -{\@sixfusehi(#1)[#2]{#3}{#4}{#5}[@}% -{\@sixfusehi(#1)[#2]{#3}{#4}{#5}[@]}} -\def\@sixfusehi(#1)[#2]#3#4#5[#6]{% -\iniatom\iniflag%initialize% -\test@vrtx@sixhi{#3}% -\sixfuseposhi{#5}% -\if@sixfuseposv - \yl@shiftii=-\fuseAx - \yl@shifti=-\fuseAy - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(800,880)(-240,-400)% - \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `sixunith' origin: % - (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi% -\fi -{\resetbdsw% -\@bond@fuse@omit{#5}{#6}% -\set@skel@bondh{#1}{a}{c}% bond between 1 and 2 \@aaa -> \hskbondc etc -\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc -\set@skel@bondh{#1}{c}{a}% bond between 3 and 4 \@ccc -> \hskbonda etc -\set@skel@bondh{#1}{d}{f}% bond between 4 and 5 \@ddd -> \hskbondf etc -\set@skel@bondh{#1}{e}{e}% bond between 5 and 6 \@eee -> \hskbonde etc -\set@skel@bondh{#1}{f}{d}% bond between 6 and 1 \@fff -> \hskbondd etc -}% -\@tfor\member:=#2\do{% -\if\member r\relax% -\else \if\member l\relax% -\else \if\member a\relax% - \hbondc% -\else \if\member b\relax% - \hbondb% -\else \if\member c\relax% - \hbonda% -\else \if\member d\relax% - \hbondf% -\else \if\member e\relax% - \hbonde% -\else \if\member f\relax% - \hbondd% -\else \if\member A%left aromatic circle - \put(203,0){\circle{240}}% %circle -\else \expandafter\twoCH@@R\member//% - \set@fusionadd@sixhi -\fi\fi\fi\fi\fi\fi\fi\fi\fi}% -\set@hetatom@sixh{#3}{5}{0}{5}{-1}% %subst 1--4 -\set@hetatom@sixh{#3}{11}{4}{7}{-1}% %subst 5 and 6 -\setsixringh{#4}{5}{0}{5}{-1}% %subst 1--4 -\setsixringh{#4}{11}{4}{7}{-1}% %subst 5 and 6 -\end{picture}% -\sixfuseposhi{#5}%%for FuseWaring when nested -\iniatom\iniflag}% %end of \sixfusehi macro -\def\sixfuseposhi#1{% -\global\@sixfuseposvfalse -{\resetbdsw% -\@tfor\memBer:=#1\do{% -\if\memBer C\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `C'}% - \else - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \gdef\fuseBx{103}\gdef\fuseBy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer c\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `c'}% - \else - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \gdef\fuseAx{103}\gdef\fuseAy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer B\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `B'}% - \else - \gdef\fuseAx{103}\gdef\fuseAy{171}% - \gdef\fuseBx{303}\gdef\fuseBy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer b\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `b'}% - \else - \gdef\fuseBx{103}\gdef\fuseBy{171}% - \gdef\fuseAx{303}\gdef\fuseAy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer A\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `A'}% - \else - \gdef\fuseAx{303}\gdef\fuseAy{171}% - \gdef\fuseBx{406}\gdef\fuseBy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer a\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `a'}% - \else - \gdef\fuseBx{303}\gdef\fuseBy{171}% - \gdef\fuseAx{406}\gdef\fuseAy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer F\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `F'}% - \else - \gdef\fuseAx{406}\gdef\fuseAy{0}% - \gdef\fuseBx{303}\gdef\fuseBy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer f\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `f'}% - \else - \gdef\fuseBx{406}\gdef\fuseBy{0}% - \gdef\fuseAx{303}\gdef\fuseAy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer E\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `E'}% - \else - \gdef\fuseAx{303}\gdef\fuseAy{-171}% - \gdef\fuseBx{103}\gdef\fuseBy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer e\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `e'}% - \else - \gdef\fuseBx{303}\gdef\fuseBy{-171}% - \gdef\fuseAx{103}\gdef\fuseAy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer D\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `D'}% - \else - \gdef\fuseAx{103}\gdef\fuseAy{-171}% - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer d\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `d'}% - \else - \gdef\fuseBx{103}\gdef\fuseBy{-171}% - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \global\@sixfuseposvtrue - \fi -\fi}}}% end of the macro \sixfuseposhi -\def\fivefusev{\@ifnextchar({\@five@fusev(@}{\@five@fusev(@)}} -\def\@five@fusev(#1){\@ifnextchar[{\@five@@fusev(#1)[@}% -{\@five@@fusev(#1)[@]}} -\def\@five@@fusev(#1)[#2]#3#4#5{\@ifnextchar[% -{\@fivefusev(#1)[#2]{#3}{#4}{#5}[@}% -{\@fivefusev(#1)[#2]{#3}{#4}{#5}[@]}} -\def\@fivefusev(#1)[#2]#3#4#5[#6]{% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{d}{c}{b}{f}{e}{@}% -\fivefuseposv{#5}% -\if@sixfuseposv - \yl@shiftii=-\fuseAx - \yl@shifti=-\fuseAy - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(800,880)(-\shiftii,-\shifti)% - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `fivefusev' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -{\resetbdsw% -\@bond@fuse@omit{#5}{#6}% -\set@skel@bond{#1}{a}{c}% bond between 1 and 2 \@aaa -> \skbondc etc -\set@skel@bond{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc -\set@skel@longbond{#1}{c}{skbondhoriz}% - % bond between 3 and 4 \@ccc -> \skbondhoriz etc -\set@skel@bond{#1}{d}{e}% bond between 4 and 5 \@ddd -> \skbonde etc -\set@skel@bond{#1}{e}{d}% bond between 5 and 1 \@eee -> \skbondd etc -}% -\@tfor\member:=#2\do{% -\if\member r% -\else\if\member a\relax% - \bondc% -\else\if\member b\relax% - \bondb% -\else\if\member c\relax% - \bondhoriz% -\else\if\member d\relax% - \bonde% -\else\if\member e\relax% - \bondd% -\else - \expandafter\twoCH@@R\member//% - \set@fusionadd@fivev -\fi\fi\fi\fi\fi\fi}% -\set@hetatom@sixv{#3}{5}{1}{5}{-1}% % for 1 to 3 -\set@hetatom@sixv{#3}{10}{4}{7}{-1}% % for 4 to 5 -\setsixringv{#4}{5}{1}{5}{-1}% % for 1 to 3 -\setsixringv{#4}{10}{4}{7}{-1}% % for 4 to 5 -\end{picture}% -{\let\XyMTeXWarning\@gobble -\fivefuseposv{#5}}%%for FuseWaring when nested -\iniatom\iniflag}%end of \fivefusev macro -\def\fivefuseposv#1{% -\global\@sixfuseposvfalse -{\resetbdsw% -\@tfor\memBer:=#1\do{% -\if\memBer c\relax - \XyMTeXWarning{Not-used fusion at bond `c'}% -\fi -\if\memBer C\relax - \XyMTeXWarning{Not-used fusion at bond `C'}% -\fi -\if\memBer b\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `b'}% - \else - \gdef\fuseBx{171}\gdef\fuseBy{303}% - \gdef\fuseAx{171}\gdef\fuseAy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer B\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `B'}% - \else - \gdef\fuseAx{171}\gdef\fuseAy{303}% - \gdef\fuseBx{171}\gdef\fuseBy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer a\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `a'}% - \else - \gdef\fuseBx{171}\gdef\fuseBy{103}% - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer A\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `A'}% - \else - \gdef\fuseAx{171}\gdef\fuseAy{103}% - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer e\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `f'}% - \else - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \gdef\fuseAx{-171}\gdef\fuseAy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer E\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `F'}% - \else - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \gdef\fuseBx{-171}\gdef\fuseBy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer d\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `e'}% - \else - \gdef\fuseBx{-171}\gdef\fuseBy{103}% - \gdef\fuseAx{-171}\gdef\fuseAy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer D\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `E'}% - \else - \gdef\fuseAx{-171}\gdef\fuseAy{103}% - \gdef\fuseBx{-171}\gdef\fuseBy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -}}}% end of the macro \fivefuseposv -\def\fivefusevi{\@ifnextchar({\@five@fusevi(@}{\@five@fusevi(@)}} -\def\@five@fusevi(#1){\@ifnextchar[{\@five@@fusevi(#1)[@}% -{\@five@@fusevi(#1)[@]}} -\def\@five@@fusevi(#1)[#2]#3#4#5{\@ifnextchar[% -{\@fivefusevi(#1)[#2]{#3}{#4}{#5}[@}% -{\@fivefusevi(#1)[#2]{#3}{#4}{#5}[@]}} -\def\@fivefusevi(#1)[#2]#3#4#5[#6]{% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{a}{b}{c}{e}{f}{@}% -\fivefuseposvi{#5}% -\if@sixfuseposv - \yl@shiftii=-\fuseAx - \yl@shifti=-\fuseAy - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(800,880)(-\shiftii,-\shifti)% - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `fivefusevi' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -{\resetbdsw% -\@bond@fuse@omit{#5}{#6}% -\set@skel@bond{#1}{a}{a}% bond between 1 and 2 \@aaa -> \skbonda etc -\set@skel@bond{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc -\set@skel@longbond{#1}{c}{skbondhorizi}% - % bond between 3 and 4 \@ccc -> \skbondhorizi etc -\set@skel@bond{#1}{d}{e}% bond between 4 and 5 \@ddd -> \skbonde etc -\set@skel@bond{#1}{e}{f}% bond between 5 and 6 \@eee -> \skbondf etc -}% -\@tfor\member:=#2\do{% -\if\member r% -\else\if\member a\relax% - \bonda% -\else\if\member b\relax% - \bondb% -\else\if\member c\relax% - \bondhorizi% -\else\if\member d\relax% - \bonde% -\else\if\member e\relax% - \bondf% -\else - \expandafter\twoCH@@R\member//% - \set@fusionadd@fivevi -\fi\fi\fi\fi\fi\fi}% -\set@hetatom@sixv{#3}{0}{0}{4}{0}% % for 1 to 3 -\set@hetatom@sixv{#3}{1}{4}{7}{0}% % for 4 to 5 -\setsixringv{#4}{0}{0}{4}{0}% % for 1 to 3 -\setsixringv{#4}{1}{4}{7}{0}% % for 4 to 5 -\end{picture}% -{\let\XyMTeXWarning\@gobble -\fivefuseposvi{#5}}%%for FuseWaring when nested -\iniatom\iniflag}% %end of \fivefusevi macro -\def\fivefuseposvi#1{% -\global\@sixfuseposvfalse -{\resetbdsw% -\@tfor\memBer:=#1\do{% -\if\memBer a\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `a'}% - \else - \gdef\fuseAx{0}\gdef\fuseAy{406}% - \gdef\fuseBx{171}\gdef\fuseBy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer A\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `A'}% - \else - \gdef\fuseBx{0}\gdef\fuseBy{406}% - \gdef\fuseAx{171}\gdef\fuseAy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer b\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `b'}% - \else - \gdef\fuseAx{171}\gdef\fuseAy{303}% - \gdef\fuseBx{171}\gdef\fuseBy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer B\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `B'}% - \else - \gdef\fuseBx{171}\gdef\fuseBy{303}% - \gdef\fuseAx{171}\gdef\fuseAy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer c\relax - \XyMTeXWarning{Not-used fusion at bond `c'}% -\fi -\if\memBer C\relax - \XyMTeXWarning{Not-used fusion at bond `C'}% -\fi -\if\memBer d\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `d'}% - \else - \gdef\fuseAx{-171}\gdef\fuseAy{103}% - \gdef\fuseBx{-171}\gdef\fuseBy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer D\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `D'}% - \else - \gdef\fuseBx{-171}\gdef\fuseBy{103}% - \gdef\fuseAx{-171}\gdef\fuseAy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer e\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `e'}% - \else - \gdef\fuseAx{-171}\gdef\fuseAy{303}% - \gdef\fuseBx{0}\gdef\fuseBy{406}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer E\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `e'}% - \else - \gdef\fuseBx{-171}\gdef\fuseBy{303}% - \gdef\fuseAx{0}\gdef\fuseAy{406}% - \global\@sixfuseposvtrue - \fi -\fi}}}% end of the macro \fivefuseposvi -\def\fivefuseh{\@ifnextchar({\@five@fuseh(@}{\@five@fuseh(@)}} -\def\@five@fuseh(#1){\@ifnextchar[{\@five@@fuseh(#1)[@}% -{\@five@@fuseh(#1)[@]}} -\def\@five@@fuseh(#1)[#2]#3#4#5{\@ifnextchar[% -{\@fivefuseh(#1)[#2]{#3}{#4}{#5}[@}% -{\@fivefuseh(#1)[#2]{#3}{#4}{#5}[@]}} -\def\@fivefuseh(#1)[#2]#3#4#5[#6]{% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{d}{c}{b}{f}{e}{@}% -\fivefuseposh{#5}% -\if@sixfuseposv - \yl@shiftii=-\fuseAx - \yl@shifti=-\fuseAy - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(800,880)(-240,-400)% - \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `fivefuseh' origin: % - (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi% -\fi -{\resetbdsw% -\@bond@fuse@omit{#5}{#6}% -\set@skel@bondh{#1}{a}{c}% bond between 1 and 2 \@aaa -> \skbondc etc -\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc -\set@skel@longbond{#1}{c}{hskbondvert}% - % bond between 3 and 4 \@ccc -> \hskbondvert etc -\set@skel@bondh{#1}{d}{e}% bond between 4 and 5 \@ddd -> \skbonde etc -\set@skel@bondh{#1}{e}{d}% bond between 5 and 6 \@eee -> \skbondd etc -}% -\@tfor\member:=#2\do{% -\if\member r% -\else \if\member a\relax% - \hbondc% -\else \if\member b\relax% - \hbondb% -\else \if\member c\relax% - \hbondvert% -\else \if\member d\relax% - \hbonde% -\else \if\member e\relax% - \hbondd% -\else \if\member A%left aromatic circle - \put(233,0){\circle{180}}% %circle -\else - \expandafter\twoCH@@R\member//% - \set@fusionadd@fiveh -\fi\fi\fi\fi\fi\fi\fi}% -\set@hetatom@sixh{#3}{5}{1}{5}{-1}% % for 1 to 3 -\set@hetatom@sixh{#3}{10}{4}{7}{-1}% % for 4 to 5 -\setsixringh{#4}{5}{1}{5}{-1}% % for 1 to 3 -\setsixringh{#4}{10}{4}{7}{-1}% % for 4 to 5 -\end{picture}% -{\let\XyMTeXWarning\@gobble -\fivefuseposh{#5}}%for FuseWaring when nested% -\iniatom\iniflag}% %end of \fivefuseh macro -\def\fivefuseposh#1{% -\global\@sixfuseposvfalse -{\resetbdsw% -\@tfor\memBer:=#1\do{% -\if\memBer c\relax - \XyMTeXWarning{Not-used fusion at bond `c'}% -\fi -\if\memBer C\relax - \XyMTeXWarning{Not-used fusion at bond `C'}% -\fi -\if\memBer B\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `B'}% - \else - \gdef\fuseAx{103}\gdef\fuseAy{171}% - \gdef\fuseBx{303}\gdef\fuseBy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer b\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `b'}% - \else - \gdef\fuseBx{103}\gdef\fuseBy{171}% - \gdef\fuseAx{303}\gdef\fuseAy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer A\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `A'}% - \else - \gdef\fuseAx{303}\gdef\fuseAy{171}% - \gdef\fuseBx{406}\gdef\fuseBy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer a\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `a'}% - \else - \gdef\fuseBx{303}\gdef\fuseBy{171}% - \gdef\fuseAx{406}\gdef\fuseAy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer E\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `E'}% - \else - \gdef\fuseAx{406}\gdef\fuseAy{0}% - \gdef\fuseBx{303}\gdef\fuseBy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer e\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `e'}% - \else - \gdef\fuseBx{406}\gdef\fuseBy{0}% - \gdef\fuseAx{303}\gdef\fuseAy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer D\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `D'}% - \else - \gdef\fuseAx{303}\gdef\fuseAy{-171}% - \gdef\fuseBx{103}\gdef\fuseBy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer d\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `d'}% - \else - \gdef\fuseBx{303}\gdef\fuseBy{-171}% - \gdef\fuseAx{103}\gdef\fuseAy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -}}}% end of the macro \fivefuseposh -\def\fivefusehi{\@ifnextchar({\@five@fusehi(@}{\@five@fusehi(@)}} -\def\@five@fusehi(#1){\@ifnextchar[{\@five@@fusehi(#1)[@}% -{\@five@@fusehi(#1)[@]}} -\def\@five@@fusehi(#1)[#2]#3#4#5{\@ifnextchar[% -{\@fivefusehi(#1)[#2]{#3}{#4}{#5}[@}% -{\@fivefusehi(#1)[#2]{#3}{#4}{#5}[@]}} -\def\@fivefusehi(#1)[#2]#3#4#5[#6]{% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{a}{b}{c}{e}{f}{@}% -\fivefuseposhi{#5}% -\if@sixfuseposv - \yl@shiftii=-\fuseAx - \yl@shifti=-\fuseAy - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(800,880)(-240,-400)% - \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `fivefusehi' origin: % - (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi% -\fi -{\resetbdsw% -\@bond@fuse@omit{#5}{#6}% -\set@skel@bondh{#1}{a}{a}% bond between 1 and 2 \@aaa -> \hskbonda etc -\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc -\set@skel@longbond{#1}{c}{hskbondverti}% - % bond between 3 and 4 \@ccc -> \hskbondverti etc -\set@skel@bondh{#1}{d}{e}% bond between 4 and 5 \@ddd -> \hskbonde etc -\set@skel@bondh{#1}{e}{f}% bond between 5 and 6 \@eee -> \hskbondf etc -}% -\@tfor\member:=#2\do{% -\if\member r% -\else \if\member a\relax% - \hbonda% -\else \if\member b\relax% - \hbondb% -\else \if\member c\relax% - \hbondverti% -\else \if\member d\relax% - \hbonde% -\else \if\member e\relax% - \hbondf% -\else \if\member A%left aromatic circle - \put(173,0){\circle{180}}% %circle -\else - \expandafter\twoCH@@R\member//% - \set@fusionadd@fivehi -\fi\fi\fi\fi\fi\fi\fi}% -\set@hetatom@sixh{#3}{0}{0}{4}{0}% % for 1 to 3 -\set@hetatom@sixh{#3}{1}{4}{7}{0}% % for 4 to 5 -\setsixringh{#4}{0}{0}{4}{0}% % for 1 to 3 -\setsixringh{#4}{1}{4}{7}{0}% % for 4 to 5 -\end{picture}% -{\let\XyMTeXWarning\@gobble -\fivefuseposhi{#5}}%for FuseWaring when nested -\iniatom\iniflag}% %end of \fivefusehi macro -\def\fivefuseposhi#1{% -\global\@sixfuseposvfalse -{\resetbdsw% -\@tfor\memBer:=#1\do{% -\if\memBer a\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `a'}% - \else - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \gdef\fuseBx{103}\gdef\fuseBy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer A\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `A'}% - \else - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \gdef\fuseAx{103}\gdef\fuseAy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer b\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `b'}% - \else - \gdef\fuseAx{103}\gdef\fuseAy{171}% - \gdef\fuseBx{303}\gdef\fuseBy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer B\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `B'}% - \else - \gdef\fuseBx{103}\gdef\fuseBy{171}% - \gdef\fuseAx{303}\gdef\fuseAy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer c\relax - \XyMTeXWarning{Not-used fusion at bond `c'}% -\fi -\if\memBer C\relax - \XyMTeXWarning{Not-used fusion at bond `C'}% -\fi -\if\memBer d\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `d'}% - \else - \gdef\fuseAx{303}\gdef\fuseAy{-171}% - \gdef\fuseBx{103}\gdef\fuseBy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer D\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `D'}% - \else - \gdef\fuseBx{303}\gdef\fuseBy{-171}% - \gdef\fuseAx{103}\gdef\fuseAy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer e\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `e'}% - \else - \gdef\fuseAx{103}\gdef\fuseAy{-171}% - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer E\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `E'}% - \else - \gdef\fuseBx{103}\gdef\fuseBy{-171}% - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \global\@sixfuseposvtrue - \fi -\fi}}}% end of the macro \fivefuseposhi -\def\fourfuse{\@ifnextchar({\@four@fuse(@}{\@four@fuse(@)}} -\def\@four@fuse(#1){\@ifnextchar[{\@four@@fuse(#1)[@}% -{\@four@@fuse(#1)[@]}} -\def\@four@@fuse(#1)[#2]#3#4#5{\@ifnextchar[% -{\@fourfuse(#1)[#2]{#3}{#4}{#5}[@}% -{\@fourfuse(#1)[#2]{#3}{#4}{#5}[@]}} -\def\@fourfuse(#1)[#2]#3#4#5[#6]{% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{e}{c}{b}{f}{@}{@}% -\fourfusepos{#5}% -\if@sixfuseposv - \yl@shiftii=-\fuseAx - \yl@shifti=-\fuseAy - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(800,880)(-571,-137)% - \iforigpt\put(-571,-137){\circle*{50}}% - \put(-171,103){\circle{50}}% - \typeout{command `fourfuse' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -{\resetbdsw% -\@bond@fuse@omit{#5}{#6}% -\put(0,0){\set@skel@longbond{#1}{a}{skbondshorizi}}% - % bond between 1 and 2 \@aaa -> \skbondshorizi etc -\put(-142,0){\set@skel@bond{#1}{b}{b}}% - % bond between 2 and 3 \@bbb -> \skbondb etc -\put(0,0){\set@skel@longbond{#1}{c}{skbondshoriz}}% - % bond between 3 and 4 \@ccc -> \skbondshoriz etc -\put(0,0){\set@skel@bond{#1}{d}{e}}% - % bond between 4 and 1 \@ddd -> \skbonde etc -}% -\@tfor\member:=#2\do{% -\if\member r% -\else\if\member a\relax \put(0,0){\bondshorizi}% -\else\if\member b\relax \put(-142,0){\bondb}% -\else\if\member c\relax \put(0,0){\bondshoriz}% -\else\if\member d\relax \put(0,0){\bonde}% -\else - \expandafter\twoCH@@R\member//% - \set@fusionadd@fourv -\fi\fi\fi\fi\fi}% -\put(-142,0){\set@hetatom@sixv{#3}{5}{1}{4}{-1}}% for 2 to 3 -\put(0,0){\set@hetatom@sixv{#3}{4}{4}{6}{0}}% for 1 -\put(0,0){\set@hetatom@sixv{#3}{2}{5}{7}{0}}% for 4 -\put(-142,0){\setsixringv{#4}{5}{1}{4}{-1}}% for 2 to 3 -\put(0,0){\setsixringv{#4}{4}{4}{6}{0}}% for 1 -\put(0,0){\setsixringv{#4}{2}{5}{7}{0}}% for 4 -\end{picture}% -\fourfusepos{#5}%%for FuseWaring when nested -\iniatom\iniflag -\global\@smallringswtrue%for permition at a center bond -}% %end of \fourfuse macro -\def\fourfusepos#1{% -\global\@sixfuseposvfalse -{\resetbdsw% -\@tfor\memBer:=#1\do{% -\if\memBer a\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `a'}% - \else - \gdef\fuseAx{-171}\gdef\fuseAy{103}% - \gdef\fuseBx{29}\gdef\fuseBy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer A\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `A'}% - \else - \gdef\fuseBx{-171}\gdef\fuseBy{103}% - \gdef\fuseAx{29}\gdef\fuseAy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer b\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `b'}% - \else - \gdef\fuseAx{29}\gdef\fuseAy{103}% - \gdef\fuseBx{29}\gdef\fuseBy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer B\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `B'}% - \else - \gdef\fuseBx{29}\gdef\fuseBy{103}% - \gdef\fuseAx{29}\gdef\fuseAy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer c\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `c'}% - \else - \gdef\fuseAx{29}\gdef\fuseAy{303}% - \gdef\fuseBx{-171}\gdef\fuseBy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer C\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `C'}% - \else - \gdef\fuseBx{29}\gdef\fuseBy{303}% - \gdef\fuseAx{-171}\gdef\fuseAy{303}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer d\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `d'}% - \else - \gdef\fuseAx{-171}\gdef\fuseAy{303}% - \gdef\fuseBx{-171}\gdef\fuseBy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer D\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `D'}% - \else - \gdef\fuseBx{-171}\gdef\fuseBy{303}% - \gdef\fuseAx{-171}\gdef\fuseAy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -}}}% end of the macro \fourfusepos -\def\threefusev{\@ifnextchar({\@three@fusev(@}{\@three@fusev(@)}} -\def\@three@fusev(#1){\@ifnextchar[{\@three@@fusev(#1)[@}% -{\@three@@fusev(#1)[@]}} -\def\@three@@fusev(#1)[#2]#3#4#5{\@ifnextchar[% -{\@threefusev(#1)[#2]{#3}{#4}{#5}[@}% -{\@threefusev(#1)[#2]{#3}{#4}{#5}[@]}} -\def\@threefusev(#1)[#2]#3#4#5[#6]{% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{d}{b}{f}{@}{@}{@}% -\threefuseposv{#5}% -\if@sixfuseposv - \yl@shiftii=-\fuseAx - \yl@shifti=-\fuseAy - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(800,580)(-468,-240)% - \iforigpt \put(-468,-240){\circle*{50}}% - \put(-68,0){\circle{50}}% - \typeout{command `threefusevv' origin: % - (68,0) ---> (468,240)}\fi% -\fi -{\resetbdsw% -\@bond@fuse@omit{#5}{#6}% -\put(-68,0){\set@skel@longbond{#1}{a}{skbondtria}}% - % bond between 1 and 2 \@aaa -> \skbondtria etc -\put(0,-132){\set@skel@longbond{#1}{b}{skbondshoriz}}% - % bond between 2 and 3 \@bbb -> \skbondb etc -\put(-68,0){\set@skel@longbond{#1}{c}{skbondtrib}}% - % bond between 3 and 1 \@ccc -> \skbondtria etc -}% -\@tfor\member:=#2\do{% -\if\member r\relax% -\else\if\member a\relax\put(-68,0){\bondtria}% -\else\if\member b\relax\put(0,-126){\bondshoriz}% -\else\if\member c\relax\put(-68,0){\bondtrib}% -\else\if\member A\relax% aromatic circle - \put(-70,108){\circle{100}}% %circle -\else - \expandafter\twoCH@@R\member//% - \set@fusionadd@threev -\fi\fi\fi\fi\fi% -}% -\put(-68,0){\set@hetatom@sixv{#3}{3}{3}{5}{0}% -\if@clip\global\@cliptrue\fi -}%subst 1 -\put(-142,-132){\set@hetatom@sixv{#3}{0}{1}{3}{0}% -\if@bclip\global\@bcliptrue\fi -}%subst 2 -\put(0,-132){\set@hetatom@sixv{#3}{3}{5}{7}{0}% -\if@fclip\global\@fcliptrue\fi -}%subst 3 -\put(-68,0){\setsixringv{#4}{3}{3}{5}{0}}%subst 1 -\put(-142,-132){\setsixringv{#4}{0}{1}{3}{0}}%subst 2 -\put(0,-132){\setsixringv{#4}{3}{5}{7}{0}}%subst 3 -\end{picture}% -\threefuseposv{#5}%%for FuseWaring when nested -\iniatom\iniflag -\global\@smallringswtrue%for permition at a center bond -}% %end of \threefusev macro -\def\threefuseposv#1{% -\global\@sixfuseposvfalse -{\resetbdsw% -\@tfor\memBer:=#1\do{% -\if\memBer a\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `a'}% - \else - \gdef\fuseAx{-68}\gdef\fuseAy{0}% - \gdef\fuseBx{35}\gdef\fuseBy{171}%corrected - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer A\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `A'}% - \else - \gdef\fuseBx{-74}\gdef\fuseBy{0}%corrected - \gdef\fuseAx{29}\gdef\fuseAy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer b\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `b'}% - \else - \gdef\fuseAx{29}\gdef\fuseAy{171}% - \gdef\fuseBx{-171}\gdef\fuseBy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer B\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `B'}% - \else - \gdef\fuseBx{29}\gdef\fuseBy{171}% - \gdef\fuseAx{-171}\gdef\fuseAy{171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer c\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `c'}% - \else - \gdef\fuseAx{-171}\gdef\fuseAy{171}% - \gdef\fuseBx{-68}\gdef\fuseBy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer C\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `C'}% - \else - \gdef\fuseBx{-171}\gdef\fuseBy{171}% - \gdef\fuseAx{-68}\gdef\fuseAy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -}}}% end of the macro \threefuseposv -\def\threefusevi{\@ifnextchar({\@three@fusevi(@}{\@three@fusevi(@)}} -\def\@three@fusevi(#1){\@ifnextchar[{\@three@@fusevi(#1)[@}% -{\@three@@fusevi(#1)[@]}} -\def\@three@@fusevi(#1)[#2]#3#4#5{\@ifnextchar[% -{\@threefusevi(#1)[#2]{#3}{#4}{#5}[@}% -{\@threefusevi(#1)[#2]{#3}{#4}{#5}[@]}} -\def\@threefusevi(#1)[#2]#3#4#5[#6]{% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{a}{c}{e}{@}{@}{@}% -\threefuseposvi{#5}% -\if@sixfuseposv - \yl@shiftii=-\fuseAx - \yl@shifti=-\fuseAy - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(800,580)(-468,-340)% - \iforigpt \put(-468,-340){\circle*{50}}% - \put(-68,0){\circle{50}}% - \typeout{command `threefusevi' origin: % - (0,0) ---> (-468,-340)}\fi% -\fi -{\resetbdsw% -\@bond@fuse@omit{#5}{#6}% -\put(-68,0){\set@skel@longbond{#1}{a}{skBondtria}}% - % bond between 1 and 2 \@aaa -> \skBondtria etc -\put(0,-275){\set@skel@longbond{#1}{b}{skbondshorizi}}% - % bond between 2 and 3 \@bbb -> \skbondb etc -\put(-68,0){\set@skel@longbond{#1}{c}{skBondtrib}}% - % bond between 3 and 1 \@ccc -> \skBondtrib etc -}% -\@tfor\member:=#2\do{% -\if\member r\relax% -\else\if\member a\relax\put(-68,0){\Bondtria}% -\else\if\member b\relax\put(0,-274){\bondshorizi}% -\else\if\member c\relax\put(-68,0){\Bondtrib}% -\else\if\member A\relax% aromatic circle - \put(-70,-108){\circle{100}}% %circle -\else - \expandafter\twoCH@@R\member//% - \set@fusionadd@threevi -\fi\fi\fi\fi\fi% -}% -\put(-68,-406){\set@hetatom@sixv{#3}{0}{0}{2}{0}% -\if@aclip\global\@acliptrue\fi -}%subst 1 -\put(0,-275){\set@hetatom@sixv{#3}{2}{4}{6}{0}% -\if@cclip\global\@ccliptrue\fi -}%subst 3 -\put(-142,-275){\set@hetatom@sixv{#3}{1}{2}{4}{0}% -\if@eclip\global\@ecliptrue\fi -}%subst 2 -\put(-68,-406){\setsixringv{#4}{0}{0}{2}{0}}%subst 1 -\put(0,-275){\setsixringv{#4}{2}{4}{6}{0}}%subst 3 -\put(-142,-275){\setsixringv{#4}{1}{2}{4}{0}}%subst 2 -\end{picture}% -\threefuseposvi{#5}%%for FuseWaring when nested -\iniatom\iniflag -\global\@smallringswtrue%for permition at a center bond -}% %end of \threefusevi macro -\def\threefuseposvi#1{% -\global\@sixfuseposvfalse -{\resetbdsw% -\@tfor\memBer:=#1\do{% -\if\memBer a\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `a'}% - \else - \gdef\fuseAx{-68}\gdef\fuseAy{0}% - \gdef\fuseBx{35}\gdef\fuseBy{-171}%corrected - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer A\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `A'}% - \else - \gdef\fuseBx{-74}\gdef\fuseBy{0}%corrected - \gdef\fuseAx{29}\gdef\fuseAy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer b\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `b'}% - \else - \gdef\fuseAx{29}\gdef\fuseAy{-171}% - \gdef\fuseBx{-171}\gdef\fuseBy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer B\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `B'}% - \else - \gdef\fuseBx{29}\gdef\fuseBy{-171}% - \gdef\fuseAx{-171}\gdef\fuseAy{-171}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer c\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `c'}% - \else - \gdef\fuseAx{-171}\gdef\fuseAy{-171}% - \gdef\fuseBx{-68}\gdef\fuseBy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer C\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `C'}% - \else - \gdef\fuseBx{-171}\gdef\fuseBy{-171}% - \gdef\fuseAx{-68}\gdef\fuseAy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -}}}% end of the macro \threefuseposvi - -\def\threefuseh{\@ifnextchar({\@three@fuseh(@}{\@three@fuseh(@)}} -\def\@three@fuseh(#1){\@ifnextchar[{\@three@@fuseh(#1)[@}% -{\@three@@fuseh(#1)[@]}} -\def\@three@@fuseh(#1)[#2]#3#4#5{\@ifnextchar[% -{\@threefuseh(#1)[#2]{#3}{#4}{#5}[@}% -{\@threefuseh(#1)[#2]{#3}{#4}{#5}[@]}} -\def\@threefuseh(#1)[#2]#3#4#5[#6]{% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{d}{f}{b}{@}{@}{@}%tentative use for six-h -\threefuseposh{#5}% -\if@sixfuseposv - \yl@shiftii=-\fuseAx - \yl@shifti=-\fuseAy - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(580,700)(-200,-240)% - \iforigpt \put(-200,-200){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `threefuseh' origin: % - (0,0) ---> (200,200)}\fi% -\fi -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{c}{e}{a}{@}{@}{@}% -\test@vertix@sixv{#3}{b}{d}{f}{@}{@}{@}% -{\resetbdsw% -\@bond@fuse@omit{#5}{#6}% -\put(0,0){\set@skel@bond{#1}{a}{c}}% - % bond between 1 and 2 \@aaa -> \skbondc etc -\put(171,-103){\set@skel@bond{#1}{b}{e}}% - % bond between 2 and 3 \@bbb -> \skbonde etc -\put(0,-200){\set@skel@bond{#1}{c}{a}}% - % bond between 3 and 1 \@ccc -> \skbonda etc -}% -\@tfor\member:=#2\do{% -\if\member r\relax% -\else\if\member a\relax\put(0,0){\bondc}% -\else\if\member b\relax\put(171,-103){\bonde}% -\else\if\member c\relax\put(0,-200){\bonda}% -\else\if\member A\relax% aromatic circle - \put(70,103){\circle{100}}% %circle -\else - \expandafter\twoCH@@R\member//% - \set@fusionadd@threeh -\fi\fi\fi\fi\fi% -}% -\iniflag -\put(-215,103){\set@hetatom@sixh{#3}{3}{3}{5}{0}% -\if@clip \global\@cliptrue\fi}%subst 1 <--six h 4 -\put(-103,29){\set@hetatom@sixh{#3}{-1}{1}{3}{0}% -\if@bclip \global\@bcliptrue\fi}%subst 3 <--six h 2 -\put(-103,171){\set@hetatom@sixh{#3}{4}{5}{7}{0}% -\if@fclip \global\@fcliptrue\fi}%subst 2 <--six h 6 -\put(-235,103){\setsixringh{#4}{3}{3}{5}{0}}%subst 1 -\put(-103,29){\setsixringh{#4}{-1}{1}{3}{0}}%subst 3 -\put(-103,171){\setsixringh{#4}{4}{5}{7}{0}}%subst 2 -\end{picture}% -\threefuseposh{#5}%%for FuseWaring when nested -\iniatom\iniflag -\global\@smallringswtrue%for permition at a center bond -}% %end of \threefuseh macro -\def\threefuseposh#1{% -\global\@sixfuseposvfalse -{\resetbdsw% -\@tfor\memBer:=#1\do{% -\if\memBer a\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `a'}% - \else - \gdef\fuseAx{171}\gdef\fuseAy{103}%corrected - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer A\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `A'}% - \else - \gdef\fuseBx{171}\gdef\fuseBy{103}% - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer b\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `b'}% - \else - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \gdef\fuseBx{0}\gdef\fuseBy{200}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer B\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `B'}% - \else - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \gdef\fuseAx{0}\gdef\fuseAy{200}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer c\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `c'}% - \else - \gdef\fuseAx{0}\gdef\fuseAy{200}% - \gdef\fuseBx{171}\gdef\fuseBy{97}%corrected - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer C\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `C'}% - \else - \gdef\fuseBx{0}\gdef\fuseBy{206}%corrected - \gdef\fuseAx{171}\gdef\fuseAy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -}}}% end of the macro \threefuseposh -\def\threefusehi{\@ifnextchar({\@three@fusehi(@}{\@three@fusehi(@)}} -\def\@three@fusehi(#1){\@ifnextchar[{\@three@@fusehi(#1)[@}% -{\@three@@fusehi(#1)[@]}} -\def\@three@@fusehi(#1)[#2]#3#4#5{\@ifnextchar[% -{\@threefusehi(#1)[#2]{#3}{#4}{#5}[@}% -{\@threefusehi(#1)[#2]{#3}{#4}{#5}[@]}} -\def\@threefusehi(#1)[#2]#3#4#5[#6]{% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{a}{e}{c}{@}{@}{@}%tentative use for six-h -\threefuseposhi{#5}% -\if@sixfuseposv - \yl@shiftii=-\fuseAx - \yl@shifti=-\fuseAy - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(580,700)(-400,-240)% - \iforigpt \put(-400,-200){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `threefusehi' origin: % - (0,0) ---> (400,200)}\fi% -\fi -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{e}{c}{a}{@}{@}{@}% -\test@vertix@sixv{#3}{f}{d}{b}{@}{@}{@}% -{\resetbdsw% -\@bond@fuse@omit{#5}{#6}% -\put(0,0){\set@skel@bond{#1}{a}{d}}% - % bond between 1 and 2 \@aaa -> \skbondd etc -\put(-171,-103){\set@skel@bond{#1}{b}{b}}% - % bond between 2 and 3 \@bbb -> \skbondb etc -\put(0,-200){\set@skel@bond{#1}{c}{f}}% - % bond between 3 and 1 \@ccc -> \skbondf etc -}% -\@tfor\member:=#2\do{% -\if\member r\relax% -\else\if\member a\relax\put(0,0){\bondd}% -\else\if\member b\relax\put(-171,-103){\bondb}% -\else\if\member c\relax\put(0,-200){\bondf}% -\else\if\member A\relax% aromatic circle - \put(70,103){\circle{100}}% %circle -\else - \expandafter\twoCH@@R\member//% - \set@fusionadd@threehi -\fi\fi\fi\fi\fi% -}% -\iniflag -\put(-171,103){\set@hetatom@sixh{#3}{0}{0}{2}{0}% -\if@aclip \global\@acliptrue\fi}%subst 1 <--six h 1 -\put(-303,29){\set@hetatom@sixh{#3}{0}{2}{4}{0}% -\if@cclip \global\@ccliptrue\fi}%subst 3 <--six h 3 -\put(-303,171){\set@hetatom@sixh{#3}{3}{4}{6}{0}% -\if@eclip \global\@ecliptrue\fi}%subst 2 <--six h 5 -\put(-171,103){\setsixringh{#4}{0}{0}{2}{0}}%subst 1 -\put(-303,29){\setsixringh{#4}{0}{2}{4}{0}}%subst 3 -\put(-303,171){\setsixringh{#4}{3}{4}{6}{0}}%subst 2 -\end{picture}% -\threefuseposhi{#5}%%for FuseWaring when nested -\iniatom\iniflag -\global\@smallringswtrue%for permition at a center bond -}% %end of \threefusehi macro -\def\threefuseposhi#1{% -\global\@sixfuseposvfalse -{\resetbdsw% -\@tfor\memBer:=#1\do{% -\if\memBer a\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `a'}% - \else - \gdef\fuseAx{-171}\gdef\fuseAy{103}%corrected - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer A\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `A'}% - \else - \gdef\fuseBx{-171}\gdef\fuseBy{103}% - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer b\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bond at bond `b'}% - \else - \gdef\fuseAx{0}\gdef\fuseAy{0}% - \gdef\fuseBx{0}\gdef\fuseBy{200}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer B\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `B'}% - \else - \gdef\fuseBx{0}\gdef\fuseBy{0}% - \gdef\fuseAx{0}\gdef\fuseAy{200}% - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer c\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `c'}% - \else - \gdef\fuseAx{0}\gdef\fuseAy{200}% - \gdef\fuseBx{-171}\gdef\fuseBy{97}%corrected - \global\@sixfuseposvtrue - \fi -\fi% -\if\memBer C\relax - \if@sixfuseposv - \XyMTeXWarning{Double fused bonds at bond `C'}% - \else - \gdef\fuseBx{0}\gdef\fuseBy{206}%corrected - \gdef\fuseAx{-171}\gdef\fuseAy{103}% - \global\@sixfuseposvtrue - \fi -\fi% -}}}% end of the macro \threefuseposhi -\endinput -%% -%% End of file `fusering.sty'. diff --git a/Master/texmf-dist/tex/latex/xymtex/hcycle.sty b/Master/texmf-dist/tex/latex/xymtex/hcycle.sty deleted file mode 100644 index bc45965d70b..00000000000 --- a/Master/texmf-dist/tex/latex/xymtex/hcycle.sty +++ /dev/null @@ -1,387 +0,0 @@ -%% -%% This is file `hcycle.sty', -%% generated with the docstrip utility. -%% -%% The original source files were: -%% -%% hcycle.dtx (with options: `hcycle') -%% -%% This is a generated file. -%% -%% Copyright 1996,1998 by Shinsaku Fujita -%% -%% This file is part of the XyMTeX system. -%% ======================================= -%% -%% Version 1.01 Released on August 16, 1996 -%% Version 1.02 Released on October 31, 1996 (private version) -%% Version 2.00 Released on December 25, 1998 -%% -%% Copyright (C) 1996,1998 by Shinsaku Fujita, all rights reserved. -%% This style file is created for drawing chemical structural formulas -%% This style file is to be contained in the ``xymtex'' directory which -%% is an input directory for TeX. -%% -%% Copying of this file is authorized only if either -%% -%% (1) you make absolutely no changes to your copy, including name and -%% directory name -%% (2) if you do make changes, -%% (a) you name it something other than the names included in the -%% ``xymtex'' directory and -%% (b) you acknowledge the original name. -%% This restriction ensures that all standard styles are identical. -%% -%% ======================================= -%% -%% This file contains several codes modified from latex.tex (LaTeX2.09) -%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -%% Copyright 1994 the LaTeX3 project and the individual authors (For further -%% copyright information see the file legal.txt of the LaTeX2e standard -%% distribution, and any other copyright indicated in this file.) -%% -%% File: hcycle.dtx -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00} -\typeout{ -- Released December 25, 1998 by Shinsaku Fujita} -\def\j@urnalname{hcycle} -\def\versi@ndate{December 25, 1998} -\def\versi@nno{ver2.00} -\def\copyrighth@lder{SF} % Shinsaku Fujita -\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>% -\space[\copyrighth@lder]} -\@ifundefined{setsixringv}{\input chemstr.sty\relax}{} -\unitlength=0.1pt -\def\@pyrana{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10 - \yl@ydiff=30 - \put(0,0){\line(1,0){120}}% single bond at 1 - \putratom{130}{-30}{\@memberb}% right type - \else\if\@tmpc a%(a) alpha - \yl@xdiff=32 - \yl@ydiff=72 - \put(0,0){\line(0,-1){118}}% single bond at 1 alpha (down) - \putratom{-32}{-190}{\@memberb}% right type - \else\if\@tmpc b%(e) beta - \yl@xdiff=32 - \yl@ydiff=-12 - \put(0,0){\line(0,1){118}}% single bond at 1 beta (up) - \putratom{-32}{130}{\@memberb}% right type - \else\if\@tmpc A% alpha - \yl@xdiff=-10 - \yl@ydiff=60 - \put(0,0){\line(1,-1){120}}% single bond at 1 - \putratom{130}{-180}{\@memberb}% right type - \else\if\@tmpc B% beta - \yl@xdiff=-10 - \yl@ydiff=10 - \put(0,0){\line(1,1){120}}% single bond at 1 - \putratom{130}{110}{\@memberb}% right type - \fi\fi\fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=-10 - \yl@ydiff=30 - \put(0,-15){\line(1,0){120}}% double bond at 1 - \put(0,15){\line(1,0){120}}% double bond at 1 - \putratom{130}{-30}{\@memberb}% right type - \else% - \yl@xdiff=-10 - \yl@ydiff=30 - \put(0,0){\line(1,0){120}}% single bond at 1 - \putratom{130}{-30}{\@memberb}% right type - \fi\fi}% -\def\@pyranb{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10 - \yl@ydiff=60 - \put(0,0){\line(1,-1){120}}% single bond at 1 - \putratom{130}{-180}{\@memberb}% left type - \else\if\@tmpc a%(a) alpha - \yl@xdiff=32 - \yl@ydiff=72 - \put(0,0){\line(0,-1){118}}% single bond alpha (down) - \putlratom{-32}{-190}{\@memberb}% left & right type - \else\if\@tmpc b%(b) beta - \yl@xdiff=32 - \yl@ydiff=-12 - \put(0,0){\line(0,1){118}}% single bond beta (up) - \putlratom{-32}{130}{\@memberb}% left & right type - \fi\fi\fi%\fi\fi% - \else \if\@tmpb D%double bond: Added by SF 1998/10/25 - \yl@xdiff=-10 - \yl@ydiff=60 - \put(-15,-15){\line(1,-1){120}}% double bond at 1 - \put(0,15){\line(1,-1){120}}% double bond at 1 - \putratom{130}{-180}{\@memberb}% right type - \else% - \yl@xdiff=-10 - \yl@ydiff=10 - \put(0,0){\line(1,1){120}}% single bond at 1 - \putratom{130}{110}{\@memberb}% left type -\fi\fi}% -\def\@pyranbb{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10 - \yl@ydiff=60 - \put(0,0){\line(1,-1){120}}% single bond at 1 - \putratom{130}{-180}{\@memberb}% left type - \else\if\@tmpc a%(a) alpha - \yl@xdiff=32 - \yl@ydiff=72 - \put(0,0){\line(0,-1){118}}% single bond alpha (down) - \putlratom{-32}{-190}{\@memberb}% left & right type - \else\if\@tmpc b%(b) beta - \yl@xdiff=32 - \yl@ydiff=-12 - \put(0,0){\line(0,1){118}}% single bond beta (up) - \putlratom{-32}{130}{\@memberb}% left & right type - \fi\fi\fi%\fi\fi% - \else \if\@tmpb D%double bond: Added by SF 1998/10/25 - \yl@xdiff=20 - \yl@ydiff=60 - \put(15,-15){\line(-1,-1){120}}% double bond at 1 - \put(0,15){\line(-1,-1){120}}% double bond at 1 - \putlatom{-130}{-180}{\@memberb}%left type - \else% - \yl@xdiff=10 - \yl@ydiff=60 - \put(0,0){\line(-1,-1){120}}% single bond at 1 - \putlatom{-130}{-180}{\@memberb}% left type -\fi\fi}% -\def\@pyranbB{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=-10 - \yl@ydiff=60 - \put(0,0){\line(1,-1){120}}% single bond at 5 - \putratom{130}{-180}{\@memberb}% left type - \else\if\@tmpc a%(a) alpha - \yl@xdiff=32 - \yl@ydiff=72 - \put(0,0){\line(0,-1){118}}% single bond alpha (down) - \putlratom{-32}{-190}{\@memberb}% left & right type - \else\if\@tmpc b%(b) beta - \yl@xdiff=32 - \yl@ydiff=-12 - \put(0,0){\line(0,1){118}}% single bond beta (up) - \putlratom{-32}{130}{\@memberb}% left & right type - \fi\fi\fi%\fi\fi% - \else \if\@tmpb D%double bond: Added by SF 1998/10/25 - \yl@xdiff=0 - \yl@ydiff=-20 - \put(15,15){\line(-1,1){120}}% double bond at 5 - \put(0,-15){\line(-1,1){120}}% double bond at 5 - \putlatom{-120}{140}{\@memberb}%left type - \else% - \yl@xdiff=10 - \yl@ydiff=-20 - \put(0,0){\line(-1,1){120}}% single bond at 1 - \putlatom{-130}{140}{\@memberb}% left type -\fi\fi}% -\def\@pyranc{% - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=10 - \yl@ydiff=30 - \put(0,0){\line(-1,0){120}}% single bond at 4 - \putlatom{-130}{-30}{\@memberb}% left type - \else\if\@tmpc a%(a) alpha - \yl@xdiff=-32 - \yl@ydiff=72 - \put(0,0){\line(0,-1){118}}% single bond at 4 alpha (down) - \putlatom{32}{-190}{\@memberb}% left type - \else\if\@tmpc b%(e) beta - \yl@xdiff=-32 - \yl@ydiff=-12 - \put(0,0){\line(0,1){118}}% single bond at 4 beta (up) - \putlatom{32}{130}{\@memberb}% left type - \else\if\@tmpc A% alpha - \yl@xdiff=10 - \yl@ydiff=60 - \put(0,0){\line(-1,-1){120}}% single bond at 4 - \putlatom{-130}{-180}{\@memberb}% left type - \else\if\@tmpc B% beta - \yl@xdiff=10 - \yl@ydiff=10 - \put(0,0){\line(-1,1){120}}% single bond at 4 - \putlatom{-130}{110}{\@memberb}% left type - \fi\fi\fi\fi\fi% - \else \if\@tmpb D%double bond - \yl@xdiff=10 - \yl@ydiff=30 - \put(0,-15){\line(-1,0){120}}% double bond at 4 - \put(0,15){\line(-1,0){120}}% double bond at 4 - \putlatom{-130}{-30}{\@memberb}% left type - \else% - \yl@xdiff=10 - \yl@ydiff=30 - \put(0,0){\line(-1,0){120}}% single bond at 4 - \putlatom{-130}{-30}{\@memberb}% left type - \fi\fi}% -\def\pyranose{\@ifnextchar[{\@pyranose}{\@pyranose[r]}} -\def\@pyranose[#1]#2{% -\@reset@ylsw% -\ylpyranoseposition{#2}% -\def\@@ylii{0}\def\@@yli{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(880,800)(-240,-400) - \iforigpt \put(-240,-400){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `pyranose' origin: (0,0) ---> (240,400)} - \fi% -\fi - \put(0,0){\line(3,5){120}}% %bond 4-5 - \put(120,200){\line(1,0){252}}% %bond 5-6 - \put(532,0){\line(-3,5){96}}% %bond 1-6 - {\thicklines% - \put(0,0){\line(3,-5){120}}% %bond 4-3 - \put(412,-200){\line(3,5){120}}% %bond 2-1 - \put(120,-200){\line(1,0){292}}}% %bond 3-2 - \putratom{382}{160}{O}% left type - % -\@tfor\member:=#1\do{% -\if\member r%no endcyclic double bonds -\else \if\member a% - \put(400,-150){\line(3,5){90}}% %double bond 2-1 -\else \if\member b% - \put(150,-160){\line(1,0){232}}% %double bond 3-2 -\else \if\member c% - \put(50,-12){\line(3,-5){90}}% %double bond 4-3 -\else \if\member d% - \put(50,12){\line(3,5){90}}% %double bond 4-5 -\else \if\member e% - \put(150,160){\line(1,0){232}}% %double bond 5-6 -\else \if\member f% - \put(482,12){\line(-3,5){70}}% %double bond 1-6 -\fi\fi\fi\fi\fi\fi\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa%0 omit - \or \put(532,0){\@pyrana}% subst. on 1 - \or \put(412,-200){\@pyranb}% subst. on 2 - \or \put(120,-200){\@pyranbb}% subst. on 3 - \or \put(0,0){\@pyranc}% subst. on 4 - \or \put(120,200){\@pyranbB}% subst. on 5 -\fi %end of ifcase -\fi\fi% -}\end{picture}}% %end of \pyranose macro -\def\ylpyranoseposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa%0 omit - \or\gdef\@ylii{-532}\gdef\@yli{0}\global\@ylswtrue% subst. on 1 - \or\gdef\@ylii{-412}\gdef\@yli{200}\global\@ylswtrue% subst. on 2 - \or\gdef\@ylii{-120}\gdef\@yli{200}\global\@ylswtrue% subst. on 3 - \or\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 4 - \or\gdef\@ylii{-120}\gdef\@yli{-200}\global\@ylswtrue% subst. on 5 -\fi%end of ifcase -\fi\fi\fi}}% -\def\furanose{\@ifnextchar[{\@furanose}{\@furanose[r]}} -\def\@furanose[#1]#2{% -\@reset@ylsw% -\ylfuranoseposition{#2}% -\def\@@ylii{0}\def\@@yli{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(880,800)(-240,-400) - \iforigpt \put(-240,-400){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `furanose' origin: (0,0) ---> (240,400)} -\fi - \fi% - \put(0,0){\line(5,3){236}}% %bond 4-5 - \put(532,0){\line(-5,3){236}}% %bond 1-5 - {\thicklines% - \put(0,0){\line(3,-5){120}}% %bond 4-3 - \put(412,-200){\line(3,5){120}}% %bond 2-1 - \put(120,-200){\line(1,0){292}}}% %bond 3-2 - \putratom{236}{130}{O}% left type -\@tfor\member:=#1\do{% -\if\member r%no endcyclic double bonds -\else \if\member a% - \put(400,-150){\line(3,5){80}}% %double bond 2-1 -\else \if\member b% - \put(150,-160){\line(1,0){232}}% %double bond 3-2 -\else \if\member c% - \put(50,-12){\line(3,-5){80}}% %double bond 4-3 -\else \if\member d% - \put(50,0){\line(5,3){180}}% %double bond 4-5 -\else \if\member e% - \put(482,0){\line(-5,3){180}}% %double bond 1-5 -\fi\fi\fi\fi\fi\fi}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifx\@memberb\@yl\else -\ifcase\@tmpa%0 omit - \or \put(532,0){\@pyrana}% subst. on 1 - \or \put(412,-200){\@pyranb}% subst. on 2 - \or \put(120,-200){\@pyranbb}% subst. on 3 - \or \put(0,0){\@pyranc}% subst. on 4 -\fi%end of ifcase -\fi\fi% -}\end{picture}}% %end of \furanose macro -\def\ylfuranoseposition#1{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpa%0 omit - \or\gdef\@ylii{-532}\gdef\@yli{0}\global\@ylswtrue% subst. on 1 - \or\gdef\@ylii{-412}\gdef\@yli{200}\global\@ylswtrue% subst. on 2 - \or\gdef\@ylii{-120}\gdef\@yli{200}\global\@ylswtrue% subst. on 3 - \or\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 4 -\fi%end of ifcase -\fi\fi\fi}}% -\endinput -%% -%% End of file `hcycle.sty'. diff --git a/Master/texmf-dist/tex/latex/xymtex/hetarom.sty b/Master/texmf-dist/tex/latex/xymtex/hetarom.sty deleted file mode 100644 index 7dc815518c6..00000000000 --- a/Master/texmf-dist/tex/latex/xymtex/hetarom.sty +++ /dev/null @@ -1,3835 +0,0 @@ -%% -%% This is file `hetarom.sty', -%% generated with the docstrip utility. -%% -%% The original source files were: -%% -%% hetarom.dtx (with options: `hetarom') -%% -%% This is a generated file. -%% -%% Copyright 1996, 1998, 2000 by Shinsaku Fujita -%% -%% This file is part of the XyMTeX system. -%% ======================================= -%% -%% Version 1.01 Released on August 16, 1996 -%% Version 1.02 Released on October 31, 1998 (private version) -%% Version 2.00 Released on December 25, 1998 -%% Version 2.00a Released on November 11, 2000 -%% -%% Copyright (C) 1996,1998,2000 by Shinsaku Fujita, all rights reserved. -%% This style file is created for drawing chemical structural formulas -%% This style file is to be contained in the ``xymtex'' directory which -%% is an input directory for TeX. -%% -%% Copying of this file is authorized only if either -%% -%% (1) you make absolutely no changes to your copy, including name and -%% directory name -%% (2) if you do make changes, -%% (a) you name it something other than the names included in the -%% ``xymtex'' directory and -%% (b) you acknowledge the original name. -%% This restriction ensures that all standard styles are identical. -%% -%% ======================================= -%% -%% This file contains several codes modified from latex.tex (LaTeX2.09) -%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -%% Copyright 1994 the LaTeX3 project and the individual authors (For further -%% copyright information see the file legal.txt of the LaTeX2e standard -%% distribution, and any other copyright indicated in this file.) -%% -%% File: hetarom.dtx -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00} -\typeout{ -- Released December 25, 1998 by Shinsaku Fujita} -\def\j@urnalname{hetarom} -\def\versi@ndate{November 11, 2000} -\def\versi@nno{ver2.00a} -\def\copyrighth@lder{SF} % Shinsaku Fujita -\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>% -\space[\copyrighth@lder]} -\@ifundefined{setsixringv}{\input chemstr.sty\relax}{}% -\unitlength=0.1pt% -\iniatom% -\def\bonda{% - \ifx\aaa\empty% - \ifx\bbb\empty% - \put(6,364){\line(5,-3){126}}% %double bond 1-2 - \else% - \put(6,364){\line(5,-3){100}}% %double bond 1-2 - \fi% - \else% - \ifx\bbb\empty% - \put(35,340){\line(5,-3){100}}% %double bond 1-2 - \else% - \put(35,352){\line(5,-3){100}}% %double bond 1-2 - \fi% % line <1OO not available - \fi% - }% - \def\bondb{% - \ifx\bbb\empty% - \ifx\ccc\empty% - \put(138,129){\line(0,1){148}}% %double bond 3-2 - \else% - \put(138,143){\line(0,1){134}}% %double bond 3-2 - \fi% - \else% - \ifx\ccc\empty% - \put(138,129){\line(0,1){134}}% %double bond 3-2 - \else% - \put(138,143){\line(0,1){110}}% %double bond 3-2 - \fi% - \fi% -}% - \def\bondc{% - \ifx\ddd\empty% - \ifx\ccc\empty% - \put(6,42){\line(5,3){126}} %double bond 4-3 - \else% - \put(6,42){\line(5,3){100}} %double bond 4-3 - \fi% - \else% - \ifx\ccc\empty% - \put(35,66){\line(5,3){100}}% %double bond 4-3 - \else% - \put(35,60){\line(5,3){100}}% %double bond 4-3 - \fi% % line <1OO not available - \fi% -}% - \def\bondd{% - \ifx\ddd\empty% - \ifx\eee\empty% - \put(-6,42){\line(-5,3){126}}% %double bond 4-5 - \else% - \put(-6,42){\line(-5,3){100}}% %double bond 4-5 - \fi% - \else% - \ifx\eee\empty% - \put(-35,66){\line(-5,3){100}}% %double bond 4-5 - \else% - \put(-35,60){\line(-5,3){100}}% %double bond 4-5 - \fi% % line <1OO not available - \fi% - }% -\def\bonde{% - \ifx\fff\empty% - \ifx\eee\empty% - \put(-138,129){\line(0,1){148}}% %double bond 5-6 - \else% - \put(-138,143){\line(0,1){134}}% %double bond 5-6 - \fi% - \else% - \ifx\eee\empty% - \put(-138,129){\line(0,1){134}}% %double bond 5-6 - \else% - \put(-138,143){\line(0,1){110}}% %double bond 5-6 - \fi% - \fi% -}% -\def\bondf{% - \ifx\aaa\empty% - \ifx\fff\empty% - \put(-6,364){\line(-5,-3){126}}% %double bond 1-6 - \else% - \put(-6,364){\line(-5,-3){100}}% %double bond 1-6 - \fi% - \else% - \ifx\fff\empty% - \put(-35,340){\line(-5,-3){100}}% %double bond 1-6 - \else% - \put(-35,352){\line(-5,-3){100}}% %double bond 1-6 - \fi% % line <1OO not available - \fi% -}% -\def\bondhoriz{% - \ifx\fff\empty% - \ifx\bbb\empty% - \put(-138,270){\line(1,0){277}}% %double bond 4-3 - \else% - \put(-138,270){\line(1,0){258}}% %double bond 4-3 - \fi% - \else% - \ifx\bbb\empty% - \put(-120,270){\line(1,0){258}}% %double bond 4-3 - \else% - \put(-120,270){\line(1,0){239}}% %double bond 4-3 - \fi% - \fi}% -\def\bondhorizi{% - \ifx\eee\empty% - \ifx\ccc\empty% - \put(-138,136){\line(1,0){277}}% %double bond 4-3 - \else% - \put(-138,136){\line(1,0){258}}% %double bond 4-3 - \fi% - \else% - \ifx\ccc\empty% - \put(-120,136){\line(1,0){258}}% %double bond 4-3 - \else% - \put(-120,136){\line(1,0){239}}% %double bond 4-3 - \fi% - \fi}% -\def\skbonda{% - \ifx\aaa\empty% - \ifx\bbb\empty% - \put(0,406){\line(5,-3){171}}% %bond 1-2 - \else% - \put(0,406){\line(5,-3){136}}% %bond 1-2 - \fi% - \else% - \ifx\bbb\empty% - \put(35,385){\line(5,-3){136}}% %bond 1-2 - \else% - \put(35,385){\line(5,-3){100}}% %bond 1-2 - \fi% - \fi}% -\def\skbondf{% - \ifx\aaa\empty% - \ifx\fff\empty% - \put(0,406){\line(-5,-3){171}}% %bond 1-6 - \else% - \put(0,406){\line(-5,-3){136}}% %bond 1-6 - \fi% - \else% - \ifx\fff\empty% - \put(-35,385){\line(-5,-3){136}}% %bond 1-6 - \else% - \put(-35,385){\line(-5,-3){100}}% %bond 1-6 - \fi% - \fi}% -\def\skbondc{% - \ifx\ddd\empty% - \ifx\ccc\empty% - \put(0,0){\line(5,3){171}}% %bond 4-3 - \else% - \put(0,0){\line(5,3){136}}% %bond 4-3 - \fi% - \else% - \ifx\ccc\empty% - \put(35,21){\line(5,3){138}}% %bond 4-3 - \else% - \put(35,21){\line(5,3){100}}% %bond 4-3 - \fi% - \fi}% -\def\skbondd{% - \ifx\ddd\empty% - \ifx\eee\empty% - \put(0,0){\line(-5,3){171}}% %bond 4-5 - \else% - \put(0,0){\line(-5,3){136}}% %bond 4-5 - \fi% - \else% - \ifx\eee\empty% - \put(-35,21){\line(-5,3){138}}% %bond 4-5 - \else% - \put(-35,21){\line(-5,3){100}}% %bond 4-5 - \fi% - \fi}% -\def\skbondb{% - \ifx\bbb\empty%% - \ifx\ccc\empty%% - \put(171,103){\line(0,1){200}}% %bond 3-2 - \else% - \put(171,143){\line(0,1){160}}% %bond 3-2 - \fi% - \else% - \ifx\ccc\empty%% - \put(171,103){\line(0,1){150}}% %bond 3-2 - \else% - \put(171,143){\line(0,1){110}}% %bond 3-2 - \fi% - \fi}% -\def\skbonde{% - \ifx\eee\empty% - \ifx\fff\empty% - \put(-171,103){\line(0,1){200}}% %bond 5-6 - \else% - \put(-171,103){\line(0,1){150}}% %bond 5-6 - \fi% - \else% - \ifx\fff\empty% - \put(-171,143){\line(0,1){160}}% %bond 5-6 - \else% - \put(-171,143){\line(0,1){110}}% %bond 5-6 - \fi% - \fi}% -\def\skbondhoriz{% - \ifx\fff\empty% - \ifx\bbb\empty% - \put(-171,303){\line(1,0){342}}% %bond 4-3 - \else% - \put(-171,303){\line(1,0){300}}% %bond 4-3 - \fi% - \else% - \ifx\bbb\empty% - \put(171,303){\line(-1,0){300}}% %bond 4-3 - \else% - \put(-129,303){\line(1,0){258}}% %bond 4-3 - \fi% - \fi}% -\def\skbondhorizi{% - \ifx\eee\empty% - \ifx\ccc\empty% - \put(-171,103){\line(1,0){342}}% %bond 4-3 - \else% - \put(-171,103){\line(1,0){300}}% %bond 4-3 - \fi% - \else% - \ifx\ccc\empty% - \put(171,103){\line(-1,0){300}}% %bond 4-3 - \else% - \put(-129,103){\line(1,0){258}}% %bond 4-3 - \fi% - \fi}% -\def\set@outskel@sixv{% - \skbonda% bond between 1 and 2 - \skbondf% bond between 1 and 6 - \skbondc% bond between 4 and 3 - \skbondd% bond between 4 and 5 - \skbondb% bond between 3 and 2 - \skbonde% bond between 5 and 6 -} -\def\dotskbonda{% - \ifx\aaa\empty% - \ifx\bbb\empty% - \@ifundefined{dottedline}{% - \put(0,406){\line(5,-3){171}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(0,406)(171,303)}}% - \else% - \@ifundefined{dottedline}{% - \put(0,406){\line(5,-3){136}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(0,406)(136,324)}}% - \fi% - \else% - \ifx\bbb\empty% - \@ifundefined{dottedline}{% - \put(35,385){\line(5,-3){136}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(35,386)(171,303)}}% - \else% - \@ifundefined{dottedline}{% - \put(35,385){\line(5,-3){100}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(35,386)(136,324)}}% - \fi% - \fi}% -\def\dotskbondb{% - \ifx\bbb\empty%% - \ifx\ccc\empty%% - \@ifundefined{dottedline}{% - \put(171,103){\line(0,1){200}}% %bond 3-2 - }{{\thicklines% - \dottedline{20}(171,103)(171,303)}}% - \else% - \@ifundefined{dottedline}{% - \put(171,143){\line(0,1){160}}% %bond 3-2 - }{{\thicklines% - \dottedline{20}(171,143)(171,303)}}% - \fi% - \else% - \ifx\ccc\empty%% - \@ifundefined{dottedline}{% - \put(171,103){\line(0,1){150}}% %bond 3-2 - }{{\thicklines% - \dottedline{20}(171,103)(171,253)}}% - \else% - \@ifundefined{dottedline}{% - \put(171,143){\line(0,1){110}}% %bond 3-2 - }{{\thicklines% - \dottedline{20}(171,143)(171,253)}}% - \fi% - \fi}% -\def\dotskbondc{% - \ifx\ddd\empty% - \ifx\ccc\empty%% - \@ifundefined{dottedline}{% - \put(0,0){\line(5,3){171}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(0,0)(171,103)}}% - \else% - \@ifundefined{dottedline}{% - \put(0,0){\line(5,3){136}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(0,0)(136,81)}}% - \fi% - \else% - \ifx\ccc\empty% - \@ifundefined{dottedline}{% - \put(35,21){\line(5,3){138}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(35,21)(171,103)}}% - \else% - \@ifundefined{dottedline}{% - \put(35,21){\line(5,3){100}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(35,21)(136,81)}}% - \fi% - \fi}% -\def\dotskbondd{% - \ifx\ddd\empty% - \ifx\eee\empty% - \@ifundefined{dottedline}{% - \put(0,0){\line(-5,3){171}}% %bond 4-5 - }{{\thicklines% - \dottedline{20}(0,0)(-171,103)}}% - \else% - \@ifundefined{dottedline}{% - \put(0,0){\line(-5,3){136}}% %bond 4-5 - }{{\thicklines% - \dottedline{20}(0,0)(-136,81)}}% - \fi% - \else% - \ifx\eee\empty% - \@ifundefined{dottedline}{% - \put(-35,21){\line(-5,3){138}}% %bond 4-5 - }{{\thicklines% - \dottedline{20}(-35,21)(-171,103)}}% - \else% - \@ifundefined{dottedline}{% - \put(-35,21){\line(-5,3){100}}% %bond 4-5 - }{{\thicklines% - \dottedline{20}(-35,21)(-136,81)}}% - \fi% - \fi}% -\def\dotskbonde{% - \ifx\eee\empty% - \ifx\fff\empty% - \@ifundefined{dottedline}{% - \put(-171,103){\line(0,1){200}}% %bond 5-6 - }{{\thicklines% - \dottedline{20}(-171,103)(-171,303)}}% - \else% - \@ifundefined{dottedline}{% - \put(-171,103){\line(0,1){150}}% %bond 5-6 - }{{\thicklines% - \dottedline{20}(-171,103)(-171,253)}}% - \fi% - \else% - \ifx\fff\empty% - \@ifundefined{dottedline}{% - \put(-171,143){\line(0,1){160}}% %bond 5-6 - }{{\thicklines% - \dottedline{20}(-171,143)(-171,303)}}% - \else% - \@ifundefined{dottedline}{% - \put(-171,143){\line(0,1){110}}% %bond 5-6 - }{{\thicklines% - \dottedline{20}(-171,143)(-171,253)}}% - \fi% - \fi}% -\def\dotskbondf{% - \ifx\aaa\empty% - \ifx\fff\empty% - \@ifundefined{dottedline}{% - \put(0,406){\line(-5,-3){171}}% %bond 1-6 - }{{\thicklines% - \dottedline{20}(0,406)(-171,303)}}% - \else% - \@ifundefined{dottedline}{% - \put(0,406){\line(-5,-3){136}}% %bond 1-6 - }{{\thicklines% - \dottedline{20}(0,406)(-136,325)}}% - \fi% - \else% - \ifx\fff\empty% - \@ifundefined{dottedline}{% - \put(-35,385){\line(-5,-3){136}}% %bond 1-6 - }{{\thicklines% - \dottedline{20}(-35,385)(-171,303)}}% - \else% - \@ifundefined{dottedline}{% - \put(-35,385){\line(-5,-3){100}}% %bond 1-6 - }{{\thicklines% - \dottedline{20}(-35,385)(-136,325)}}% - \fi% - \fi}% -\def\dotskbondhoriz{% - \ifx\fff\empty% - \ifx\bbb\empty% - \@ifundefined{dottedline}{% - \put(-171,303){\line(1,0){342}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(-171,303)(171,303)}}% - \else% - \@ifundefined{dottedline}{% - \put(-171,303){\line(1,0){300}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(-171,303)(129,303)}}% - \fi% - \else% - \ifx\bbb\empty% - \@ifundefined{dottedline}{% - \put(171,303){\line(-1,0){300}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(171,303)(-129,303)}}% - \else% - \@ifundefined{dottedline}{% - \put(-129,303){\line(1,0){258}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(-129,303)(129,303)}}% - \fi% - \fi}% -\def\dotskbondhorizi{% - \ifx\eee\empty% - \ifx\ccc\empty% - \@ifundefined{dottedline}{% - \put(-171,103){\line(1,0){342}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(-171,103)(171,103)}}% - \else% - \@ifundefined{dottedline}{% - \put(-171,103){\line(1,0){300}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(-171,103)(129,103)}}% - \fi% - \else% - \ifx\ccc\empty% - \@ifundefined{dottedline}{% - \put(171,103){\line(-1,0){300}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(171,103)(-129,103)}}% - \else% - \@ifundefined{dottedline}{% - \put(-129,103){\line(1,0){258}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(-129,103)(129,103)}}% - \fi% - \fi}% -\newif\if@skbondlist -\@skbondlistfalse -\def\set@skel@bond#1#2#3{% - \expandafter\if\csname @#2#2#2\endcsname #2\relax%OK - % \if\@aaa #2\relax%OK - \@skbondlistfalse - \@tfor\member:=#1\do{% - \expandafter\twoCH@@R\member//% - \if\@@tmpa #2\relax% - \if\@@tmpb A\relax% - \expandafter\csname dotskbond#3\endcsname% \dotskbonda etc. - \@skbondlisttrue - \else\if\@@tmpb B\relax% - {\thicklines - \expandafter\csname skbond#3\endcsname% \skbonda etc. - }% - \@skbondlisttrue - \fi\fi - \fi% - }% - \if@skbondlist\else - {\thinlines - \expandafter\csname skbond#3\endcsname% \skbonda etc. - }% - \fi% - \else - \expandafter\ifx\csname @#2#2#2\endcsname \empty\relax% - % \ifx\@aaa\empty\relax - \@tfor\member:=#1\do{% - \expandafter\twoCH@@R\member//% - \if\@@tmpa #2\relax% - \XyMTeXWarning{Unavailable bond `#2' in SKBONDLIST}\fi - }% - \fi\fi -}% end of \set@skel@bond -\def\set@skel@longbond#1#2#3{% - \expandafter\if\csname @#2#2#2\endcsname #2\relax%OK - % \if\@aaa #2\relax%OK - \@skbondlistfalse - \@tfor\member:=#1\do{% - \expandafter\twoCH@@R\member//% - \if\@@tmpa #2\relax% - \if\@@tmpb A\relax% - \expandafter\csname dot#3\endcsname% \dotskbonda etc. - \@skbondlisttrue - \else\if\@@tmpb B\relax% - {\thicklines - \expandafter\csname #3\endcsname% \skbonda etc. - }% - \@skbondlisttrue - \fi\fi - \fi% - }% - \if@skbondlist\else - {\thinlines - \expandafter\csname #3\endcsname% \skbonda etc. - }% - \fi% - \else - \expandafter\ifx\csname @#2#2#2\endcsname \empty\relax% - % \ifx\@aaa\empty\relax - \@tfor\member:=#1\do{% - \expandafter\twoCH@@R\member//% - \if\@@tmpa #2\relax% - \XyMTeXWarning{Unavailable bond `#2' in SKBONDLIST}\fi - }% - \fi\fi -}% end of \set@skel@longbond -\def\@bond@@omit#1{% -\@tfor\memBer:=#1\do{% -\if\memBer a\relax\gdef\@aaa{}\fi% -\if\memBer A\relax\gdef\@aaa{}\fi% -\if\memBer b\relax\gdef\@bbb{}\fi% -\if\memBer B\relax\gdef\@bbb{}\fi% -\if\memBer c\relax\gdef\@ccc{}\fi% -\if\memBer C\relax\gdef\@ccc{}\fi% -\if\memBer d\relax\gdef\@ddd{}\fi% -\if\memBer D\relax\gdef\@ddd{}\fi% -\if\memBer e\relax\gdef\@eee{}\fi% -\if\memBer E\relax\gdef\@eee{}\fi% -\if\memBer f\relax\gdef\@fff{}\fi% -\if\memBer F\relax\gdef\@fff{}\fi% -\if\memBer g\relax\gdef\@ggg{}\fi% -\if\memBer G\relax\gdef\@ggg{}\fi% -\if\memBer h\relax\gdef\@hhh{}\fi% -\if\memBer H\relax\gdef\@hhh{}\fi% -\if\memBer i\relax\gdef\@iii{}\fi% -\if\memBer I\relax\gdef\@iii{}\fi% -\if\memBer j\relax\gdef\@jjj{}\fi% -\if\memBer J\relax\gdef\@jjj{}\fi% -\if\memBer k\relax\gdef\@kkk{}\fi% -\if\memBer K\relax\gdef\@kkk{}\fi% -}}% -\def\sixheterov{\@ifnextchar({\@six@heterov(@}{\@six@heterov(@)}} -\def\@six@heterov(#1){\@ifnextchar[{\@six@@heterov(#1)[@}% -{\@six@@heterov(#1)[@]}} -\def\@six@@heterov(#1)[#2]#3#4{\@ifnextchar[% -{\@sixheterov(#1)[#2]{#3}{#4}[@}% -{\@sixheterov(#1)[#2]{#3}{#4}[@]}} -\def\@sixheterov(#1)[#2]#3#4[#5]{% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{a}{b}{c}{d}{e}{f}% -\@reset@ylsw% -\ylposition{#4}{0}{0}{7}{0}% -\if@ylsw% -\yl@shiftii=\@ylii -\yl@shifti=\@yli -\advance\yl@shiftii\yl@xdiff -\advance\yl@shifti\yl@ydiff -\begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(800,880)(-\shiftii,-\shifti) - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `sixheterov' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -{% -\resetbdsw% -\@bond@@omit{#5}% -\set@skel@bond{#1}{a}{a}% bond between 1 and 2 \@aaa -> \skbonda etc -\set@skel@bond{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc -\set@skel@bond{#1}{c}{c}% bond between 3 and 4 \@ccc -> \skbondc etc -\set@skel@bond{#1}{d}{d}% bond between 4 and 5 \@ddd -> \skbondd etc -\set@skel@bond{#1}{e}{e}% bond between 5 and 6 \@eee -> \skbonde etc -\set@skel@bond{#1}{f}{f}% bond between 6 and 1 \@fff -> \skbondf etc -}% -%%%%%\set@outskel@sixv % replaced by above 1998/12/30 -\@tfor\member:=#2\do{% -\if\member r\relax \bondd \bondf \bondb% -\else\if\member l\relax \bonda \bondc \bonde% -\else\if\member a\relax \bonda% -\else\if\member b\relax \bondb% -\else\if\member c\relax \bondc% -\else\if\member d\relax \bondd% -\else\if\member e\relax \bonde% -\else\if\member f\relax \bondf% -\else\if\member A%left aromatic circle - \put(0,203){\circle{240}}% %circle -\else \expandafter\twoCH@@R\member//% - \set@fusionadd@sixv -\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% -\set@hetatom@sixv{#3}{0}{0}{7}{0}% %atom 1--6% -\setsixringv{#4}{0}{0}{7}{0}% %subst 1--6 -\end{picture}\iniatom\iniflag}% %end of \sixheterov macro -\def\sixheterovi{\@ifnextchar({\@six@heterovi(@}{\@six@heterovi(@)}} -\def\@six@heterovi(#1){\@ifnextchar[{\@six@@heterovi(#1)[@}% -{\@six@@heterovi(#1)[@]}} -\def\@six@@heterovi(#1)[#2]#3#4{\@ifnextchar[% -{\@sixheterovi(#1)[#2]{#3}{#4}[@}% -{\@sixheterovi(#1)[#2]{#3}{#4}[@]}} -\def\@sixheterovi(#1)[#2]#3#4[#5]{% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{d}{c}{b}{a}{f}{e}% -\@reset@ylsw% -\ylposition{#4}{5}{0}{5}{-1}% %subst 1--4 -\ylposition{#4}{11}{4}{7}{-1}% %subst 5 and 6 -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(800,880)(-\shiftii,-\shifti) - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `sixheterovi' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -{\resetbdsw% -\@bond@@omit{#5}% -\set@skel@bond{#1}{a}{c}% bond between 1 and 2 \@aaa -> \skbondc etc -\set@skel@bond{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc -\set@skel@bond{#1}{c}{a}% bond between 3 and 4 \@ccc -> \skbonda etc -\set@skel@bond{#1}{d}{f}% bond between 4 and 5 \@ddd -> \skbondf etc -\set@skel@bond{#1}{e}{e}% bond between 5 and 6 \@eee -> \skbonde etc -\set@skel@bond{#1}{f}{d}% bond between 6 and 1 \@fff -> \skbondd etc -}% -%%%\set@outskel@sixv% replaced by the above 1998/12/30 -\@tfor\member:=#2\do{% -\if\member r\relax \bondd \bondf \bondb% -\else\if\member l\relax \bonda \bondc \bonde% -\else\if\member a\relax \bondc% -\else\if\member b\relax \bondb% -\else\if\member c\relax \bonda% -\else\if\member d\relax \bondf% -\else\if\member e\relax \bonde% -\else\if\member f\relax \bondd% -\else\if\member A%left aromatic circle - \put(0,203){\circle{240}}% %circle -\else \expandafter\twoCH@@R\member//% - \set@fusionadd@sixvi -\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% -\set@hetatom@sixv{#3}{5}{0}{5}{-1}% %atom 1--4% -\set@hetatom@sixv{#3}{11}{4}{7}{-1}% %atom 5 and 6% -\setsixringv{#4}{5}{0}{5}{-1}% %subst 1--4 -\setsixringv{#4}{11}{4}{7}{-1}% %subst 5 and 6 -\end{picture}\iniatom\iniflag}% %end of \sixheterovi macro -\def\pyridinev{\@ifnextchar[{\@pyridinev[@}{\@pyridinev[r]}} -\def\@pyridinev[#1]#2{% -\iforigpt \typeout{command `pyridinev' % - is based on `sixheterov'.}\fi% -\sixheterov[#1]{1==N}{#2}}%end of \pyridinev macro -\def\pyridinevi{\@ifnextchar[{\@pyridinevi[@}{\@pyridinevi[r]}} -\def\@pyridinevi[#1]#2{% -\iforigpt \typeout{command `pyridinevi' % - is based on `sixheterovi'.}\fi% -\sixheterovi[#1]{1==N}{#2}}%end of \pyridinevi macro -\def\pyrazinev{\@ifnextchar[{\@pyrazinev[@}{\@pyrazinev[r]}} -\def\@pyrazinev[#1]#2{% -\iforigpt \typeout{command `pyrazinev' % - is based on `sixheterov'.}\fi% -\sixheterov[#1]{1==N;4==N}{#2}}%end of \pyrazinev macro -\def\pyrazinevi{\@ifnextchar[{\@pyrazinevi[@}{\@pyrazinevi[r]}} -\def\@pyrazinevi[#1]#2{% -\iforigpt \typeout{command `pyrazinevi' % - is based on `sixheterovi'.}\fi% -\sixheterovi[#1]{1==N;4==N}{#2}}%end of \pyrazinevi macro -\def\pyrimidinev{\@ifnextchar[{\@pyrimidinev[@}{\@pyrimidinev[r]}} -\def\@pyrimidinev[#1]#2{% -\iforigpt \typeout{command `pyrimidinev' % - is based on `sixheterov'.}\fi% -\sixheterov[#1]{1==N;3==N}{#2}}%end of \pyrimidinev macro -\def\pyrimidinevi{\@ifnextchar[{\@pyrimidinevi[@}{\@pyrimidinevi[r]}} -\def\@pyrimidinevi[#1]#2{% -\iforigpt \typeout{command `pyrimidinevi' % - is based on `sixheterovi'.}\fi% -\sixheterovi[#1]{1==N;3==N}{#2}}%end of \pyrimidinevi macro -\def\pyridazinev{\@ifnextchar[{\@pyridazinev[@}{\@pyridazinev[r]}} -\def\@pyridazinev[#1]#2{% -\iforigpt \typeout{command `pyridazinev' % - is based on `sixheterov'.}\fi% -\sixheterov[#1]{1==N;2==N}{#2}}%end of \pyridazinev macro -\def\pyridazinevi{\@ifnextchar[{\@pyridazinevi[@}{\@pyridazinevi[r]}} -\def\@pyridazinevi[#1]#2{% -\iforigpt \typeout{command `pyridazinev' % - is based on `sixheterovi'.}\fi% -\sixheterovi[#1]{1==N;2==N}{#2}}%end of \pyridazinevi macro -\def\triazinev{\@ifnextchar[{\@triazinev[@}{\@triazinev[r]}} -\def\@triazinev[#1]#2{% -\iforigpt \typeout{command `triazinev' % - is based on `sixheterov'.}\fi% -\sixheterov[#1]{1==N;3==N;5==N}{#2}}%end of \triazinev macro -\def\triazinevi{\@ifnextchar[{\@triazinevi[@}{\@triazinevi[r]}} -\def\@triazinevi[#1]#2{% -\iforigpt \typeout{command `triazinevi' % - is based on `sixheterovi'.}\fi% -\sixheterovi[#1]{1==N;3==N;5==N}{#2}}%end of \triazinevi macro -\def\fiveheterov{\@ifnextchar({\@five@heterov(@}{\@five@heterov(@)}} -\def\@five@heterov(#1){\@ifnextchar[{\@five@@heterov(#1)[@}% -{\@five@@heterov(#1)[@]}} -\def\@five@@heterov(#1)[#2]#3#4{\@ifnextchar[% -{\@fiveheterov(#1)[#2]{#3}{#4}[@}% -{\@fiveheterov(#1)[#2]{#3}{#4}[@]}} -\def\@fiveheterov(#1)[#2]#3#4[#5]{% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{d}{c}{b}{f}{e}{a}% -\@reset@ylsw% -\ylposition{#4}{5}{1}{5}{-1}% % for 1 to 3 -\ylposition{#4}{10}{4}{7}{-1}% % for 4 to 5 -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(800,880)(-\shiftii,-\shifti)% - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `fiveheterov' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -{\resetbdsw% -\@bond@@omit{#5}% -\set@skel@bond{#1}{a}{c}% bond between 1 and 2 \@aaa -> \skbondc etc -\set@skel@bond{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc -\set@skel@longbond{#1}{c}{skbondhoriz}% - % bond between 3 and 4 \@ccc -> \skbondhoriz etc -\set@skel@bond{#1}{d}{e}% bond between 4 and 5 \@ddd -> \skbonde etc -\set@skel@bond{#1}{e}{d}% bond between 5 and 1 \@eee -> \skbondd etc -}% -\@tfor\member:=#2\do{% -\if\member r% -\else\if\member a\relax \bondc% -\else\if\member b\relax \bondb% -\else\if\member c\relax \bondhoriz% -\else\if\member d\relax \bonde% -\else\if\member e\relax \bondd% -\else\if\member A\relax% - \put(0,173){\circle{180}}%aromatic circle -\else - \expandafter\twoCH@@R\member//% - \set@fusionadd@fivev -\fi\fi\fi\fi\fi\fi\fi}% -\set@hetatom@sixv{#3}{5}{1}{5}{-1}% % for 1 to 3 -\set@hetatom@sixv{#3}{10}{4}{7}{-1}% % for 4 to 5 -\setsixringv{#4}{5}{1}{5}{-1}% % for 1 to 3 -\setsixringv{#4}{10}{4}{7}{-1}% % for 4 to 5 -\end{picture}\iniatom\iniflag}% end of \fiveheterov macro -\def\fiveheterovi{\@ifnextchar({\@five@heterovi(@}{\@five@heterovi(@)}} -\def\@five@heterovi(#1){\@ifnextchar[{\@five@@heterovi(#1)[@}% -{\@five@@heterovi(#1)[@]}} -\def\@five@@heterovi(#1)[#2]#3#4{\@ifnextchar[% -{\@fiveheterovi(#1)[#2]{#3}{#4}[@}% -{\@fiveheterovi(#1)[#2]{#3}{#4}[@]}} -\def\@fiveheterovi(#1)[#2]#3#4[#5]{% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{a}{b}{c}{e}{f}{d}% d -- dummy -\@reset@ylsw% -\ylposition{#4}{0}{0}{4}{0}% % for 1 to 3 -\ylposition{#4}{1}{4}{7}{0}% % for 4 to 5 -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(800,880)(-\shiftii,-\shifti)% - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `fiveheterovi' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -{\resetbdsw% -\@bond@@omit{#5}% -\set@skel@bond{#1}{a}{a}% bond between 1 and 2 \@aaa -> \skbonda etc -\set@skel@bond{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc -\set@skel@longbond{#1}{c}{skbondhorizi}% - % bond between 3 and 4 \@ccc -> \skbondhorizi etc -\set@skel@bond{#1}{d}{e}% bond between 4 and 5 \@ddd -> \skbonde etc -\set@skel@bond{#1}{e}{f}% bond between 5 and 6 \@eee -> \skbondf etc -}% -\@tfor\member:=#2\do{% -\if\member r% -\else\if\member a\relax \bonda% -\else\if\member b\relax \bondb% -\else\if\member c\relax \bondhorizi% -\else\if\member d\relax \bonde% -\else\if\member e\relax \bondf% -\else\if\member A\relax% - \put(0,233){\circle{180}}%aromatic circle -\else - \expandafter\twoCH@@R\member//% - \set@fusionadd@fivevi -\fi\fi\fi\fi\fi\fi\fi}% -\set@hetatom@sixv{#3}{0}{0}{4}{0}% % for 1 to 3 -\set@hetatom@sixv{#3}{1}{4}{7}{0}% % for 4 to 5 -\setsixringv{#4}{0}{0}{4}{0}% % for 1 to 3 -\setsixringv{#4}{1}{4}{7}{0}% % for 4 to 5 -\end{picture}\iniatom\iniflag}%end of \fiveheterovi macro -\def\pyrrolev{\@ifnextchar[{\@pyrrolev[@}{\@pyrrolev[bd]}} -\def\@pyrrolev[#1]#2{% -\iforigpt \typeout{command `pyrrolev' % - is based on `fiveheterov'.}\fi% -\fiveheterov[#1]{1==N}{#2}} -\def\pyrazolev{\@ifnextchar[{\@pyrazolev[@}{\@pyrazolev[bd]}} -\def\@pyrazolev[#1]#2{% -\iforigpt \typeout{command `pyrazolev' % - is based on `fiveheterov'.}\fi% -\fiveheterov[#1]{1==N;2==N}{#2}} -\def\imidazolev{\@ifnextchar[{\@imidazolev[@}{\@imidazolev[bd]}} -\def\@imidazolev[#1]#2{% -\iforigpt \typeout{command `imidazolev' % - is based on `fiveheterov'.}\fi% -\fiveheterov[#1]{1==N;3==N}{#2}} -\def\isoxazolev{\@ifnextchar[{\@isoxazolev[@}{\@isoxazolev[bd]}} -\def\@isoxazolev[#1]#2{% -\iforigpt \typeout{command `isoxazolev' % - is based on `fiveheterov'.}\fi% -\fiveheterov[#1]{1==O;2==N}{#2}} -\def\oxazolev{\@ifnextchar[{\@oxazolev[@}{\@oxazolev[bd]}} -\def\@oxazolev[#1]#2{% -\iforigpt \typeout{command `oxazolev' % - is based on `fiveheterov'.}\fi% -\fiveheterov[#1]{1==O;3==N}{#2}} -\def\furanv{\@ifnextchar[{\@furanv[@}{\@furanv[bd]}} -\def\@furanv[#1]#2{% -\iforigpt \typeout{command `furanv' % - is based on `fiveheterov'.}\fi% -\fiveheterov[#1]{1==O}{#2}} -\def\thiophenev{\@ifnextchar[{\@thiophenev[@}{\@thiophenev[bd]}} -\def\@thiophenev[#1]#2{% -\iforigpt \typeout{command `thiophenev' % - is based on `fiveheterov'.}\fi% -\fiveheterov[#1]{1==S}{#2}} -\def\pyrrolevi{\@ifnextchar[{\@pyrrolevi[@}{\@pyrrolevi[bd]}} -\def\@pyrrolevi[#1]#2{% -\iforigpt \typeout{command `pyrrolevi' % - is based on `fiveheterovi'.}\fi% -\fiveheterovi[#1]{1==N}{#2}} -\def\pyrazolevi{\@ifnextchar[{\@pyrazolevi[@}{\@pyrazolevi[bd]}} -\def\@pyrazolevi[#1]#2{% -\iforigpt \typeout{command `pyrazolevi' % - is based on `fiveheterovi'.}\fi% -\fiveheterovi[#1]{1==N;2==N}{#2}} -\def\imidazolevi{\@ifnextchar[{\@imidazolevi[@}{\@imidazolevi[bd]}} -\def\@imidazolevi[#1]#2{% -\iforigpt \typeout{command `imidazolevi' % - is based on `fiveheterovi'.}\fi% -\fiveheterovi[#1]{1==N;3==N}{#2}} -\def\isoxazolevi{\@ifnextchar[{\@isoxazolevi[@}{\@isoxazolevi[bd]}} -\def\@isoxazolevi[#1]#2{% -\iforigpt \typeout{command `isoxazolevi' % - is based on `fiveheterovi'.}\fi% -\fiveheterovi[#1]{1==O;2==N}{#2}} -\def\oxazolevi{\@ifnextchar[{\@oxazolevi[@}{\@oxazolevi[bd]}} -\def\@oxazolevi[#1]#2{% -\iforigpt \typeout{command `oxazolevi' % - is based on `fiveheterovi'.}\fi% -\fiveheterovi[#1]{1==O;3==N}{#2}} -\def\furanvi{\@ifnextchar[{\@furanvi[@}{\@furanvi[bd]}} -\def\@furanvi[#1]#2{% -\iforigpt \typeout{command `furanvi' % - is based on `fiveheterovi'.}\fi% -\fiveheterovi[#1]{1==O}{#2}} -\def\thiophenevi{\@ifnextchar[{\@thiophenevi[@}{\@thiophenevi[bd]}} -\def\@thiophenevi[#1]#2{% -\iforigpt \typeout{command `thiophenevi' % - is based on `fiveheterovi'.}\fi% -\fiveheterovi[#1]{1==S}{#2}} -\def\decaheterov{\@ifnextchar({\@deca@heterov(@}{\@deca@heterov(@)}} -\def\@deca@heterov(#1){\@ifnextchar[{\@deca@@heterov(#1)[@}% -{\@deca@@heterov(#1)[@]}} -\def\@deca@@heterov(#1)[#2]#3#4{\@ifnextchar[% -{\@decaheterov(#1)[#2]{#3}{#4}[@}% -{\@decaheterov(#1)[#2]{#3}{#4}[@]}} -\def\@decaheterov(#1)[#2]#3#4[#5]{% -\iniflag\iniatom% -\test@vertix@sixv{#3}{a}{b}{c}{d}{e}{f}% -\test@vertix@decav{#3}{g}{h}{i}{j}{@}{@}% -\@reset@ylsw% -\ylhetposition{#4}{0}{0}{5}{0}% %substituents on 1 to 4 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi -\else -\ylhetposition{#4}{-1}{3}{7}{0}% %substituents on 5 to 7 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -\ylhetposition{#4}{-7}{0}{2}{0}% %substituent on 8 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@iclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-8}{7}% %9 %for 4a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-171}\def\@@yli{-103}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@jclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-9}{1}% %10 for 8a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-171}\def\@@yli{-303}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(1200,880)(-\shiftii,-\shifti)% - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `decaheterov' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -\begingroup -\resetbdsw% -\@bond@@omit{#5}% -{\let\fff=\jjj \let\eee=\iii% -\put(342,0){\set@skel@bond{#1}{a}{a}}% - % bond between 1 and 2 \@aaa -> \skbonda etc -\put(342,0){\set@skel@bond{#1}{b}{b}}% - % bond between 2 and 3 \@bbb -> \skbondb etc -\put(342,0){\set@skel@bond{#1}{c}{c}}% - % bond between 3 and 4 \@ccc -> \skbondc etc -\put(342,0){\set@skel@bond{#1}{d}{d}}% - % bond between 4 and 4a \@ddd -> \skbondd etc -\put(342,0){\set@skel@bond{#1}{k}{e}}% - % bond between 4a and 8a \@kkk -> \skbonde etc -\put(342,0){\set@skel@bond{#1}{j}{f}}% - % bond between 8a and 1 \@jjj -> \skbondf etc -}% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% -\set@skel@bond{#1}{i}{a}% bond between 8 and 8a \@iii -> \skbonda etc -\set@skel@bond{#1}{e}{c}% bond between 5 and 4a \@eee -> \skbondc etc -\set@skel@bond{#1}{f}{d}% bond between 5 and 6 \@fff -> \skbondd etc -\set@skel@bond{#1}{g}{e}% bond between 6 and 7 \@ggg -> \skbonde etc -\set@skel@bond{#1}{h}{f}% bond between 7 and 8 \@hhh -> \skbondf etc -}% -\endgroup -\@tfor\member:=#2\do{% -\if\member r\relax% -{\let\fff=\jjj \let\eee=\iii% - \put(342,0){\bonda}% bond between 1 and 2 - \put(342,0){\bondc}% bond between 3 and 4 -}% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% - \put(0,0){\bondb}% bond between 8a and 4a - \put(0,0){\bondf}% bond between 8 and 7 - \put(0,0){\bondd}% bond between 5 and 6 -}% -\else\if\member l\relax% -\else\if\member a\relax% - \put(342,0){\bonda}% bond between 1 and 2 -\else\if\member b\relax - \put(342,0){\bondb}% bond between 2 and 3 -\else\if\member c\relax - \put(342,0){\bondc}% bond between 3 and 4 -\else\if\member d\relax% -{\let\eee=\iii% - \put(342,0){\bondd}% bond between 4 and 4a -}% -\else\if\member e\relax% -{\let\ccc=\iii \let\ddd=\eee% - \put(0,0){\bondc}% bond between 5 and 4a -}% -\else\if\member f\relax% -{\let\ddd=\eee \let\eee=\fff% - \put(0,0){\bondd}% bond between 5 and 6 -}% -\else\if\member g\relax% -{\let\eee=\fff \let\fff=\ggg% - \put(0,0){\bonde}% bond between 6 and 7 -}% -\else\if\member h\relax% -{\let\aaa=\hhh \let\fff=\ggg% - \put(0,0){\bondf}% bond between 8 and 7 -}% -\else\if\member i\relax% -{\let\aaa=\hhh \let\bbb=\jjj% - \put(0,0){\bonda}% bond between 8 and 8a -}% -\else\if\member j\relax% -{\let\fff=\jjj% - \put(342,0){\bondf}% bond between 1 and 8a -}% -\else\if\member k\relax% -{\let\ccc=\iii\let\bbb=\jjj% - \put(0,0){\bondb}% bond between 8a and 4a -}% -\else\if\member K\relax% -{\let\eee=\iii\let\fff=\jjj% - \put(342,0){\bonde}% bond between 8a and 4a in the other ring -}% -\else\if\member A%left aromatic circle - \put(0,203){\circle{240}} %circle -\else\if\member B%left aromatic circle - \put(342,203){\circle{240}} %circle -\else - \expandafter\twoCH@@R\member// - \def\aax{8a}\def\aay{4a}\def\aaz{10}% - \if\@@tmpa 1\relax% % plus charge etc. - \putratom{304}{282}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{402}{253}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{402}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{304}{68}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{-38}{68}{\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putlatom{-60}{253}{\@@tmpb}% % left type - \else\if\@@tmpa 7\relax% - \putlatom{-60}{120}{\@@tmpb}% % left type - \else\if\@@tmpa 8\relax% - \putratom{-38}{282}{\@@tmpb}% % right type - \else\if\@@tmpa 9\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aaz\relax%1998/10/17 - \putratom{60}{253}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aax\relax% - \putratom{60}{253}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aay\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \expandafter\twoCH@R\member//% - \set@fusion@decav -\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -\fi\fi\fi\fi\fi\fi% -}% -\iniflag -\put(342,0){\set@hetatom@sixv{#3}{0}{0}{5}{0}% - \if@aclip \global\@acliptrue\fi - \if@bclip \global\@bcliptrue\fi - \if@cclip \global\@ccliptrue\fi - \if@clip \global\@cliptrue\fi}% %substituents on 1 to 4 -\put(0,0){\iniflag%2000/11/11 by S. Fujita - \set@hetatom@sixv{#3}{-1}{3}{7}{0}% - \@gclipfalse \if@fclip \global\@gcliptrue \fi% - \@fclipfalse \if@eclip \global\@fcliptrue \fi% - \@eclipfalse \if@clip \global\@ecliptrue \fi}%substituents on 5 to 7 -\put(0,0){\iniflag%2000/11/11 by S. Fujita - \set@hetatom@sixv{#3}{-7}{0}{2}{0}% - \@hclipfalse \if@aclip \global\@hcliptrue \fi}%%substituent on 8 -\put(0,0){\set@vrtx@fuse{#3}% - \if@iclip \global\@icliptrue \fi - \if@jclip \global\@jcliptrue \fi}% fused positions -\put(342,0){\setsixringv{#4}{0}{0}{5}{0}}% %substituents on 1 to 4 -{% - \@clipfalse \if@eclip \@cliptrue \fi% %substituents on 5 to 7 - \@eclipfalse \if@fclip \@ecliptrue \fi% - \@fclipfalse \if@gclip \@fcliptrue \fi% -\put(0,0){\setsixringv{#4}{-1}{3}{7}{0}}% -}% -{\@aclipfalse \if@hclip \@acliptrue \fi% %substituent on 8 -\put(0,0){\setsixringv{#4}{-7}{0}{2}{0}}% -}% -{\@clipfusefalse \if@iclip \@clipfusetrue \fi% - \put(171,103){\setatombond{#4}{-8}{7}}% %9 %for 4a position -}% -{\@clipfusefalse \if@jclip \@clipfusetrue \fi% - \put(171,303){\setatombond{#4}{-9}{1}}% %10 for 8a position -}% -\end{picture}\iniatom\iniflag}% %end of \decaheterov macro -\def\clipdetection{% -\ifx\aaa\empty\else% - \@acliptrue% -\fi% -\ifx\bbb\empty\else% - \@bcliptrue% -\fi% -\ifx\ccc\empty\else% - \@ccliptrue% -\fi% -\ifx\ddd\empty\else% - \@cliptrue% -\fi% -{\let\eee=\iii% -\ifx\eee\empty\else% - \global\@icliptrue% -\fi% -}% -{\let\fff=\jjj% -\ifx\fff\empty\else% - \global\@jcliptrue% -\fi% -}% -{\let\ddd=\eee% -\ifx\ddd\empty\else - \global\@ecliptrue% -\fi% -}% -{\let\eee=\fff% -\ifx\eee\empty\else% - \global\@fcliptrue% -\fi% -}% -{\let\fff=\ggg% -\ifx\fff\empty\else% - \global\@gcliptrue% -\fi% -}% -{\let\aaa=\hhh% -\ifx\aaa\empty\else% - \global\@hcliptrue% -\fi% -}}% end \clipdetection -\def\ylhetposition#1#2#3#4#5{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}\relax% -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifnum#5<0\relax% -\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax% -\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax\fi -\ifnum\@tmpaa>#3\relax% -\ifnum\@tmpaa<#4\relax% -\ifcase\@tmpaa%0 omit - \or - \ifx\aaa\empty - \ifx\hhh\empty% aaa and hhh are absent - \gdef\@ylii{0}\gdef\@yli{-406}\global\@ylswtrue%\@ylatrue% subst. on 1 - \else% hhh is present - \def\@ylii{0}\def\@yli{-442}\@ylswtrue%\@ylatrue% subst. on 1 - \fi - \else%aaa is present - \def\@ylii{0}\def\@yli{-442}\@ylswtrue%\@ylatrue% subst. on 1 - \fi - \or\ifx\bbb\empty - \def\@ylii{-171}\def\@yli{-303}\@ylswtrue%\@ylbtrue% subst. on 2 - \else - \def\@ylii{-213}\def\@yli{-327}\@ylswtrue%\@ylbtrue% subst. on 2 - \fi - \or\ifx\ccc\empty - \def\@ylii{-171}\def\@yli{-103}\@ylswtrue%\@ylctrue% subst. on 3 - \else - \def\@ylii{-213}\def\@yli{-79}\@ylswtrue%\@ylctrue% subst. on 3 - \fi - \or\ifx\ddd\empty - \ifx\eee\empty% ddd and eee are absent - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%\@yldtrue% subst. on 4 - \else% eee present - \gdef\@ylii{0}\gdef\@yli{36}\global\@ylswtrue%\@yldtrue% subst. on 4 - \fi - \else% ddd present - \gdef\@ylii{0}\gdef\@yli{36}\global\@ylswtrue%\@yldtrue% subst. on 4 - \fi - \or - \ifx\eee\empty - \ifx\iii\empty - \ifx\fff\empty% eee, iii and fff are absent - \def\@ylii{173}\def\@yli{-103}\@ylswtrue%\@yletrue% subst. on 5 - \else% fff is present - \def\@ylii{213}\def\@yli{-79}\@ylswtrue%\@yletrue% subst. on 5 - \fi - \fi - \else% eee is present - \def\@ylii{213}\def\@yli{-79}\@ylswtrue%\@yletrue% subst. on 5 - \fi - \or - \ifx\fff\empty - \ifx\jjj\empty - \ifx\ggg\empty% fff, jjj, and ggg are absent - \def\@ylii{173}\def\@yli{-303}\@ylswtrue%\@ylftrue% subst. on 6 - \else%ggg is present - \def\@ylii{213}\def\@yli{-327}\@ylswtrue%\@ylftrue% subst. on 6 - \fi - \fi - \else%fff is present - \def\@ylii{213}\def\@yli{-327}\@ylswtrue%\@ylftrue% subst. on 6 - \fi% -\fi%end of ifcase -\fi\fi\fi\fi\fi}}% -\def\decaheterovi{\@ifnextchar({\@deca@heterovi(@}{\@deca@heterovi(@)}} -\def\@deca@heterovi(#1){\@ifnextchar[{\@deca@@heterovi(#1)[@}% -{\@deca@@heterovi(#1)[@]}} -\def\@deca@@heterovi(#1)[#2]#3#4{\@ifnextchar[% -{\@decaheterovi(#1)[#2]{#3}{#4}[@}% -{\@decaheterovi(#1)[#2]{#3}{#4}[@]}} -\def\@decaheterovi(#1)[#2]#3#4[#5]{% -\iniflag\iniatom% -%%\test@vertix@sixv{#3}{d}{c}{b}{a}{h}{g}% -%%\test@vertix@decav{#3}{f}{e}{i}{j}{@}{@}%{i}{j} fixed -\test@vertix@decavi{#3}% -\@reset@ylsw% -\ylhetposition{#4}{5}{0}{5}{-1}% %substituents on 1 to 4 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi -\else -\ylhetposition{#4}{12}{3}{7}{-1}% %substituents on 6 to 8 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -\ylhetposition{#4}{-4}{0}{2}{0}% %substituent on 5 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@iclip \@clipfusetrue \fi% - \ylatombondposition{#4}{-9}{7}% %10 for 8a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-171}\def\@@yli{-103}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@jclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-8}{1}% %9 for 4a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-171}\def\@@yli{-303}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(1200,880)(-\shiftii,-\shifti)% - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `decaheterovi' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -\begingroup -\resetbdsw% -\@bond@@omit{#5}% -{\let\fff=\jjj \let\eee=\iii% -\put(342,0){\set@skel@bond{#1}{c}{a}}% - % bond between 1 and 2 \@aaa -> \skbonda etc -\put(342,0){\set@skel@bond{#1}{b}{b}}% - % bond between 2 and 3 \@bbb -> \skbondb etc -\put(342,0){\set@skel@bond{#1}{a}{c}}% - % bond between 3 and 4 \@ccc -> \skbondc etc -\put(342,0){\set@skel@bond{#1}{j}{d}}% - % bond between 4 and 4a \@ddd -> \skbondd etc -\put(342,0){\set@skel@bond{#1}{k}{e}}% - % bond between 4a and 8a \@kkk -> \skbonde etc -\put(342,0){\set@skel@bond{#1}{d}{f}}% - % bond between 8a and 1 \@jjj -> \skbondf etc -}% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% -\set@skel@bond{#1}{e}{a}% bond between 8 and 8a \@eee -> \skbonda etc -\set@skel@bond{#1}{i}{c}% bond between 5 and 4a \@iii -> \skbondc etc -\set@skel@bond{#1}{h}{d}% bond between 5 and 6 \@hhh -> \skbondd etc -\set@skel@bond{#1}{g}{e}% bond between 6 and 7 \@ggg -> \skbonde etc -\set@skel@bond{#1}{f}{f}% bond between 7 and 8 \@fff -> \skbondf etc -}% -\endgroup -\@tfor\member:=#2\do{% -\if\member r\relax% -{\let\fff=\jjj \let\eee=\iii% - \put(342,0){\bonda}% bond between 1 and 2 - \put(342,0){\bondc}% bond between 3 and 4 -}% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% - \put(0,0){\bondb}% bond between 8a and 4a - \put(0,0){\bondf}% bond between 8 and 7 - \put(0,0){\bondd}% bond between 5 and 6 -}% -\else\if\member l\relax% -\else\if\member a\relax% - \put(342,0){\bondc}% bond between 3 and 4 -\else\if\member b\relax% - \put(342,0){\bondb}% bond between 2 and 3 -\else\if\member c\relax% - \put(342,0){\bonda}% bond between 1 and 2 -\else\if\member d\relax% -{\let\fff=\jjj% - \put(342,0){\bondf}% bond between 1 and 8a -}% -\else\if\member e\relax% -{\let\aaa=\hhh \let\bbb=\jjj% - \put(0,0){\bonda}% bond between 8 and 8a -}% -\else\if\member f\relax% -{\let\aaa=\hhh \let\fff=\ggg% - \put(0,0){\bondf}% bond between 8 and 7 -}% -\else\if\member g\relax% -{\let\eee=\fff \let\fff=\ggg% - \put(0,0){\bonde}% bond between 6 and 7 -}% -\else\if\member h\relax% -{\let\ddd=\eee \let\eee=\fff% - \put(0,0){\bondd}% bond between 5 and 6 -}% -\else\if\member i\relax% -{\let\ccc=\iii \let\ddd=\eee% - \put(0,0){\bondc}% bond between 5 and 4a -}% -\else\if\member j\relax% -{\let\eee=\iii% - \put(342,0){\bondd}% bond between 4 and 4a -}% -\else\if\member k\relax% -{\let\ccc=\iii\let\bbb=\jjj% - \put(0,0){\bondb}% bond between 8a and 4a -}% -\else\if\member K\relax% -{\let\eee=\iii\let\fff=\jjj% - \put(342,0){\bonde}% bond between 8a and 4a in the other ring -}% -\else\if\member A%left aromatic circle - \put(0,203){\circle{240}} %circle -\else\if\member B%left aromatic circle - \put(342,203){\circle{240}} %circle -\else - \expandafter\twoCH@@R\member//% - \def\aax{4a}\def\aay{8a}\def\aaz{10}% - \if\@@tmpa 4\relax% % plus charge etc. - \putratom{304}{282}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{402}{253}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{402}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 1\relax% - \putratom{304}{68}{\@@tmpb}% % right type - \else\if\@@tmpa 7\relax% - \putlatom{-60}{253}{\@@tmpb}% % left type - \else\if\@@tmpa 6\relax% - \putlatom{-60}{120}{\@@tmpb}% % left type - \else\if\@@tmpa 5\relax% - \putratom{-38}{282}{\@@tmpb}% % right type - \else\if\@@tmpa 9\relax% - \putratom{60}{253}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aax\relax% - \putratom{60}{253}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aay\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aaz\relax% 1998/10/17 by S. Fujita - \putratom{60}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 8\relax% - \putratom{-38}{68}{\@@tmpb}% % right type - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \expandafter\twoCH@R\member//% - \set@fusion@decavi -\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -\fi\fi\fi\fi\fi\fi% -}% -\iniflag\iniatom% -\@tmpclipfalse -\put(0,0){\set@hetatom@sixv{#3}{12}{3}{7}{-1}% - \@gclipfalse \if@fclip \global\@gcliptrue \fi% - \@fclipfalse \if@eclip \global\@fcliptrue \fi% - \@eclipfalse \if@clip \global\@ecliptrue \fi% -}%substituents on 6 to 8 -\put(0,0){\set@hetatom@sixv{#3}{-4}{0}{2}{0}% - \@aclipfalse \if@aclip \global\@hcliptrue \fi% -}%%substituent on 5 -\put(0,0){\set@vrtx@decafusevi{#3}% - \@tmpclipfalse - \if@iclip \global\@tmpcliptrue \fi - \if@jclip \global\@icliptrue \fi - \if@tmpclip \global\@jcliptrue \fi -}% fused positions -\put(342,0){\set@hetatom@sixv{#3}{5}{0}{5}{-1}% - \if@aclip \global\@acliptrue\fi - \if@bclip \global\@bcliptrue\fi - \if@cclip \global\@ccliptrue\fi - \if@clip \global\@cliptrue\fi -}% %substituents on 1 to 4 -\put(342,0){\setsixringv{#4}{5}{0}{5}{-1}}% %substituents on 1 to 4 -{\@clipfalse \if@eclip \@cliptrue \fi% %substituents on 6 to 8 - \@eclipfalse \if@fclip \@ecliptrue \fi% - \@fclipfalse \if@gclip \@fcliptrue \fi% -\put(0,0){\setsixringv{#4}{12}{3}{7}{-1}}% -} -{\@aclipfalse \if@hclip \@acliptrue \fi% %substituent on 5 -\put(0,0){\setsixringv{#4}{-4}{0}{2}{0}}% -}% -{\@clipfusefalse \if@iclip \@clipfusetrue \fi% - \put(171,103){\setatombond{#4}{-9}{7}}% %10 for 8a position -}% -{\@clipfusefalse \if@jclip \@clipfusetrue \fi% - \put(171,303){\setatombond{#4}{-8}{1}}% %9 for 4a position -}% -\end{picture}\iniatom\iniflag}% %end of \decaheterovi macro -\newif\if@tmpclip \@tmpclipfalse -\def\test@vertix@decavi#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa% - \or% - \if\@tmpb s\relax\def\ddd{}\else\def\ddd{@}\fi - \or%2 - \if\@tmpb s\relax\def\ccc{}\else\def\ccc{@}\fi - \or%3 - \if\@tmpb s\relax\def\bbb{}\else\def\bbb{@}\fi - \or% - \if\@tmpb a% - \def\jjj{@}%4a - \else\if\@tmpb s% - \def\aaa{}%4 - \else\if\@tmpb h% - \def\aaa{@}%4 - \else\ifx\@tmpb\empty% - \def\aaa{@}%4 - \fi\fi\fi\fi% - \or%5 - \if\@tmpb s\relax\def\hhh{}\else\def\hhh{@}\fi - \or%6 - \if\@tmpb s\relax\def\ggg{}\else\def\ggg{@}\fi - \or%7 - \if\@tmpb s\relax\def\fff{}\else\def\fff{@}\fi - \or% - \if\@tmpb a% - \xdef\iii{@}%8a - \else\if\@tmpb s% - \xdef\eee{}%8s - \else\if\@tmpb h% - \xdef\eee{@}%8h - \else\ifx\@tmpb\empty% - \xdef\eee{@}%8 - \fi\fi\fi\fi% -\or%9 (= 4a) - \if\@tmpb s\relax\def\jjj{}\else\def\jjj{@}\fi -\or%10 (= 8a) - \if\@tmpb s\relax\def\iii{}\else\def\iii{@}\fi -\fi\fi}} -\def\set@vrtx@decafusevi#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa\or\or\or - \or%%%%4 - \if\@tmpb a% - \global\@icliptrue% - \putlatom{207}{280}{\@memberb}% % left type - \else\relax - \fi - \or\or\or - \or%8 - \if\@tmpb a% - \global\@jcliptrue% - \putlatom{207}{65}{\@memberb}% % left type - \else\relax - \fi -\or%9 (= 4a) - \global\@icliptrue% - \putlatom{207}{280}{\@memberb}% % left type -\or%10 (= 8a) - \global\@jcliptrue% - \putlatom{207}{65}{\@memberb}% % left type -\fi\fi}% -}% end of the macro \set@vrtx@decafusevi -\def\set@fusion@decavi{% - \let\@@tmpa=\@tmpa - \let\@@tmpb=\@tmpb - \if\@tmpa a% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixvi}% - \else\if\@tmpa A% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixvi}% - \else\if\@tmpa b% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixvi}% - \else\if\@tmpa B% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixvi}% - \else\if\@tmpa c% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixvi}% - \else\if\@tmpa C% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixvi}% - \else\if\@tmpa d% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixvi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `d'}% - \fi - \else\if\@tmpa D% - \let\@@tmpa=\@tmpa - \put(342,0){\set@fusionadd@sixvi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `D'}% - \fi - \else\if\@tmpa e% - \edef\@@tmpa{c}% - \put(0,0){\set@fusionadd@sixvi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `e'}% - \fi - \else\if\@tmpa E% - \edef\@@tmpa{C}% - \put(0,0){\set@fusionadd@sixvi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `E'}% - \fi - \else\if\@tmpa f% - \edef\@@tmpa{d}% - \put(0,0){\set@fusionadd@sixvi}% - \else\if\@tmpa F% - \edef\@@tmpa{D}% - \put(0,0){\set@fusionadd@sixvi}% - \else\if\@tmpa g% - \edef\@@tmpa{e}% - \put(0,0){\set@fusionadd@sixvi}% - \else\if\@tmpa G% - \edef\@@tmpa{E}% - \put(0,0){\set@fusionadd@sixvi}% - \else\if\@tmpa h% - \edef\@@tmpa{f}% - \put(0,0){\set@fusionadd@sixvi}% - \else\if\@tmpa H% - \edef\@@tmpa{F}% - \put(0,0){\set@fusionadd@sixvi}% - \else\if\@tmpa i% - \edef\@@tmpa{a}% - \put(0,0){\set@fusionadd@sixvi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `i'}% - \fi - \else\if\@tmpa I% - \edef\@@tmpa{A}% - \put(0,0){\set@fusionadd@sixvi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `I'}% - \fi - \else\if\@tmpa j% - \edef\@@tmpa{f}% - \put(342,0){\set@fusionadd@sixvi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `j'}% - \fi - \else\if\@tmpa J% - \edef\@@tmpa{F}% - \put(342,0){\set@fusionadd@sixvi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `J'}% - \fi - \else\if\@tmpa k% - \edef\@@tmpa{e}% - \put(342,0){\set@fusionadd@sixvi}% - \if@smallringsw\else - \XyMTeXWarning{Forbidden Fusion for bond `k'}% - \fi - \else\if\@tmpa K% - \edef\@@tmpa{E}% - \put(342,0){\set@fusionadd@sixvi}% - \if@smallringsw\else - \XyMTeXWarning{Forbidden Fusion for bond `K'}% - \fi - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@decavi -\def\decaheterovb{\@ifnextchar({\@deca@heterovb(@}{\@deca@heterovb(@)}} -\def\@deca@heterovb(#1){\@ifnextchar[{\@deca@@heterovb(#1)[@}% -{\@deca@@heterovb(#1)[@]}} -\def\@deca@@heterovb(#1)[#2]#3#4{\@ifnextchar[% -{\@decaheterovb(#1)[#2]{#3}{#4}[@}% -{\@decaheterovb(#1)[#2]{#3}{#4}[@]}} -\def\@decaheterovb(#1)[#2]#3#4[#5]{% -\iniflag\iniatom% -\test@vertix@decavb{#3}% -\@reset@ylsw% -{\let\eee=\ddd\let\ddd=\ccc -\let\ccc=\bbb\let\bbb=\aaa -\ylhetpositionb{#4}{1}{1}{6}{0}% %substituents on 1 to 4 -}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -\ylhetpositionb{#4}{0}{4}{7}{0}% %substituents on 5 to 6 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{171}\def\@@yli{-303}\fi -\else -{\let\aaa=\ggg \let\bbb=\hhh -\ylhetpositionb{#4}{-6}{0}{3}{0}% %substituents on 7 to 8 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{171}\def\@@yli{-303}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@iclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-8}{9}% %9 %for 4a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{171}\def\@@yli{-303}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@jclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-9}{3}% %10 for 8a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{-406}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(1000,1200)(-550,-240) - \iforigpt \put(-550,-240){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `decaheterovb' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -\begingroup -\resetbdsw% -\@bond@@omit{#5}% -{\let\eee=\ddd\let\ddd=\ccc - \let\ccc=\bbb\let\bbb=\aaa - \let\aaa=\jjj \let\fff=\iii -\set@skel@bond{#1}{j}{a}% bond between 8a and 1 \@jjj -> \skbonda etc -\set@skel@bond{#1}{a}{b}% bond between 1 and 2 \@aaa -> \skbondb etc -\set@skel@bond{#1}{b}{c}% bond between 2 and 3 \@bbb -> \skbondc etc -\set@skel@bond{#1}{c}{d}% bond between 3 and 4 \@ccc -> \skbondd etc -\set@skel@bond{#1}{d}{e}% bond between 4 and 4a \@ddd -> \skbonde etc -\set@skel@bond{#1}{k}{f}% bond between 4a and 8a \@kkk -> \skbondf etc -}% -{\let\aaa=\ggg\let\bbb=\hhh\let\ccc=\jjj\let\ddd=\iii -\put(-171,303){\set@skel@bond{#1}{h}{a}}% - % bond between 7 and 8 \@hhh -> \skbonda etc -\put(-171,303){\set@skel@bond{#1}{i}{b}}% - % bond between 8 and 8a \@iii -> \skbondb etc -\put(-171,303){\set@skel@bond{#1}{e}{d}}% - % bond between 4a and 5 \@eee -> \skbondd etc -\put(-171,303){\set@skel@bond{#1}{f}{e}}% - % bond between 5 and 6 \@fff -> \skbonde etc -\put(-171,303){\set@skel@bond{#1}{g}{f}}% - % bond between 6 and 7 \@ggg -> \skbondf etc -}% -\endgroup -\@tfor\member:=#2\do{% -\if\member r\relax% -{\let\aaa=\ggg\let\bbb=\hhh\let\ccc=\jjj\let\ddd=\iii - \put(-171,303){\bonda}% bond between 7 and 8 - \put(-171,303){\bonde}% bond between 5 and 6 -}% -{\let\eee=\ddd\let\ddd=\ccc - \let\ccc=\bbb\let\bbb=\aaa - \let\aaa=\jjj \let\fff=\iii - \put(0,0){\bondb}% bond between 1 and 2 - \put(0,0){\bondd}% bond between 3 and 4 - \put(0,0){\bondf}% bond between 4a and 4b -}% -\else\if\member l\relax% -\else\if\member a\relax% -{\let\ccc=\bbb\let\bbb=\aaa - \put(0,0){\bondb}% bond between 1 and 2 -}% -\else\if\member b\relax -{\let\ddd=\ccc\let\ccc=\bbb - \put(0,0){\bondc}% bond between 2 and 3 -}% -\else\if\member c\relax -{\let\eee=\ddd\let\ddd=\ccc - \put(0,0){\bondd}% bond between 3 and 4 -}% -\else\if\member d\relax% -{\let\fff=\eee\let\eee=\ddd - \put(0,0){\bonde}% bond between 4 and 4a -}% -\else\if\member e\relax% -{\let\ddd=\iii% - \put(-171,303){\bondd}% bond between 5 and 4a -}% -\else\if\member f\relax% - \put(-171,303){\bonde}% bond between 5 and 6 -\else\if\member g\relax% -{\let\aaa=\ggg - \put(-171,303){\bondf}% bond between 6 and 7 -}% -\else\if\member h\relax% -{\let\aaa=\ggg \let\bbb=\hhh% - \put(-171,303){\bonda}% bond between 8 and 7 -}% -\else\if\member i\relax% -{\let\bbb=\hhh \let\ccc=\jjj% - \put(-171,303){\bondb}% bond between 8 and 8a -}% -\else\if\member j\relax% -{\let\bbb=\aaa\let\aaa=\jjj% - \put(0,0){\bonda}% bond between 1 and 8a -}% -\else\if\member k\relax% -{\let\aaa=\jjj\let\fff=\iii% - \put(0,0){\bondf}% bond between 8a and 4a -}% -\else\if\member K\relax% -{\let\ccc=\jjj\let\ddd=\iii% - \put(-171,303){\bondc}% bond between 8a and 4a in the other ring -}% -\else\if\member A%left aromatic circle - \put(-171,506){\circle{240}} %circle -\else\if\member B%left aromatic circle - \put(0,203){\circle{240}} %circle -\else \expandafter\twoCH@@R\member//% - \def\aax{8a}\def\aay{4a}\def\aaz{10}% - \if\@@tmpa 1\relax% % plus charge etc. - \putratom{60}{253}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{-38}{68}{\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{-120}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putlatom{-209}{431}{\@@tmpb}% % left type - \else\if\@@tmpa 6\relax% - \putlatom{-209}{546}{\@@tmpb}% % left type - \else\if\@@tmpa 7\relax% - \putratom{-209}{585}{\@@tmpb}% % right type - \else\if\@@tmpa 8\relax% - \putratom{-111}{546}{\@@tmpb}% % right type - \else\if\@@tmpa 9\relax% - \putlatom{-60}{253}{\@@tmpb}% % left type - \else\ifx\@@tmpa\aaz\relax% - \putratom{-38}{282}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aax\relax% - \putratom{-38}{282}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aay\relax% - \putratom{-209}{371}{\@@tmpb}% % right type - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \expandafter\twoCH@R\member//% - \set@fusion@decavb -\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -\fi\fi\fi\fi\fi\fi% -}% -\iniflag\iniatom -\put(-171,303){\set@hetatom@sixv{#3}{0}{4}{7}{0}% -\if@eclip \global\@ecliptrue\fi% -\if@fclip \global\@fcliptrue\fi% -}% %substituents on 5 to 6 -\put(-171,303){\set@hetatom@sixv{#3}{-6}{0}{3}{0}% - \@gclipfalse \if@aclip \global\@gcliptrue \fi% - \@hclipfalse \if@bclip \global\@hcliptrue \fi% -}% %substituents on 7 to 8 -\put(0,0){\set@vrtx@decafusevb{#3}% - \if@iclip \global\@icliptrue \fi - \if@jclip \global\@jcliptrue \fi -}%9 %for 4a position, %10 for 8a position -\put(0,0){\iniflag%2000/11/11 by S. Fujita -\set@hetatom@sixv{#3}{1}{1}{6}{0}% -\@aclipfalse \if@bclip \global\@acliptrue \fi% -\@bclipfalse \if@cclip \global\@bcliptrue \fi% -\@cclipfalse \if@clip \global\@ccliptrue \fi% -\@clipfalse \if@eclip \global\@cliptrue \fi% -}% %substituents on 1 to 4 -{% -\@eclipfalse \if@clip \@ecliptrue \fi% -\@clipfalse \if@cclip \@cliptrue \fi% -\@cclipfalse \if@bclip \@ccliptrue \fi% -\@bclipfalse \if@aclip \@bcliptrue \fi% -\put(0,0){\setsixringv{#4}{1}{1}{6}{0}}% %substituents on 1 to 4 -}% -{% -\put(-171,303){\setsixringv{#4}{0}{4}{7}{0}}% %substituents on 5 to 6 -}% -{% - \@aclipfalse \if@gclip \@acliptrue \fi% - \@bclipfalse \if@hclip \@bcliptrue \fi% -\put(-171,303){\setsixringv{#4}{-6}{0}{3}{0}}% %substituents on 7 to 8 -}% -{\@clipfusefalse \if@iclip \@clipfusetrue \fi% - \put(-171,303){\setatombond{#4}{-8}{9}}% %9 %for 4a position -}% -{\@clipfusefalse \if@jclip \@clipfusetrue \fi% - \put(0,406){\setatombond{#4}{-9}{3}}% %10 for 8a position -}% -\end{picture}\iniatom\iniflag}% %end of \decaheterovb macro -\def\ylhetpositionb#1#2#3#4#5{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}\relax% -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifnum#5<0\relax% -\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax% -\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax\fi -\ifnum\@tmpaa>#3\relax% -\ifnum\@tmpaa<#4\relax% -\ifcase\@tmpaa%0 omit - \or - \ifx\aaa\empty% - \ifx\ggg\empty% aaa and ggg are absent - \gdef\@ylii{0}\gdef\@yli{-406}\global\@ylswtrue%\@ylatrue% subst. on 1 - \else% ggg is present - \gdef\@ylii{0}\gdef\@yli{-442}\global\@ylswtrue%\@ylatrue% subst. on 1 - \fi - \else%aaa is present - \gdef\@ylii{0}\gdef\@yli{-442}\global\@ylswtrue%\@ylatrue% subst. on 1 - \fi - \or - \ifx\bbb\empty - \ifx\hhh\empty% aaa and hhh are absent - \gdef\@ylii{-171}\gdef\@yli{-303}\global\@ylswtrue%\@ylbtrue% subst. on 2 - \else%hhh is present - \gdef\@ylii{-213}\gdef\@yli{-327}\global\@ylswtrue%\@ylbtrue% subst. on 2 - \fi - \else - \gdef\@ylii{-213}\gdef\@yli{-327}\global\@ylswtrue%\@ylbtrue% subst. on 2 - \fi - \or\ifx\ccc\empty - \gdef\@ylii{-171}\gdef\@yli{-103}\global\@ylswtrue%\@ylctrue% subst. on 3 - \else - \gdef\@ylii{-213}\gdef\@yli{-79}\global\@ylswtrue%\@ylctrue% subst. on 3 - \fi - \or - \ifx\ddd\empty - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%\@yldtrue% subst. on 4 - \else% ddd present - \gdef\@ylii{0}\gdef\@yli{36}\global\@ylswtrue%\@yldtrue% subst. on 4 - \fi - \or - \ifx\eee\empty - \gdef\@ylii{173}\gdef\@yli{-103}\global\@ylswtrue%\@yletrue% subst. on 5 - \else% eee is present - \gdef\@ylii{223}\gdef\@yli{-79}\global\@ylswtrue%\@yletrue% subst. on 5 - \fi - \or - \ifx\fff\empty - \gdef\@ylii{173}\gdef\@yli{-303}\global\@ylswtrue%\@ylftrue% subst. on 6 - \else%fff is present - \gdef\@ylii{213}\gdef\@yli{-327}\global\@ylswtrue%\@ylftrue% subst. on 6 - \fi -\fi%end of ifcase -\fi\fi\fi\fi\fi}}% -\def\test@vertix@decavb#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa% - \or% \xdef\aaa{\@memberb}%1 - \if\@tmpb s\relax\def\aaa{}\else\def\aaa{@}\fi - \or% \xdef\bbb{\@memberb}%2 - \if\@tmpb s\relax\def\bbb{}\else\def\bbb{@}\fi - \or% \xdef\ccc{\@memberb}%3 - \if\@tmpb s\relax\def\ccc{}\else\def\ccc{@}\fi - \or% - \if\@tmpb a% - \def\iii{@}%4a - \else\if\@tmpb s% - \def\ddd{}%4 - \else\if\@tmpb h% - \def\ddd{@}%4 - \else\ifx\@tmpb\empty% - \def\ddd{@}%4 - \fi\fi\fi\fi% - \or% \xdef\eee{\@memberb}%5 - \if\@tmpb s\relax\def\eee{}\else\def\eee{@}\fi - \or% \xdef\fff{\@memberb}%6 - \if\@tmpb s\relax\def\fff{}\else\def\fff{@}\fi - \or% \xdef\ggg{\@memberb}%7 - \if\@tmpb s\relax\def\ggg{}\else\def\ggg{@}\fi - \or% - \if\@tmpb a% - \def\jjj{@}%8a - \else\if\@tmpb s% - \def\hhh{}%8 - \else\if\@tmpb h% - \def\hhh{@}%4 - \else\ifx\@tmpb\empty% - \def\hhh{@}%4 - \fi\fi\fi\fi% -\or% \xdef\iii{\@memberb}%9 (= 4a) - \if\@tmpb s\relax\def\iii{}\else\def\iii{@}\fi -\or% \xdef\jjj{\@memberb}%10 (= 8a) - \if\@tmpb s\relax\def\jjj{}\else\def\jjj{@}\fi -\fi\fi}% -}% end of the macro \test@vertix@decavb -\def\set@vrtx@decafusevb#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa\or\or\or - \or%%%%4 - \if\@tmpb a% - \global\@icliptrue% - \putlatom{-135}{280}{\@memberb}% % left type - \else\relax - \fi - \or\or\or - \or%8 - \if\@tmpb a% - \global\@jcliptrue% - \putratom{-31}{356}{\@memberb}% % right type - \else\relax - \fi -\or%9 (= 4a) - \global\@icliptrue% - \putlatom{-135}{280}{\@memberb}% % left type -\or%10 (= 8a) - \global\@jcliptrue% - \putratom{-31}{356}{\@memberb}% % right type -\fi\fi}% -}% end of the macro \set@vrtx@decafusevb -\def\decaheterovt{\@ifnextchar({\@deca@heterovt(@}{\@deca@heterovt(@)}} -\def\@deca@heterovt(#1){\@ifnextchar[{\@deca@@heterovt(#1)[@}% -{\@deca@@heterovt(#1)[@]}} -\def\@deca@@heterovt(#1)[#2]#3#4{\@ifnextchar[% -{\@decaheterovt(#1)[#2]{#3}{#4}[@}% -{\@decaheterovt(#1)[#2]{#3}{#4}[@]}} -\def\@decaheterovt(#1)[#2]#3#4[#5]{% -\iniflag\iniatom% -\test@vertix@decavb{#3}% -\@reset@ylsw% -{\let\fff=\aaa -\ylhetpositiont{#4}{5}{5}{7}{0}% %substituent on 1 -}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-171}\def\@@yli{-303}\fi -\else -{\let\aaa=\bbb\let\bbb=\ccc\let\ccc=\ddd -\ylhetpositiont{#4}{-1}{0}{4}{0}% %substituents on 2 to 4 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-171}\def\@@yli{-303}\fi -\else -{\let\ccc=\eee\let\ddd=\fff -\let\eee=\ggg\let\fff=\hhh -\ylhetpositiont{#4}{-2}{2}{7}{0}% %substituents on 5 to 8 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@iclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-8}{5}% %9 %for 4a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-171}\def\@@yli{-303}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@jclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-9}{11}% %10 for 8a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{-406}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(1200,880)(-\shiftii,-\shifti)% - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `decaheterovt' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -\begingroup -\resetbdsw% -\@bond@@omit{#5}% -{% - \let\fff=\aaa \let\aaa=\bbb \let\bbb=\ccc - \let\ccc=\ddd \let\ddd=\iii \let\eee=\jjj -\put(171,303){\set@skel@bond{#1}{b}{a}}% - % bond between 2 and 3 \@bbb -> \skbonda etc -\put(171,303){\set@skel@bond{#1}{c}{b}}% - % bond between 3 and 4 \@ccc -> \skbondb etc -\put(171,303){\set@skel@bond{#1}{d}{c}}% - % bond between 4 and 4a \@ddd -> \skbondc etc -\put(171,303){\set@skel@bond{#1}{k}{d}}% - % bond between 4a and 8a \@kkk -> \skbondd etc -\put(171,303){\set@skel@bond{#1}{j}{e}}% - % bond between 8a and 1 \@jjj -> \skbonde etc -\put(171,303){\set@skel@bond{#1}{a}{f}}% - % bond between 1 and 2 \@aaa -> \skbondf etc -}% -{% - \let\aaa=\jjj\let\bbb=\iii - \let\ccc=\eee\let\ddd=\fff - \let\eee=\ggg\let\fff=\hhh -\set@skel@bond{#1}{e}{b}% bond between 4a and 5 \@eee -> \skbondb etc -\set@skel@bond{#1}{f}{c}% bond between 5 and 6 \@fff -> \skbondc etc -\set@skel@bond{#1}{g}{d}% bond between 6 and 7 \@ggg -> \skbondd etc -\set@skel@bond{#1}{h}{e}% bond between 7 and 8 \@hhh -> \skbonde etc -\set@skel@bond{#1}{i}{f}% bond between 8 and 8a \@iii -> \skbondf etc -}% -\endgroup -\@tfor\member:=#2\do{% -\if\member r\relax% -{% - \let\ccc=\eee\let\ddd=\fff\let\eee=\ggg\let\fff=\ggg - \put(0,0){\bondc}% bond between 7 and 8 - \put(0,0){\bonde}% bond between 5 and 6 -}% -{% - \let\fff=\aaa\let\aaa=\bbb - \let\bbb=\ccc\let\ccc=\ddd - \let\ddd=\iii\let\eee=\jjj - \put(171,303){\bondf}% bond between 1 and 2 - \put(171,303){\bondb}% bond between 3 and 4 - \put(171,303){\bondd}% bond between 4a and 8a -}% -\else\if\member l\relax% -\else\if\member a\relax% -{\let\fff=\aaa\let\aaa=\bbb - \put(171,303){\bondf}% bond between 1 and 2 -}% -\else\if\member b\relax -{\let\aaa=\bbb\let\bbb=\ccc - \put(171,303){\bonda}% bond between 2 and 3 -}% -\else\if\member c\relax -{\let\bbb=\ccc\let\ccc=\ddd - \put(171,303){\bondb}% bond between 3 and 4 -}% -\else\if\member d\relax% -{\let\ccc=\ddd\let\ddd=\eee - \put(171,303){\bondc}% bond between 4 and 4a -}% -\else\if\member e\relax% -{\let\ccc=\eee\let\bbb=\iii% - \put(0,0){\bondb}% bond between 5 and 4a -}% -\else\if\member f\relax% -{\let\ccc=\eee\let\ddd=\fff - \put(0,0){\bondc}% bond between 5 and 6 -}% -\else\if\member g\relax% -{\let\ddd=\fff\let\eee=\ggg - \put(0,0){\bondd}% bond between 6 and 7 -}% -\else\if\member h\relax% -{\let\eee=\ggg \let\fff=\hhh% - \put(0,0){\bonde}% bond between 8 and 7 -}% -\else\if\member i\relax% -{\let\aaa=\jjj \let\fff=\hhh% - \put(0,0){\bondf}% bond between 8 and 8a -}% -\else\if\member j\relax% -{\let\fff=\aaa\let\eee=\jjj% - \put(171,303){\bonde}% bond between 1 and 8a -}% -\else\if\member k\relax% -{\let\aaa=\jjj\let\bbb=\iii% - \put(0,0){\bonda}% bond between 8a and 4a -}% -\else\if\member K\relax% -{\let\eee=\jjj\let\ddd=\iii% - \put(171,303){\bondd}% bond between 8a and 4a in the other ring -}% -\else\if\member A%left aromatic circle - \put(171,506){\circle{240}} %circle -\else\if\member B%left aromatic circle - \put(0,203){\circle{240}} %circle -\else - \expandafter\twoCH@@R\member//% - \def\aax{8a}\def\aay{4a}\def\aaz{10}% - \if\@@tmpa 1\relax% % plus charge etc. - \putlatom{111}{546}{\@@tmpb}% % left type - \else\if\@@tmpa 2\relax% - \putlatom{209}{585}{\@@tmpb}% % left type - \else\if\@@tmpa 3\relax% - \putratom{209}{546}{\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{209}{431}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putratom{-38}{68}{\@@tmpb}% % right type - \else\if\@@tmpa 7\relax% - \putratom{-120}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 8\relax% - \putlatom{-60}{253}{\@@tmpb}% % left type - \else\if\@@tmpa 9\relax% - \putratom{60}{253}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aaz\relax% - \putratom{-38}{282}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aax\relax% - \putratom{-38}{282}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aay\relax% - \putratom{60}{253}{\@@tmpb}% % right type - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \expandafter\twoCH@R\member//% - \set@fusion@decavt -\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -\fi\fi\fi\fi\fi\fi% -}% -\iniflag -\put(0,0){\set@hetatom@sixv{#3}{-2}{2}{7}{0}% - \@hclipfalse \if@fclip \global\@hcliptrue \fi% - \@gclipfalse \if@eclip \global\@gcliptrue \fi% - \@fclipfalse \if@clip \global\@fcliptrue \fi% - \@eclipfalse \if@cclip \global\@ecliptrue \fi% -}% %substituents on 5 to 8 -\put(0,0){\set@vrtx@decafusevt{#3}% - \if@iclip \global\@icliptrue \fi - \if@jclip \global\@jcliptrue \fi -}%9 %for 4a position, %10 for 8a position -\put(171,303){\set@hetatom@sixv{#3}{-1}{0}{4}{0}% -\@clipfalse \if@cclip \global\@cliptrue \fi% -\@cclipfalse \if@bclip \global\@ccliptrue \fi% -\@bclipfalse \if@aclip \global\@bcliptrue \fi% -}% %substituents on 2 to 4 -{% -\@fclipfalse%locally cancelled 1999/2/15 by Shinsaku Fujita -\put(171,303){\set@hetatom@sixv{#3}{5}{5}{7}{0}% -\@aclipfalse \if@fclip \global\@acliptrue \fi% -}% %substituent on 1 -}% -{% -\@fclipfalse \if@aclip \@fcliptrue \fi% -\put(171,303){\setsixringv{#4}{5}{5}{7}{0}}% %substituent on 1 -}% -{% -\@aclipfalse \if@bclip \@acliptrue \fi% -\@bclipfalse \if@cclip \@bcliptrue \fi% -\@cclipfalse \if@clip \@ccliptrue \fi% -\put(171,303){\setsixringv{#4}{-1}{0}{4}{0}}% %substituents on 2 to 4 -}% -{% - \@cclipfalse \if@eclip \@ccliptrue \fi% - \@clipfalse \if@fclip \@cliptrue \fi% - \@eclipfalse \if@gclip \@ecliptrue \fi% - \@fclipfalse \if@hclip \@fcliptrue \fi% -\put(0,0){\setsixringv{#4}{-2}{2}{7}{0}}% %substituents on 5 to 8 -}% -{\@clipfusefalse \if@iclip \@clipfusetrue \fi% - \put(171,303){\setatombond{#4}{-8}{5}}% %9 %for 4a position -}% -{\@clipfusefalse \if@jclip \@clipfusetrue \fi% - \put(0,406){\setatombond{#4}{-9}{11}}% %10 for 8a position -}% -\end{picture}\iniatom\iniflag}% %end of \decaheterovt macro -\def\ylhetpositiont#1#2#3#4#5{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}\relax% -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifnum#5<0\relax% -\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax% -\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax\fi -\ifnum\@tmpaa>#3\relax% -\ifnum\@tmpaa<#4\relax% -\ifcase\@tmpaa%0 omit - \or - \ifx\aaa\empty% - \ifx\bbb\empty% aaa and bbb are absent - \gdef\@ylii{0}\gdef\@yli{-406}\global\@ylswtrue%\@ylatrue% subst. on 1 - \else% bbb is present - \gdef\@ylii{0}\gdef\@yli{-442}\global\@ylswtrue%\@ylatrue% subst. on 1 - \fi - \else%aaa is present - \gdef\@ylii{0}\gdef\@yli{-442}\global\@ylswtrue%\@ylatrue% subst. on 1 - \fi - \or - \ifx\bbb\empty - \ifx\ccc\empty% aaa and ccc are absent - \gdef\@ylii{-171}\gdef\@yli{-303}\global\@ylswtrue%\@ylbtrue% subst. on 2 - \else%ccc is present - \gdef\@ylii{-213}\gdef\@yli{-327}\global\@ylswtrue%\@ylbtrue% subst. on 2 - \fi - \else - \gdef\@ylii{-213}\gdef\@yli{-327}\global\@ylswtrue%\@ylbtrue% subst. on 2 - \fi - \or - \ifx\ccc\empty - \ifx\ddd\empty - \ifx\eee\empty% ccc, ddd, eee are absent - \gdef\@ylii{-171}\gdef\@yli{-103}\global\@ylswtrue%\@ylctrue%subst. on 3 - \else%eee is present - \gdef\@ylii{-213}\gdef\@yli{-79}\global\@ylswtrue%\@ylctrue% subst. on 3 - \fi - \else%ddd is present - \gdef\@ylii{-213}\gdef\@yli{-79}\global\@ylswtrue%\@ylctrue% subst. on 3 - \fi - \else%ccc is present - \gdef\@ylii{-213}\gdef\@yli{-79}\global\@ylswtrue%\@ylctrue% subst. on 3 - \fi - \or - \ifx\ddd\empty - \ifx\fff\empty%ddd and fff are absent - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%\@yldtrue% subst. on 4 - \else%fff present - \gdef\@ylii{0}\gdef\@yli{36}\global\@ylswtrue%\@yldtrue% subst. on 4 - \fi - \else% ddd present - \gdef\@ylii{0}\gdef\@yli{36}\global\@ylswtrue%\@yldtrue% subst. on 4 - \fi - \or - \ifx\eee\empty - \ifx\ggg\empty%eee and ggg are absent - \gdef\@ylii{173}\gdef\@yli{-103}\global\@ylswtrue%\@yletrue% subst. on 5 - \else% ggg is present - \gdef\@ylii{223}\gdef\@yli{-79}\global\@ylswtrue%\@yletrue% subst. on 5 - \fi - \else% eee is present - \gdef\@ylii{223}\gdef\@yli{-79}\global\@ylswtrue%\@yletrue% subst. on 5 - \fi - \or - \ifx\fff\empty - \ifx\hhh\empty%fff and hhh are absent - \gdef\@ylii{173}\gdef\@yli{-303}\global\@ylswtrue%\@ylftrue% subst. on 6 - \else%hhh is present - \gdef\@ylii{213}\gdef\@yli{-327}\global\@ylswtrue%\@ylftrue% subst. on 6 - \fi - \else%fff is present - \gdef\@ylii{213}\gdef\@yli{-327}\global\@ylswtrue%\@ylftrue% subst. on 6 - \fi -\fi%end of ifcase -\fi\fi\fi\fi\fi}}% -\def\set@vrtx@decafusevt#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa\or\or\or - \or%%%%4 - \if\@tmpb a% - \global\@icliptrue% - \putratom{135}{280}{\@memberb}% % right type - \else\relax - \fi - \or\or\or - \or%8 - \if\@tmpb a% - \global\@jcliptrue% - \putlatom{31}{356}{\@memberb}% % left type - \else\relax - \fi -\or%9 (= 4a) - \global\@icliptrue% - \putratom{135}{280}{\@memberb}% % right type -\or%10 (= 8a) - \global\@jcliptrue% - \putlatom{31}{356}{\@memberb}% % left type -\fi\fi}% -}% end of the macro \set@vrtx@decafusevt -\def\quinolinev{% - \@ifnextchar[{\@quinolinev[@}{\@quinolinev[acfhk]}} -\def\@quinolinev[#1]#2{% -\iforigpt \typeout{command `quinolinev' % - is based on `decaheterov'.}\fi% -\decaheterov[#1]{1==N}{#2}} -\def\quinolinevi{% - \@ifnextchar[{\@quinolinevi[@}{\@quinolinevi[acfhk]}} -\def\@quinolinevi[#1]#2{% -\iforigpt \typeout{command `quinolinevi' % - is based on `decaheterovi'.}\fi% -\decaheterovi[#1]{1==N}{#2}} -\def\quinolinevb{% - \@ifnextchar[{\@quinolinevb[@}{\@quinolinevb[acfhk]}} -\def\@quinolinevb[#1]#2{% -\iforigpt \typeout{command `quinolinevb' % - is based on `decaheterovb'.}\fi% -\decaheterovb[#1]{1==N}{#2}} -\def\quinolinevt{% - \@ifnextchar[{\@quinolinevt[@}{\@quinolinevt[acfhk]}} -\def\@quinolinevt[#1]#2{% -\iforigpt \typeout{command `quinolinevt' % - is based on `decaheterovt'.}\fi% -\decaheterovt[#1]{1==N}{#2}} -\def\isoquinolinev{% - \@ifnextchar[{\@isoquinolinev[@}{\@isoquinolinev[acfhk]}} -\def\@isoquinolinev[#1]#2{% -\iforigpt \typeout{command `isoquinolinev' % - is based on `decaheterov'.}\fi% -\decaheterov[#1]{2==N}{#2}} -\def\isoquinolinevi{% - \@ifnextchar[{\@isoquinolinevi[@}{\@isoquinolinevi[acfhk]}} -\def\@isoquinolinevi[#1]#2{% -\iforigpt \typeout{command `isoquinolinevi' % - is based on `decaheterovi'.}\fi% -\decaheterovi[#1]{2==N}{#2}}% -\def\isoquinolinevb{% - \@ifnextchar[{\@isoquinolinevb[@}{\@isoquinolinevb[acfhk]}} -\def\@isoquinolinevb[#1]#2{% -\iforigpt \typeout{command `isoquinolinevb' % - is based on `decaheterovi'.}\fi% -\decaheterovb[#1]{2==N}{#2}}% -\def\isoquinolinevt{% - \@ifnextchar[{\@isoquinolinevt[@}{\@isoquinolinevt[acfhk]}} -\def\@isoquinolinevt[#1]#2{% -\iforigpt \typeout{command `isoquinolinevt' % - is based on `decaheterovt'.}\fi% -\decaheterovt[#1]{2==N}{#2}}% -\def\quinoxalinev{% - \@ifnextchar[{\@quinoxalinev[@}{\@quinoxalinev[acfhk]}} -\def\@quinoxalinev[#1]#2{% -\iforigpt \typeout{command `quinoxalinev' % - is based on `decaheterov'.}\fi% -\decaheterov[#1]{1==N;4==N}{#2}} -\def\quinoxalinevi{% - \@ifnextchar[{\@quinoxalinevi[@}{\@quinoxalinevi[acfhk]}} -\def\@quinoxalinev[#1]#2{% -\iforigpt \typeout{command `quinoxalinevi' % - is based on `decaheterovi'.}\fi% -\decaheterovi[#1]{1==N;4==N}{#2}} -\def\quinoxalinevb{% - \@ifnextchar[{\@quinoxalinevb[@}{\@quinoxalinevb[acfhk]}} -\def\@quinoxalinevb[#1]#2{% -\iforigpt \typeout{command `quinoxalinevb' % - is based on `decaheterovb'.}\fi% -\decaheterovb[#1]{1==N;4==N}{#2}} -\def\quinoxalinevt{% - \@ifnextchar[{\@quinoxalinevt[@}{\@quinoxalinevt[acfhk]}} -\def\@quinoxalinevt[#1]#2{% -\iforigpt \typeout{command `quinoxalinevt' % - is based on `decaheterovt'.}\fi% -\decaheterovt[#1]{1==N;4==N}{#2}} -\def\quinazolinev{% - \@ifnextchar[{\@quinazolinev[@}{\@quinazolinev[acfhk]}} -\def\@quinazolinev[#1]#2{% -\iforigpt \typeout{command `quinazolinev' % - is based on `decaheterov'.}\fi% -\decaheterov[#1]{1==N;3==N}{#2}} -\def\quinazolinevi{% - \@ifnextchar[{\@quinazolinevi[@}{\@quinazolinevi[acfhk]}} -\def\@quinazolinevi[#1]#2{% -\iforigpt \typeout{command `quinazolinevi' % - is based on `decaheterovi'.}\fi% -\decaheterovi[#1]{1==N;3==N}{#2}} -\def\quinazolinevb{% - \@ifnextchar[{\@quinazolinevb[@}{\@quinazolinevb[acfhk]}} -\def\@quinazolinevb[#1]#2{% -\iforigpt \typeout{command `quinazolinevb' % - is based on `decaheterovb'.}\fi% -\decaheterovb[#1]{1==N;3==N}{#2}} -\def\quinazolinevt{% - \@ifnextchar[{\@quinazolinevt[@}{\@quinazolinevt[acfhk]}} -\def\@quinazolinevt[#1]#2{% -\iforigpt \typeout{command `quinazolinevt' % - is based on `decaheterovt'.}\fi% -\decaheterovt[#1]{1==N;3==N}{#2}} -\def\cinnolinev{% - \@ifnextchar[{\@cinnolinev[@}{\@cinnolinev[acfhk]}} -\def\@cinnolinev[#1]#2{% -\iforigpt \typeout{command `cinnolinev' % - is based on `decaheterov'.}\fi% -\decaheterov[#1]{1==N;2==N}{#2}} -\def\cinnolinevi{% - \@ifnextchar[{\@cinnolinevi[@}{\@cinnolinevi[acfhk]}} -\def\@cinnolinevi[#1]#2{% -\iforigpt \typeout{command `cinnolinevi' % - is based on `decaheterovi'.}\fi% -\decaheterovi[#1]{1==N;2==N}{#2}} -\def\cinnolinevb{% - \@ifnextchar[{\@cinnolinevb[@}{\@cinnolinevb[acfhk]}} -\def\@cinnolinevb[#1]#2{% -\iforigpt \typeout{command `cinnolinevb' % - is based on `decaheterovb'.}\fi% -\decaheterovb[#1]{1==N;2==N}{#2}} -\def\cinnolinevt{% - \@ifnextchar[{\@cinnolinevt[@}{\@cinnolinevt[acfhk]}} -\def\@cinnolinevt[#1]#2{% -\iforigpt \typeout{command `cinnolinevt' % - is based on `decaheterovt'.}\fi% -\decaheterovt[#1]{1==N;2==N}{#2}} -\def\pteridinev{\@ifnextchar[{\@pteridinev[@}{\@pteridinev[acfhk]}} -\def\@pteridinev[#1]#2{% -\iforigpt \typeout{command `pteridinev' % - is based on `decaheterov'.}\fi% -\decaheterov[#1]{1==N;3==N;5==N;8==N}{#2}} -\def\pteridinevi{\@ifnextchar[{\@pteridinevi[@}{\@pteridinevi[acfhk]}} -\def\@pteridinevi[#1]#2{% -\iforigpt \typeout{command `pteridinevi' % - is based on `decaheterovi'.}\fi% -\decaheterovi[#1]{1==N;3==N;5==N;8==N}{#2}} -\def\pteridinevb{\@ifnextchar[{\@pteridinevb[@}{\@pteridinevb[acfhk]}} -\def\@pteridinevb[#1]#2{% -\iforigpt \typeout{command `pteridinevb' % - is based on `decaheterovb'.}\fi% -\decaheterovb[#1]{1==N;3==N;5==N;8==N}{#2}} -\def\pteridinevt{\@ifnextchar[{\@pteridinevt[@}{\@pteridinevt[acfhk]}} -\def\@pteridinevt[#1]#2{% -\iforigpt \typeout{command `pteridinevt' % - is based on `decaheterovt'.}\fi% -\decaheterovt[#1]{1==N;3==N;5==N;8==N}{#2}} -\def\nonaheterov{\@ifnextchar({\@nona@heterov(@}{\@nona@heterov(@)}} -\def\@nona@heterov(#1){\@ifnextchar[{\@nona@@heterov(#1)[@}% -{\@nona@@heterov(#1)[@]}} -\def\@nona@@heterov(#1)[#2]#3#4{\@ifnextchar[% -{\@nonaheterov(#1)[#2]{#3}{#4}[@}% -{\@nonaheterov(#1)[#2]{#3}{#4}[@]}} -\def\@nonaheterov(#1)[#2]#3#4[#5]{% -\iniflag\iniatom% -\test@vertix@nonav{#3}% -\@reset@ylsw% -\ylposition{#4}{5}{1}{5}{-1}% %substituents on 1 to 3 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi -\else -{\let\ddd=\eee\let\eee=\fff\let\fff=\ggg -\ylposition{#4}{11}{3}{7}{-1}% %substituents on 5 to 7 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\let\aaa=\hhh -\ylposition{#4}{-3}{0}{2}{0}%%substituent on 4 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@iclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-8}{7}% %9 %for 7a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-171}\def\@@yli{-103}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@jclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-7}{1}% %8 for 3a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-171}\def\@@yli{-303}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(1200,880)(-\shiftii,-\shifti)% - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `nonaheterov' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -\begingroup -\resetbdsw% -\@bond@@omit{#5}% -{\let\fff=\jjj \let\eee=\iii% -\put(342,0){\set@skel@bond{#1}{a}{c}}% - % bond between 1 and 2 \@aaa -> \skbondc etc -\put(342,0){\set@skel@bond{#1}{b}{b}}% - % bond between 2 and 3 \@bbb -> \skbondb etc -\put(342,0){\set@skel@longbond{#1}{c}{skbondhoriz}}% - % bond between 3 and 3a \@ccc -> \skbondhoriz etc -\put(342,0){\set@skel@bond{#1}{j}{e}}% - % bond between 3a and 7a \@jjj -> \skbonde etc -\put(342,0){\set@skel@bond{#1}{i}{d}}% - % bond between 7a and 1 \@iii -> \skbondd etc -}% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% -\set@skel@bond{#1}{d}{a}% bond between 3a and 4 \@ddd -> \skbonda etc -\set@skel@bond{#1}{h}{c}% bond between 7 and 7a \@hhh -> \skbondc etc -\set@skel@bond{#1}{g}{d}% bond between 6 and 7 \@ggg -> \skbondd etc -\set@skel@bond{#1}{f}{e}% bond between 5 and 6 \@fff -> \skbonde etc -\set@skel@bond{#1}{e}{f}% bond between 4 and 5 \@eee -> \skbondf etc -}% -\endgroup -\@tfor\member:=#2\do{% -\if\member r\relax% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% - \put(0,0){\bondb}% bond between 3a and 7a - \put(0,0){\bondf}% bond between 4 and 5 - \put(0,0){\bondd}% bond between 6 and 7 -}% -\else\if\member l\relax% -\else\if\member a\relax% - \put(342,0){\bondc}% bond between 3 and 4 -\else\if\member b\relax% - \put(342,0){\bondb}% bond between 2 and 3 -\else\if\member c\relax% - \put(342,0){\bondhoriz}% bond between 3 and 3a -\else\if\member d\relax% -{\let\aaa=\hhh \let\bbb=\jjj% - \put(0,0){\bonda}% bond between 4 and 3a -} -\else\if\member e\relax% -{\let\aaa=\hhh \let\fff=\ggg% - \put(0,0){\bondf}% bond between 4 and 5 -}% -\else\if\member f\relax% -{\let\eee=\fff \let\fff=\ggg% - \put(0,0){\bonde}% bond between 5 and 6 -}% -\else\if\member g\relax% -{\let\ddd=\eee \let\eee=\fff% - \put(0,0){\bondd}% bond between 6 and 7 -}% -\else\if\member h\relax% -{\let\ccc=\iii \let\ddd=\eee% - \put(0,0){\bondc}% bond between 7 and 7a -}% -\else\if\member i\relax% -{\let\eee=\iii% - \put(342,0){\bondd}% bond between 1 and 7a -}% -\else\if\member j\relax% -{\let\ccc=\iii\let\bbb=\jjj% - \put(0,0){\bondb}% bond between 7a and 3a -}% -\else\if\member J\relax% -{\let\eee=\iii\let\fff=\jjj% - \put(342,0){\bonde}% bond between 7a and 3a -}% -\else\if\member A%left aromatic circle - \put(0,203){\circle{240}} %circle -\else\if\member B%left aromatic circle - \put(342,173){\circle{180}} %circle 1993/11/20 S.Fujita -\else - \expandafter\twoCH@@R\member//% - \def\aax{7a} \def\aay{3a}% - \if\@@tmpa 1\relax% - \putratom{304}{68}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{402}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{402}{253}{\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{-38}{282}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putlatom{-60}{120}{\@@tmpb}% % left type - \else\if\@@tmpa 6\relax% - \putlatom{-60}{253}{\@@tmpb}% % left type - \else\if\@@tmpa 7\relax% - \putratom{-38}{68}{\@@tmpb}% % right type - \else\if\@@tmpa 8\relax% - \putratom{60}{253}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aax\relax% - \putratom{60}{253}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aay\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 9\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \expandafter\twoCH@R\member//% - \set@fusion@nonav -\fi\fi\fi\fi\fi\fi\fi\fi\fi% -\fi\fi\fi\fi\fi\fi% -}% -\iniflag\iniatom% -\@tmpclipfalse -\put(0,0){\set@hetatom@sixv{#3}{11}{3}{7}{-1}% - \@gclipfalse \if@fclip \global\@gcliptrue \fi% - \@fclipfalse \if@eclip \global\@fcliptrue \fi% - \@eclipfalse \if@clip \global\@ecliptrue \fi% -}%substituents on 5 to 7 -\put(342,0){\set@hetatom@sixv{#3}{5}{1}{5}{-1}% - \if@bclip \global\@bcliptrue\fi - \if@cclip \global\@ccliptrue\fi - \if@clip \global\@cliptrue\fi -}% %substituents on 1 to 3 -\put(0,0){\set@hetatom@sixv{#3}{-3}{0}{2}{0}% - \@aclipfalse \if@aclip \global\@hcliptrue \fi% -}%%substituent on 4 -\put(0,0){\set@vrtx@nonafusev{#3}% - \@tmpclipfalse - \if@iclip \global\@tmpcliptrue \fi - \if@jclip \global\@icliptrue \fi - \if@tmpclip \global\@jcliptrue \fi -}% fused positions -\put(342,0){\setsixringv{#4}{5}{1}{5}{-1}}% %substituents on 1 to 3 -{\@clipfalse \if@eclip \@cliptrue \fi% %substituents on 5 to 7 - \@eclipfalse \if@fclip \@ecliptrue \fi% - \@fclipfalse \if@gclip \@fcliptrue \fi% -\put(0,0){\setsixringv{#4}{11}{3}{7}{-1}}% -}% -{\@aclipfalse \if@hclip \@acliptrue \fi% %substituent on 4 -\put(0,0){\setsixringv{#4}{-3}{0}{2}{0}}% -}% -{\@clipfusefalse \if@iclip \@clipfusetrue \fi% - \put(171,103){\setatombond{#4}{-8}{7}}% %9 for 7a position -}% -{\@clipfusefalse \if@jclip \@clipfusetrue \fi% - \put(171,303){\setatombond{#4}{-7}{1}}% %8 for 3a position -}% -\end{picture}\iniatom\iniflag}% %end of \nonaheterov macro -\def\test@vertix@nonav#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa% - \or% - \if\@tmpb s\relax\def\ddd{}\else\def\ddd{@}\fi - \or%2 - \if\@tmpb s\relax\def\ccc{}\else\def\ccc{@}\fi - \or%3% - \if\@tmpb a% - \def\jjj{@}%3a - \else\if\@tmpb s% - \def\bbb{}%3 - \else\if\@tmpb h% - \def\bbb{@}%3 - \else\ifx\@tmpb\empty% - \def\bbb{@}%3 - \fi\fi\fi\fi% - \or%4 - \if\@tmpb s\relax\def\hhh{}\else\def\hhh{@}\fi - \or%5 - \if\@tmpb s\relax\def\ggg{}\else\def\ggg{@}\fi - \or%6 - \if\@tmpb s\relax\def\fff{}\else\def\fff{@}\fi - \or%7 - \if\@tmpb a% - \xdef\iii{@}%7a - \else\if\@tmpb s% - \xdef\eee{}%7s - \else\if\@tmpb h% - \xdef\eee{@}%7h - \else\ifx\@tmpb\empty% - \xdef\eee{@}%7 - \fi\fi\fi\fi% -\or%8 (= 3a) - \if\@tmpb s\relax\def\jjj{}\else\def\jjj{@}\fi -\or%9 (= 7a) - \if\@tmpb s\relax\def\iii{}\else\def\iii{@}\fi -\fi\fi}}% end of \test@vertix@nonav -\def\set@vrtx@nonafusev#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa\or\or - \or%%%%3 - \if\@tmpb a% - \global\@icliptrue% - \putlatom{207}{280}{\@memberb}% % left type - \else\relax - \fi - \or\or\or - \or%7 - \if\@tmpb a% - \global\@jcliptrue% - \putlatom{207}{65}{\@memberb}% % left type - \else\relax - \fi -\or%8 (= 3a) - \global\@icliptrue% - \putlatom{207}{280}{\@memberb}% % left type -\or%9 (= 7a) - \global\@jcliptrue% - \putlatom{207}{65}{\@memberb}% % left type -\fi\fi}% -}% end of the macro \set@vrtx@nonafusev -\def\nonaheterovi{\@ifnextchar({\@nona@heterovi(@}{\@nona@heterovi(@)}} -\def\@nona@heterovi(#1){\@ifnextchar[{\@nona@@heterovi(#1)[@}% -{\@nona@@heterovi(#1)[@]}} -\def\@nona@@heterovi(#1)[#2]#3#4{\@ifnextchar[% -{\@nonaheterovi(#1)[#2]{#3}{#4}[@}% -{\@nonaheterovi(#1)[#2]{#3}{#4}[@]}} -\def\@nonaheterovi(#1)[#2]#3#4[#5]{% -\iniflag\iniatom%initialize -\test@vertix@nonavi{#3}% -\@reset@ylsw% -\ylposition{#4}{0}{0}{4}{0}% %substituents on 1 to 3 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi -\else -{\let\ddd=\eee\let\eee=\fff\let\fff=\ggg -\ylposition{#4}{0}{3}{7}{0}%%substituents on 4 to 6 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\let\aaa=\hhh -\ylposition{#4}{-6}{0}{2}{0}%%substituent on 7 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@iclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-7}{7}% %8 for 3a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-171}\def\@@yli{-103}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@jclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-8}{1}% %9 for 7a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-171}\def\@@yli{-303}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(1200,880)(-\shiftii,-\shifti)% - \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `nonaheterovi' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -\begingroup -\resetbdsw% -\@bond@@omit{#5}% -{\let\fff=\jjj \let\eee=\iii% -\put(342,0){\set@skel@bond{#1}{a}{a}}% - % bond between 1 and 2 \@aaa -> \skbonda etc -\put(342,0){\set@skel@bond{#1}{b}{b}}% - % bond between 2 and 3 \@bbb -> \skbondb etc -\put(342,0){\set@skel@longbond{#1}{c}{skbondhorizi}}% - % bond between 3 and 3a \@ccc -> \skbondhoriz etc -\put(342,0){\set@skel@bond{#1}{j}{e}}% - % bond between 3a and 7a \@jjj -> \skbonde etc -\put(342,0){\set@skel@bond{#1}{i}{f}}% - % bond between 7a and 1 \@iii -> \skbondf etc -}% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% -\set@skel@bond{#1}{h}{a}% bond between 7a and 7 \@hhh -> \skbonda etc -\set@skel@bond{#1}{d}{c}% bond between 3a and 4 \@ddd -> \skbondc etc -\set@skel@bond{#1}{e}{d}% bond between 4 and 5 \@eee -> \skbondd etc -\set@skel@bond{#1}{f}{e}% bond between 5 and 6 \@fff -> \skbonde etc -\set@skel@bond{#1}{g}{f}% bond between 6 and 7 \@ggg -> \skbondf etc -}% -\endgroup -\@tfor\member:=#2\do{% -\if\member r\relax% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg - \let\ccc=\iii\let\bbb=\jjj - \put(0,0){\bondb}% bond between 3a and 7a - \put(0,0){\bondf}% bond between 6 and 7 - \put(0,0){\bondd}% bond between 4 and 5 -}% -\else\if\member l\relax% -\else\if\member a\relax% - \put(342,0){\bonda}% bond between 1 and 2 -\else\if\member b\relax% - \put(342,0){\bondb}% bond between 2 and 3 -\else\if\member c\relax% - \put(342,0){\bondhorizi}% bond between 3 and 3a -\else\if\member d\relax% -{\let\ccc=\iii \let\ddd=\eee% - \put(0,0){\bondc}% bond between 4 and 3a -}% -\else\if\member e\relax% -{\let\ddd=\eee\let\eee=\fff% - \put(0,0){\bondd}% bond between 4 and 5 -}% -\else\if\member f\relax% -{\let\eee=\fff \let\fff=\ggg% - \put(0,0){\bonde}% bond between 5 and 6 -}% -\else\if\member g\relax% -{\let\aaa=\hhh \let\fff=\ggg% - \put(0,0){\bondf}% bond between 7 and 6 -}% -\else\if\member h\relax% -{\let\aaa=\hhh \let\bbb=\jjj% - \put(0,0){\bonda}% bond between 7 and 7a -}% -\else\if\member i\relax% -{\let\fff=\jjj% - \put(342,0){\bondf}% bond between 1 and 7a -}% -\else\if\member j\relax% -{\let\ccc=\iii\let\bbb=\jjj% - \put(0,0){\bondb}% bond between 7a and 3a -}% -\else\if\member J\relax% -{\let\eee=\iii\let\fff=\jjj% - \put(342,0){\bonde}% bond between 7a and 3a -}% -\else\if\member A%left aromatic circle - \put(0,203){\circle{240}}% %circle -\else\if\member B%left aromatic circle - \put(342,233){\circle{180}} %circle 1993/11/20 S.Fujita -\else - \expandafter\twoCH@@R\member//% - \def\aax{7a} \def\aay{3a}% - \if\@@tmpa 1\relax% - \putratom{304}{282}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{402}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{402}{253}{\@@tmpb}% % right type - \else\if\@@tmpa 7\relax% - \putratom{-38}{282}{\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putlatom{-60}{120}{\@@tmpb}% % left type - \else\if\@@tmpa 5\relax% - \putlatom{-60}{253}{\@@tmpb}% % left type - \else\if\@@tmpa 4\relax% - \putratom{-38}{68}{\@@tmpb}% % right type - \else\if\@@tmpa 9\relax% - \putratom{60}{253}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aax\relax% - \putratom{60}{253}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aay\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \else\if\@@tmpa 8\relax% - \putratom{60}{120}{\@@tmpb}% % right type - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \expandafter\twoCH@R\member//% - \set@fusion@nonavi -\fi\fi\fi\fi\fi\fi\fi\fi\fi% -\fi\fi\fi\fi\fi\fi% -}% -\iniflag -\put(342,0){\set@hetatom@sixv{#3}{0}{0}{4}{0}% - \if@aclip \global\@acliptrue\fi - \if@bclip \global\@bcliptrue\fi - \if@cclip \global\@ccliptrue\fi -}% %substituents on 1 to 3 -\put(0,0){\set@hetatom@sixv{#3}{0}{3}{7}{0}% - \@gclipfalse \if@fclip \global\@gcliptrue \fi% - \@fclipfalse \if@eclip \global\@fcliptrue \fi% - \@eclipfalse \if@clip \global\@ecliptrue \fi}%substituents on 4 to 6 -\put(0,0){\set@hetatom@sixv{#3}{-6}{0}{2}{0}% - \@hclipfalse \if@aclip \global\@hcliptrue \fi}%%substituent on 7 -\put(0,0){\set@vrtx@nonafusevi{#3}% - \if@iclip \global\@icliptrue \fi - \if@jclip \global\@jcliptrue \fi}% fused positions -\put(342,0){\setsixringv{#4}{0}{0}{4}{0}}% %substituents on 1 to 3 -{\@clipfalse \if@eclip \@cliptrue \fi% %substituents on 4 to 6 - \@eclipfalse \if@fclip \@ecliptrue \fi% - \@fclipfalse \if@gclip \@fcliptrue \fi% -\put(0,0){\setsixringv{#4}{0}{3}{7}{0}}% -}% -{\@aclipfalse \if@hclip \@acliptrue \fi% %substituent on 7 -\put(0,0){\setsixringv{#4}{-6}{0}{2}{0}}% -}% -{\@clipfusefalse \if@iclip \@clipfusetrue \fi% - \put(171,103){\setatombond{#4}{-7}{7}}% %8 for 3a position -}% -{\@clipfusefalse \if@jclip \@clipfusetrue \fi% - \put(171,303){\setatombond{#4}{-8}{1}}% %9 for 7a position -}% -\end{picture}\iniatom\iniflag}% %end of \nonaheterovi macro -\def\test@vertix@nonavi#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa% - \or% - \if\@tmpb s\relax\def\aaa{}\else\def\aaa{@}\fi - \or%2 - \if\@tmpb s\relax\def\bbb{}\else\def\bbb{@}\fi - \or%3% - \if\@tmpb a% - \def\iii{@}%3a - \else\if\@tmpb s% - \def\ccc{}%3 - \else\if\@tmpb h% - \def\ccc{@}%3 - \else\ifx\@tmpb\empty% - \def\ccc{@}%3 - \fi\fi\fi\fi% - \or%4 - \if\@tmpb s\relax\def\eee{}\else\def\eee{@}\fi - \or%5 - \if\@tmpb s\relax\def\fff{}\else\def\fff{@}\fi - \or%6 - \if\@tmpb s\relax\def\ggg{}\else\def\ggg{@}\fi - \or%7 - \if\@tmpb a% - \xdef\jjj{@}%7a - \else\if\@tmpb s% - \xdef\hhh{}%7s - \else\if\@tmpb h% - \xdef\hhh{@}%7h - \else\ifx\@tmpb\empty% - \xdef\hhh{@}%7 - \fi\fi\fi\fi% -\or%8 (= 3a) - \if\@tmpb s\relax\def\iii{}\else\def\iii{@}\fi -\or%9 (= 7a) - \if\@tmpb s\relax\def\jjj{}\else\def\jjj{@}\fi -\fi\fi}} -\def\set@vrtx@nonafusevi#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else% -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa\or\or - \or%%%%3 - \if\@tmpb a% - \global\@icliptrue% - \putlatom{207}{65}{\@memberb}% % left type - \else\relax - \fi - \or\or\or - \or%7 - \if\@tmpb a% - \global\@jcliptrue% - \putlatom{207}{280}{\@memberb}% % left type - \else\relax - \fi -\or%8 (= 3a) - \global\@icliptrue% - \putlatom{207}{65}{\@memberb}% % left type -\or%9 (= 7a) - \global\@jcliptrue% - \putlatom{207}{280}{\@memberb}% % left type -\fi\fi}% -}% end of the macro \set@vrtx@nonafusevi -\def\purinev{\@ifnextchar[{\@purinev[@}{\@purinev[ra]}} -\def\@purinev[#1]#2{% -\iforigpt \typeout{command `purinev' % - is based on `nonaheterov'.}\fi% -\nonaheterov[#1]{1==N;3==N;5==N;7==N}{#2}} -\def\purinevi{\@ifnextchar[{\@purinevi[@}{\@purinevi[ra]}} -\def\@purinevi[#1]#2{% -\iforigpt \typeout{command `purinevi' % - is based on `nonaheterovi'.}\fi% -\nonaheterovi[#1]{1==N;3==N;5==N;7==N}{#2}} -\def\indolev{\@ifnextchar[{\@indolev[@}{\@indolev[rb]}} -\def\@indolev[#1]#2{% -\iforigpt \typeout{command `indolev' % - is based on `nonaheterov'.}\fi% -\nonaheterov[#1]{1==N}{#2}} -\def\indolevi{\@ifnextchar[{\@indolevi[@}{\@indolevi[rb]}} -\def\@indolevi[#1]#2{% -\iforigpt \typeout{command `indolevi' % - is based on `nonaheterovi'.}\fi% -\nonaheterovi[#1]{1==N}{#2}} -\def\indolizinev{% - \@ifnextchar[{\@indolizinev[@}{\@indolizinev[aceg]}} -\def\@indolizinev[#1]#2{% -\iforigpt \typeout{command `indolizinev' % - is based on `nonaheterov'.}\fi% -\nonaheterov[#1]{7a==N}{#2}} -\def\indolizinevi{% - \@ifnextchar[{\@indolizinevi[@}{\@indolizinevi[aceg]}} -\def\@indolizinevi[#1]#2{% -\iforigpt \typeout{command `indolizinevi' % - is based on `nonaheterovi'.}\fi% -\nonaheterovi[#1]{7a==N}{#2}} -\def\isoindolev{\@ifnextchar[{\@isoindolev[@}{\@isoindolev[cegi]}} -\def\@isoindolev[#1]#2{% -\iforigpt \typeout{command `isoindolev' % - is based on `nonaheterov'.}\fi% -\nonaheterov[#1]{2==N}{#2}} -\def\isoindolevi{\@ifnextchar[{\@isoindolevi[@}{\@isoindolevi[cegi]}} -\def\@isoindolevi[#1]#2{% -\iforigpt \typeout{command `isoindolevi' % - is based on `nonaheterovi'.}\fi% -\nonaheterovi[#1]{2==N}{#2}} -\def\benzofuranev{% - \@ifnextchar[{\@benzofuranev[@}{\@benzofuranev[rb]}} -\def\@benzofuranev[#1]#2{% -\iforigpt \typeout{command `benzofuranev' % - is based on `nonaheterov'.}\fi% -\nonaheterov[#1]{1==O}{#2}} -\def\benzofuranevi{% - \@ifnextchar[{\@benzofuranevi[@}{\@benzofuranevi[rb]}} -\def\@benzofuranevi[#1]#2{% -\iforigpt \typeout{command `benzofuranevi' % - is based on `nonaheterovi'.}\fi% -\nonaheterovi[#1]{1==O}{#2}} -\def\isobenzofuranev{\@ifnextchar[{\@isobenzofuranev[@}% - {\@isobenzofuranev[cegi]}} -\def\@isobenzofuranev[#1]#2{% -\iforigpt \typeout{command `isobenzofuranev' % - is based on `nonaheterov'.}\fi% -\nonaheterov[#1]{2==O}{#2}} -\def\isobenzofuranevi{\@ifnextchar[{\@isobenzofuranevi[@}% - {\@isobenzofuranevi[cegi]}} -\def\@isobenzofuranevi[#1]#2{% -\iforigpt \typeout{command `isobenzofuranevi' % - is based on `nonaheterovi'.}\fi% -\nonaheterovi[#1]{2==O}{#2}} -\def\benzoxazolev{% - \@ifnextchar[{\@benzoxazolev[@}{\@benzoxazolev[rb]}} -\def\@benzoxazolev[#1]#2{% -\iforigpt \typeout{command `benzoxazolev' % - is based on `nonaheterov'.}\fi% -\nonaheterov[#1]{1==O;3==N}{#2}} -\def\benzoxazolevi{% - \@ifnextchar[{\@benzoxazolevi[@}{\@benzoxazolevi[rb]}} -\def\@benzoxazolevi[#1]#2{% -\iforigpt \typeout{command `benzoxazolevi' % - is based on `nonaheterovi'.}\fi% -\nonaheterovi[#1]{1==O;3==N}{#2}} -\def\sixunitv{\@ifnextchar[{\@sixunitv[@}{\@sixunitv[@]}} -\def\@sixunitv[#1]#2#3#4{\sixheterov[#1]{#2}{#3}[#4]} -\def\fiveunitv{\@ifnextchar[{\@fiveunitv[@}{\@fiveunitv[r]}} -\def\@fiveunitv[#1]#2#3#4{\fiveheterov[#1]{#2}{#3}[#4]} -\def\fiveunitvi{\@ifnextchar[{\@fiveunitvi[@}{\@fiveunitvi[r]}} -\def\@fiveunitvi[#1]#2#3#4{\fiveheterovi[#1]{#2}{#3}[#4]} -\def\bondshoriz{% - \begin{picture}(200,300)(0,0) - \ifx\fff\empty% - \ifx\bbb\empty% - \put(-138,270){\line(1,0){134}}%double bond 4-3 - \else% - \put(-138,270){\line(1,0){115}}%double bond 4-3 - \fi% - \else% - \ifx\bbb\empty% - \put(-120,270){\line(1,0){115}}%double bond 4-3 - \else% - \put(-120,270){\line(1,0){96}}%double bond 4-3 - \fi% - \fi\end{picture}}% -\def\bondshorizi{% - \begin{picture}(200,300)(0,0) - \ifx\eee\empty% - \ifx\ccc\empty% - \put(-138,136){\line(1,0){134}}%double bond 4-3 - \else%% - \put(-138,136){\line(1,0){115}}%double bond 4-3 - \fi% - \else% - \ifx\ccc\empty% - \put(-120,136){\line(1,0){115}}%double bond 4-3 - \else% - \put(-120,136){\line(1,0){96}}%double bond 4-3 - \fi% - \fi\end{picture}}% -\def\skbondshoriz{% - \begin{picture}(200,300)(0,0) - \ifx\fff\empty% - \ifx\bbb\empty% - \put(-171,303){\line(1,0){200}}%bond 4-3 - \else% - \put(-171,303){\line(1,0){158}}%bond 4-3 - \fi% - \else% - \ifx\bbb\empty% - \put(29,303){\line(-1,0){158}}%bond 4-3 - \else% - \put(-129,303){\line(1,0){116}}%bond 4-3 - \fi% - \fi\end{picture}}% -\def\skbondshorizi{% - \begin{picture}(200,300)(0,0) - \ifx\eee\empty% - \ifx\ccc\empty% - \put(-171,103){\line(1,0){200}}%bond 4-3 - \else% - \put(-171,103){\line(1,0){158}}%bond 4-3 - \fi% - \else% - \ifx\ccc\empty% - \put(29,103){\line(-1,0){158}}%bond 4-3 - \else% - \put(-129,103){\line(1,0){116}}%bond 4-3 - \fi% - \fi\end{picture}}% -\def\dotskbondshoriz{% - \begin{picture}(200,300)(0,0) - \ifx\fff\empty% - \ifx\bbb\empty% - \@ifundefined{dottedline}{% - \put(-171,303){\line(1,0){200}}%bond 4-3 - }{{\thicklines% - \dottedline{20}(-171,303)(29,303)}}% - \else% - \@ifundefined{dottedline}{% - \put(-171,303){\line(1,0){158}}%bond 4-3 - }{{\thicklines% - \dottedline{20}(-171,303)(-29,303)}}% - \fi% - \else% - \ifx\bbb\empty% - \@ifundefined{dottedline}{% - \put(29,303){\line(-1,0){158}}%bond 4-3 - }{{\thicklines% - \dottedline{20}(29,303)(-129,303)}}% - \else% - \@ifundefined{dottedline}{% - \put(-129,303){\line(1,0){116}}%bond 4-3 - }{{\thicklines% - \dottedline{20}(-129,303)(-13,303)}}% - \fi% - \fi\end{picture}}% -\def\dotskbondshorizi{% - \begin{picture}(200,300)(0,0) - \ifx\eee\empty% - \ifx\ccc\empty% - \@ifundefined{dottedline}{% - \put(-171,103){\line(1,0){200}}%bond 4-3 - }{{\thicklines% - \dottedline{20}(-171,103)(29,103)}}% - \else% - \@ifundefined{dottedline}{% - \put(-171,103){\line(1,0){158}}%bond 4-3 - }{{\thicklines% - \dottedline{20}(-171,103)(-29,103)}}% - \fi% - \else% - \ifx\ccc\empty% - \@ifundefined{dottedline}{% - \put(29,103){\line(-1,0){158}}%bond 4-3 - }{{\thicklines% - \dottedline{20}(29,103)(-129,103)}}% - \else% - \@ifundefined{dottedline}{% - \put(-129,103){\line(1,0){116}}%bond 4-3 - }{{\thicklines% - \dottedline{20}(-129,103)(-13,103)}}% - \fi% - \fi\end{picture}}% -\def\fourhetero{\@ifnextchar({\@four@hetero(@}{\@four@hetero(@)}} -\def\@four@hetero(#1){\@ifnextchar[{\@four@@hetero(#1)[@}% -{\@four@@hetero(#1)[@]}} -\def\@four@@hetero(#1)[#2]#3#4{\@ifnextchar[% -{\@fourhetero(#1)[#2]{#3}{#4}[@}% -{\@fourhetero(#1)[#2]{#3}{#4}[@]}} -\def\@fourhetero(#1)[#2]#3#4[#5]{% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{e}{c}{b}{f}{@}{@}% -\@reset@ylsw% -\ylposition{#4}{5}{1}{4}{-1}% for 2 to 3 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{142}\def\@@yli{0}\fi -\else -\ylposition{#4}{4}{4}{6}{0}% for 1 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -\ylposition{#4}{2}{5}{7}{0}% for 4 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(800,880)(-571,-137)% - \iforigpt\put(-571,-137){\circle*{50}}% - \put(-171,103){\circle{50}}% - \typeout{command `fourhetero' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi% -\fi -{\resetbdsw% -\@bond@@omit{#5}% -\put(0,0){\set@skel@longbond{#1}{a}{skbondshorizi}}% - % bond between 1 and 2 \@aaa -> \skbondshorizi etc -\put(-142,0){\set@skel@bond{#1}{b}{b}}% - % bond between 2 and 3 \@bbb -> \skbondb etc -\put(0,0){\set@skel@longbond{#1}{c}{skbondshoriz}}% - % bond between 3 and 4 \@ccc -> \skbondshoriz etc -\put(0,0){\set@skel@bond{#1}{d}{e}}% - % bond between 4 and 1 \@ddd -> \skbonde etc -}% -\@tfor\member:=#2\do{% -\if\member r% -\else\if\member a\relax \put(0,0){\bondshorizi}% -\else\if\member b\relax \put(-142,0){\bondb}% -\else\if\member c\relax \put(0,0){\bondshoriz}% -\else\if\member d\relax \put(0,0){\bonde}% -\else - \expandafter\twoCH@@R\member//% - \set@fusionadd@fourv -\fi\fi\fi\fi\fi}% -\put(-142,0){\set@hetatom@sixv{#3}{5}{1}{4}{-1}}% for 2 to 3 -\put(0,0){\set@hetatom@sixv{#3}{4}{4}{6}{0}}% for 1 -\put(0,0){\set@hetatom@sixv{#3}{2}{5}{7}{0}}% for 4 -\put(-142,0){\setsixringv{#4}{5}{1}{4}{-1}}% for 2 to 3 -\put(0,0){\setsixringv{#4}{4}{4}{6}{0}}% for 1 -\put(0,0){\setsixringv{#4}{2}{5}{7}{0}}% for 4 -\end{picture}\iniatom\iniflag}% %end of \fourhetero macro -\def\set@fusionadd@fourv{% - \if\@@tmpa 1\relax% - \putlatom{-200}{120}{\scriptsize \@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{60}{120}{\scriptsize \@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{60}{233}{\scriptsize \@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putlatom{-200}{233}{\scriptsize \@@tmpb}% % right type - \else - \set@fusion@fourv - \fi\fi\fi\fi% -}% -\def\set@fusion@fourv{% -\if\@@tmpa d\relax% - \putlratom{-171}{303}{\@@tmpb}% % bond fused - \FuseWarning{0}{200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{d}% - \else\if\@@tmpa D\relax% - \putlratom{-171}{103}{\@@tmpb}% % bond fused - \FuseWarning{0}{-200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{D}% - \else\if\@@tmpa a\relax% - \putlratom{-173}{103}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{f}% - \else\if\@@tmpa A\relax% - \putlratom{27}{103}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa b\relax% - \putlratom{27}{103}{\@@tmpb}% % bond fused - \FuseWarning{0}{-200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{27}{303}{\@@tmpb}% % bond fused - \FuseWarning{0}{200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \else\if\@@tmpa c\relax% - \putlratom{27}{303}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}% - \else\if\@@tmpa C\relax% - \putlratom{-171}{303}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}% -\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@fourv - \def\bondtria{% - \ifx\ddd\empty% - \ifx\bbb\empty% - \put(-6,42){\line(3,5){72}}% %double bond 1-2 - \else% - \put(-6,42){\line(3,5){60}}% %double bond 1-2 - \fi% - \else% - \ifx\bbb\empty% - \put(6,62){\line(3,5){60}}% %double bond 1-2 - \else% - \put(10,32){\line(3,5){60}}% %double bond 1-2 - \fi% - \fi% -}% - \def\bondtrib{% - \ifx\ddd\empty% - \ifx\fff\empty% - \put(6,42){\line(-3,5){72}}% %double bond 1-3 - \else% - \put(6,42){\line(-3,5){60}}% %double bond 1-3 - \fi% - \else% - \ifx\fff\empty% - \put(-6,62){\line(-3,5){60}}% %double bond 1-2 - \else% - \put(6,42){\line(-3,5){60}}% %double bond 1-2 - \fi% - \fi% - }% -\def\skbondtria{% - \begin{picture}(200,200)(0,0) - \ifx\ddd\empty% - \ifx\bbb\empty% - \put(0,0){\line(3,5){103}}% %bond 1-2 - \else% - \put(0,0){\line(3,5){80}}% %bond 1-2 - \fi% - \else% - \ifx\bbb\empty% - \put(103,171){\line(-3,-5){80}}% %bond 1-2 - \else% - \put(35,21){\line(3,5){60}}% %bond 1-2 - \fi% - \fi\end{picture}}% -\def\skbondtrib{% - \begin{picture}(200,200)(0,0) - \ifx\ddd\empty% - \ifx\fff\empty% - \put(0,0){\line(-3,5){103}}% %bond 1-3 - \else% - \put(0,0){\line(-3,5){80}}% %bond 1-3 - \fi% - \else% - \ifx\fff\empty% - \put(-103,171){\line(3,-5){80}}% %bond 1-3 - \else% - \put(-35,21){\line(-3,5){60}}% %bond 1-3 - \fi% - \fi\end{picture}}% -\def\dotskbondtria{% - \begin{picture}(200,200)(0,0) - \ifx\ddd\empty% - \ifx\bbb\empty% - \@ifundefined{dottedline}{% - \put(0,0){\line(3,5){103}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(0,0)(103,171)}}% - \else% - \@ifundefined{dottedline}{% - \put(0,0){\line(3,5){80}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(0,0)(80,133)}}% - \fi% - \else% - \ifx\bbb\empty% - \@ifundefined{dottedline}{% - \put(103,171){\line(-3,-5){80}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(103,171)(23,38)}}% - \else% - \@ifundefined{dottedline}{% - \put(35,21){\line(3,5){60}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(35,21)(95,121)}}% - \fi% - \fi\end{picture}}% -\def\dotskbondtrib{% - \begin{picture}(200,200)(0,0) - \ifx\ddd\empty% - \ifx\fff\empty% - \@ifundefined{dottedline}{% - \put(0,0){\line(-3,5){103}}% %bond 1-3 - }{{\thicklines% - \dottedline{20}(0,0)(-103,171)}}% - \else% - \@ifundefined{dottedline}{% - \put(0,0){\line(-3,5){80}}% %bond 1-3 - }{{\thicklines% - \dottedline{20}(0,0)(-80,133)}}% - \fi% - \else% - \ifx\fff\empty% - \@ifundefined{dottedline}{% - \put(-103,171){\line(3,-5){80}}% %bond 1-3 - }{{\thicklines% - \dottedline{20}(-103,171)(-23,38)}}% - \else% - \@ifundefined{dottedline}{% - \put(-35,21){\line(-3,5){60}}% %bond 1-3 - }{{\thicklines% - \dottedline{20}(-35,21)(-95,121)}}% - \fi% - \fi\end{picture}}% -\def\threehetero{\@ifnextchar({\@three@hetero(@}{\@three@hetero(@)}} -\def\@three@hetero(#1){\@ifnextchar[{\@three@@hetero(#1)[@}% -{\@three@@hetero(#1)[@]}} -\def\@three@@hetero(#1)[#2]#3#4{\@ifnextchar[% -{\@threehetero(#1)[#2]{#3}{#4}[@}% -{\@threehetero(#1)[#2]{#3}{#4}[@]}} -\def\@threehetero(#1)[#2]#3#4[#5]{% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{d}{b}{f}{@}{@}{@}% -\@reset@ylsw% -\ylposition{#4}{3}{3}{5}{0}%subst 1 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{68}\def\@@yli{0}\fi -\else -\ylposition{#4}{0}{1}{3}{0}%subst 2 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{142}\def\@@yli{132}\fi -\else -\ylposition{#4}{3}{5}{7}{0}%subst 3 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{132}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(800,580)(-468,-240)% - \iforigpt \put(-468,-240){\circle*{50}}% - \put(-68,0){\circle{50}}% - \typeout{command `threeheterov' origin: % - (68,0) ---> (468,240)}\fi% -\fi -{\resetbdsw% -\@bond@@omit{#5}% -\put(-68,0){\set@skel@longbond{#1}{a}{skbondtria}}% - % bond between 1 and 2 \@aaa -> \skbondtria etc -\put(0,-132){\set@skel@longbond{#1}{b}{skbondshoriz}}% - % bond between 2 and 3 \@bbb -> \skbondb etc -\put(-68,0){\set@skel@longbond{#1}{c}{skbondtrib}}% - % bond between 3 and 1 \@ccc -> \skbondtria etc -}% -\@tfor\member:=#2\do{% -\if\member r\relax% -\else\if\member a\relax\put(-68,0){\bondtria}% -\else\if\member b\relax\put(0,-126){\bondshoriz}% -\else\if\member c\relax\put(-68,0){\bondtrib}% -\else\if\member A\relax% aromatic circle - \put(-70,108){\circle{100}}% %circle -\else - \expandafter\twoCH@@R\member//% - \set@fusionadd@threev -\fi\fi\fi\fi\fi% -}% -\put(-68,0){\set@hetatom@sixv{#3}{3}{3}{5}{0}% -\if@clip\global\@cliptrue\fi -}%subst 1 -\put(-142,-132){\set@hetatom@sixv{#3}{0}{1}{3}{0}% -\if@bclip\global\@bcliptrue\fi -}%subst 2 -\put(0,-132){\set@hetatom@sixv{#3}{3}{5}{7}{0}% -\if@fclip\global\@fcliptrue\fi -}%subst 3 -\put(-68,0){\setsixringv{#4}{3}{3}{5}{0}}%subst 1 -\put(-142,-132){\setsixringv{#4}{0}{1}{3}{0}}%subst 2 -\put(0,-132){\setsixringv{#4}{3}{5}{7}{0}}%subst 3 -\end{picture}% -\iniatom\iniflag}% %end of \threehetero macro -\let\threeheterov=\threehetero -\def\set@fusionadd@threev{% - \if\@@tmpa 0\relax% - \putratom{-94}{92}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 1\relax% - \putratom{-94}{60}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{-52}{120}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{-126}{126}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{-30}{-20}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{52}{110}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putratom{-250}{110}{\scriptsize\@@tmpb}% % right type - \else - \set@fusion@threev - \fi\fi\fi\fi\fi\fi\fi% -}% -\def\set@fusion@threev{% -\if\@@tmpa b\relax% - \putlratom{29}{171}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{-171}{171}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \else\if\@@tmpa a\relax% - \putlratom{-68}{0}{\@@tmpb}% % bond fused - \FuseWarning{-103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{29}{171}{\@@tmpb}% % bond fused - \FuseWarning{103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa c\relax% - \putlratom{-171}{171}{\@@tmpb}% % bond fused - \FuseWarning{-103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}% - \else\if\@@tmpa C\relax% - \putlratom{-68}{0}{\@@tmpb}% % bond fused - \FuseWarning{103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}% -\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@threev - \def\Bondtria{% - \ifx\aaa\empty% - \ifx\ccc\empty% - \put(-6,-42){\line(3,-5){72}}% %double bond 1-2 - \else% - \put(-6,-42){\line(3,-5){60}}% %double bond 1-2 - \fi% - \else% - \ifx\ccc\empty% - \put(6,-62){\line(3,-5){60}}% %double bond 1-2 - \else% - \put(10,-32){\line(3,-5){60}}% %double bond 1-2 - \fi% - \fi% -}% - \def\Bondtrib{% - \ifx\aaa\empty% - \ifx\eee\empty% - \put(6,-42){\line(-3,-5){72}}% %double bond 1-3 - \else% - \put(6,-42){\line(-3,-5){60}}% %double bond 1-3 - \fi% - \else% - \ifx\fff\empty% - \put(-6,-62){\line(-3,-5){60}}% %double bond 1-2 - \else% - \put(6,-42){\line(-3,-5){60}}% %double bond 1-2 - \fi% - \fi% - }% -\def\skBondtria{% - \ifx\aaa\empty% - \ifx\ccc\empty% - \put(0,0){\line(3,-5){103}}% %bond 1-2 - \else% - \put(0,0){\line(3,-5){80}}% %bond 1-2 - \fi% - \else% - \ifx\ccc\empty% - \put(103,-171){\line(-3,5){80}}% %bond 1-2 - \else% - \put(35,-21){\line(3,-5){60}}% %bond 1-2 - \fi% - \fi -}% -\def\skBondtrib{% - \ifx\aaa\empty% - \ifx\eee\empty% - \put(0,0){\line(-3,-5){103}}% %bond 1-3 - \else% - \put(0,0){\line(-3,-5){80}}% %bond 1-3 - \fi% - \else% - \ifx\eee\empty% - \put(-103,-171){\line(3,5){80}}% %bond 1-3 - \else% - \put(-35,-21){\line(-3,-5){60}}% %bond 1-3 - \fi% - \fi -}% -\def\dotskBondtria{% - \ifx\aaa\empty% - \ifx\ccc\empty% - \@ifundefined{dottedline}{% - \put(0,0){\line(3,-5){103}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(0,0)(103,-171)}}% - \else% - \@ifundefined{dottedline}{% - \put(0,0){\line(3,-5){80}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(0,0)(80,-133)}}% - \fi% - \else% - \ifx\ccc\empty% - \@ifundefined{dottedline}{% - \put(103,-171){\line(-3,5){80}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(103,-171)(23,-38)}}% - \else% - \@ifundefined{dottedline}{% - \put(35,-21){\line(3,-5){60}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(35,-21)(95,-121)}}% - \fi% - \fi -}% -\def\dotskBondtrib{% - \ifx\aaa\empty% - \ifx\eee\empty% - \@ifundefined{dottedline}{% - \put(0,0){\line(-3,-5){103}}% %bond 1-3 - }{{\thicklines% - \dottedline{20}(0,0)(-103,-171)}}% - \else% - \@ifundefined{dottedline}{% - \put(0,0){\line(-3,-5){80}}% %bond 1-3 - }{{\thicklines% - \dottedline{20}(0,0)(-80,-133)}}% - \fi% - \else% - \ifx\eee\empty% - \@ifundefined{dottedline}{% - \put(-103,-171){\line(3,5){80}}% %bond 1-3 - }{{\thicklines% - \dottedline{20}(-103,-171)(-23,-38)}}% - \else% - \@ifundefined{dottedline}{% - \put(-35,-21){\line(-3,-5){60}}% %bond 1-3 - }{{\thicklines% - \dottedline{20}(-35,-21)(-95,-121)}}% - \fi% - \fi -}% -\def\threeheteroi{\@ifnextchar({\@three@heteroi(@}{\@three@heteroi(@)}} -\def\@three@heteroi(#1){\@ifnextchar[{\@three@@heteroi(#1)[@}% -{\@three@@heteroi(#1)[@]}} -\def\@three@@heteroi(#1)[#2]#3#4{\@ifnextchar[% -{\@threeheteroi(#1)[#2]{#3}{#4}[@}% -{\@threeheteroi(#1)[#2]{#3}{#4}[@]}} -\def\@threeheteroi(#1)[#2]#3#4[#5]{% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{a}{c}{e}{@}{@}{@}% -\@reset@ylsw% -\ylposition{#4}{0}{0}{2}{0}%subst 1 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{68}\def\@@yli{406}\fi -\else -\ylposition{#4}{1}{2}{4}{0}%subst 2 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{142}\def\@@yli{275}\fi -\else -\ylposition{#4}{2}{4}{6}{0}%subst 3 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{275}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(800,580)(-468,-340)% - \iforigpt \put(-468,-340){\circle*{50}}% - \put(-68,0){\circle{50}}% - \typeout{command `threeheteroi' origin: % - (0,0) ---> (-468,-340)}\fi% -\fi -{\resetbdsw% -\@bond@@omit{#5}% -\put(-68,0){\set@skel@longbond{#1}{a}{skBondtria}}% - % bond between 1 and 2 \@aaa -> \skBondtria etc -\put(0,-275){\set@skel@longbond{#1}{b}{skbondshorizi}}% - % bond between 2 and 3 \@bbb -> \skbondb etc -\put(-68,0){\set@skel@longbond{#1}{c}{skBondtrib}}% - % bond between 3 and 1 \@ccc -> \skBondtrib etc -}% -\@tfor\member:=#2\do{% -\if\member r\relax% -\else\if\member a\relax\put(-68,0){\Bondtria}% -\else\if\member b\relax\put(0,-274){\bondshorizi}% -\else\if\member c\relax\put(-68,0){\Bondtrib}% -\else\if\member A\relax% aromatic circle - \put(-70,-108){\circle{100}}% %circle -\else - \expandafter\twoCH@@R\member//% - \set@fusionadd@threevi -\fi\fi\fi\fi\fi% -}% -\put(-68,-406){\set@hetatom@sixv{#3}{0}{0}{2}{0}% -\if@aclip\global\@acliptrue\fi -}%subst 1 -\put(0,-275){\set@hetatom@sixv{#3}{2}{4}{6}{0}% -\if@eclip\global\@ecliptrue\fi -}%subst 3 -\put(-142,-275){\set@hetatom@sixv{#3}{1}{2}{4}{0}% -\if@cclip\global\@ccliptrue\fi -}%subst 2 -\put(-68,-406){\setsixringv{#4}{0}{0}{2}{0}}%subst 1 -\put(0,-275){\setsixringv{#4}{2}{4}{6}{0}}%subst 3 -\put(-142,-275){\setsixringv{#4}{1}{2}{4}{0}}%subst 2 -\end{picture}% -\iniatom\iniflag}% %end of \threeheteroi macro -\let\threeheterovi=\threeheteroi -\def\set@fusionadd@threevi{% - \if\@@tmpa 0\relax% - \putratom{-94}{-120}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 1\relax% - \putratom{-94}{-80}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{-52}{-150}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{-126}{-150}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{-30}{0}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{32}{-130}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putratom{-230}{-130}{\scriptsize\@@tmpb}% % right type - \else - \set@fusion@threevi - \fi\fi\fi\fi\fi\fi\fi% -}% -\def\set@fusion@threevi{% -\if\@@tmpa b\relax% - \putlratom{29}{-171}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{-171}{-171}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \else\if\@@tmpa a\relax% - \putlratom{-68}{0}{\@@tmpb}% % bond fused - \FuseWarning{-103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{29}{-171}{\@@tmpb}% % bond fused - \FuseWarning{103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa c\relax% - \putlratom{-171}{-171}{\@@tmpb}% % bond fused - \FuseWarning{103}{171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}% - \else\if\@@tmpa C\relax% - \putlratom{-68}{0}{\@@tmpb}% % bond fused - \FuseWarning{-103}{-171}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}% -\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@threevi -\endinput -%% -%% End of file `hetarom.sty'. diff --git a/Master/texmf-dist/tex/latex/xymtex/hetaromh.sty b/Master/texmf-dist/tex/latex/xymtex/hetaromh.sty deleted file mode 100644 index 23f00dbb23b..00000000000 --- a/Master/texmf-dist/tex/latex/xymtex/hetaromh.sty +++ /dev/null @@ -1,2435 +0,0 @@ -%% -%% This is file `hetaromh.sty', -%% generated with the docstrip utility. -%% -%% The original source files were: -%% -%% hetaromh.dtx (with options: `hetaromh') -%% -%% This is a generated file. -%% -%% Copyright 1996,1998,2000 by Shinsaku Fujita -%% -%% This file is part of the XyMTeX system. -%% ======================================= -%% -%% Version 1.01 Released on August 16, 1996 -%% Version 1.02 Released on October 31, 1996 (private version) -%% Version 2.00 Released on December 25, 1998 -%% Version 2.00a Released on November 11, 2000 -%% -%% Copyright (C) 1996, 1998, 2000 by Shinsaku Fujita, all rights reserved. -%% This style file is created for drawing chemical structural formulas -%% This style file is to be contained in the ``xymtex'' directory which -%% is an input directory for TeX. -%% -%% Copying of this file is authorized only if either -%% -%% (1) you make absolutely no changes to your copy, including name and -%% directory name -%% (2) if you do make changes, -%% (a) you name it something other than the names included in the -%% ``xymtex'' directory and -%% (b) you acknowledge the original name. -%% This restriction ensures that all standard styles are identical. -%% -%% ======================================= -%% -%% This file contains several codes modified from latex.tex (LaTeX2.09) -%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -%% Copyright 1994 the LaTeX3 project and the individual authors (For further -%% copyright information see the file legal.txt of the LaTeX2e standard -%% distribution, and any other copyright indicated in this file.) -%% -%% File: hetaromh.dtx -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00} -\typeout{ -- Released December 25, 1998 by Shinsaku Fujita} -\def\j@urnalname{hetaromh} -\def\versi@ndate{November 11, 2000} -\def\versi@nno{ver2.00a} -\def\copyrighth@lder{SF} % Shinsaku Fujita -\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>% -\space[\copyrighth@lder]} -\@ifundefined{setsixringv}{\input chemstr.sty\relax}{}% -\@ifundefined{test@vertix@decavi}{\input hetarom.sty\relax}{}% -\unitlength=0.1pt% -\iniatom% -\def\hbonda{% - \ifx\aaa\empty% - \ifx\bbb\empty% - \put(42,6){\line(3,5){78}}% %double bond 1-2 - \else% - \put(42,6){\line(3,5){62}}% %double bond 1-2 - \fi% - \else% - \ifx\bbb\empty% - \put(57,36){\line(3,5){62}}% %double bond 1-2 - \else% - \put(57,36){\line(3,5){62}}% %double bond 1-2 - \fi\fi}% -\def\hbondf{% - \ifx\aaa\empty% - \ifx\fff\empty% - \put(42,-6){\line(3,-5){78}}% %double bond 1-6 - \else% - \put(42,-6){\line(3,-5){62}}% %double bond 1-6 - \fi% - \else% - \ifx\fff\empty% - \put(57,-36){\line(3,-5){62}}% %double bond 1-6 - \else% - \put(57,-36){\line(3,-5){62}}% %double bond 1-6 - \fi\fi}% - \def\hbondb{% - \ifx\bbb\empty% - \ifx\ccc\empty% - \put(129,138){\line(1,0){148}}% %double bond 2-3 - \else% - \put(129,138){\line(1,0){134}}% %double bond 3-2 - \fi% - \else% - \ifx\ccc\empty% - \put(143,138){\line(1,0){134}}% %double bond 3-2 - \else% - \put(143,138){\line(1,0){110}}% %double bond 3-2 - \fi\fi}% - \def\hbondc{% - \ifx\ddd\empty% - \ifx\ccc\empty% - \put(364,6){\line(-3,5){78}}% %double bond 4-3 - \else% - \put(364,6){\line(-3,5){62}}% %double bond 4-3 - \fi% - \else% - \ifx\ccc\empty% - \put(349,36){\line(-3,5){62}}% %double bond 4-3 - \else% - \put(349,36){\line(-3,5){62}}% %double bond 4-3 - \fi\fi}% - \def\hbondd{% - \ifx\ddd\empty% - \ifx\eee\empty% - \put(364,-6){\line(-3,-5){78}}% %double bond 4-5 - \else% - \put(364,-6){\line(-3,-5){62}}% %double bond 4-5 - \fi% - \else% - \ifx\eee\empty% - \put(349,-36){\line(-3,-5){62}}% %double bond 4-5 - \else% - \put(349,-36){\line(-3,-5){62}}% %double bond 4-5 - \fi\fi}% -\def\hbonde{% - \ifx\fff\empty% - \ifx\eee\empty% - \put(129,-138){\line(1,0){148}}% %double bond 6-5 - \else% - \put(129,-138){\line(1,0){134}}% %double bond 5-6 - \fi% - \else% - \ifx\eee\empty% - \put(143,-138){\line(1,0){134}}% %double bond 5-6 - \else% - \put(143,-138){\line(1,0){110}}% %double bond 5-6 - \fi\fi}% -\def\hbondvert{% - \ifx\fff\empty% - \ifx\bbb\empty% - \put(136,-138){\line(0,1){277}}% %double bond 4-3 - \else% - \put(136,-138){\line(0,1){258}}% %double bond 4-3 - \fi% - \else% - \ifx\bbb\empty% - \put(136,-120){\line(0,1){258}}% %double bond 4-3 - \else - \put(136,-120){\line(0,1){239}}% %double bond 4-3 - \fi\fi}% -\def\hbondverti{% - \ifx\eee\empty% - \ifx\ccc\empty% - \put(270,-138){\line(0,0){277}}% %double bond 4-3 - \else% - \put(270,-138){\line(0,1){258}}% %double bond 4-3 - \fi% - \else% - \ifx\ccc\empty% - \put(270,-120){\line(0,1){258}}% %double bond 4-3 - \else% - \put(270,-120){\line(0,1){239}}% %double bond 4-3 - \fi\fi}% -\def\hskbonda{% - \ifx\aaa\empty% - \ifx\bbb\empty% - \put(0,0){\line(3,5){103}}% %bond 1-2 - \else% - \put(0,0){\line(3,5){79}}% %bond 1-2 - \fi% - \else% - \ifx\bbb\empty% - \put(24,40){\line(3,5){79}}% %bond 1-2 - \else% - \put(24,40){\line(3,5){62}}% %bond 1-2 - \fi\fi}% -\def\hskbondf{% - \ifx\aaa\empty% - \ifx\fff\empty - \put(0,0){\line(3,-5){103}}% %bond 1-6 - \else% - \put(0,0){\line(3,-5){79}}% %bond 1-6 - \fi% - \else% - \ifx\fff\empty% - \put(24,-40){\line(3,-5){79}}% %bond 1-6 - \else% - \put(24,-40){\line(3,-5){62}}% %bond 1-6 - \fi\fi}% -\def\hskbondc{% - \ifx\ddd\empty% - \ifx\ccc\empty% - \put(406,0){\line(-3,5){103}}% %bond 4-3 - \else% - \put(406,0){\line(-3,5){79}}% %bond 4-3 - \fi% - \else% - \ifx\ccc\empty% - \put(382,40){\line(-3,5){79}}% %bond 4-3 - \else% - \put(382,40){\line(-3,5){62}}% %bond 4-3 - \fi\fi}% -\def\hskbondd{% - \ifx\ddd\empty% - \ifx\eee\empty% - \put(406,0){\line(-3,-5){103}}% %bond 4-5 - \else% - \put(406,0){\line(-3,-5){79}}% %bond 4-5 - \fi% - \else% - \ifx\eee\empty% - \put(382,-40){\line(-3,-5){79}}% %bond 4-5 - \else% - \put(382,-40){\line(-3,-5){62}}% %bond 4-5 - \fi\fi}% -\def\hskbondb{% - \ifx\bbb\empty% - \ifx\ccc\empty% - \put(103,171){\line(1,0){200}}% %bond 2-3 - \else% - \put(103,171){\line(1,0){160}}% %bond 3-2 - \fi% - \else% - \ifx\ccc\empty% - \put(143,171){\line(1,0){160}}% %bond 3-2 - \else% - \put(143,171){\line(1,0){120}}% %bond 3-2 - \fi\fi}% -\def\hskbonde{% - \ifx\eee\empty% - \ifx\fff\empty% - \put(103,-171){\line(1,0){200}}% %bond 6-5 - \else% - \put(143,-171){\line(1,0){160}}% %bond 5-6 - \fi% - \else% - \ifx\fff\empty% - \put(103,-171){\line(1,0){160}}% %bond 5-6 - \else% - \put(143,-171){\line(1,0){120}}% %bond 5-6 - \fi\fi}% -\def\hskbondvert{% - \ifx\fff\empty% - \ifx\bbb\empty% - \put(103,-171){\line(0,1){342}}% %bond 4-3 - \else% - \put(103,-171){\line(0,1){300}}% %bond 4-3 - \fi% - \else% - \ifx\bbb\empty% - \put(103,171){\line(0,-1){300}}% %bond 4-3 - \else% - \put(103,-129){\line(0,1){258}}% %bond 4-3 - \fi\fi}% -\def\hskbondverti{% - \ifx\eee\empty% - \ifx\ccc\empty% - \put(303,-171){\line(0,1){342}}% %bond 4-3 - \else% - \put(303,-171){\line(0,1){300}}% %bond 4-3 - \fi% - \else% - \ifx\ccc\empty% - \put(303,171){\line(0,-1){300}}% %bond 4-3 - \else% - \put(303,-129){\line(0,1){258}}% %bond 4-3 - \fi\fi}% -\def\dothskbonda{% - \ifx\aaa\empty% - \ifx\bbb\empty% - \@ifundefined{dottedline}{% - \put(0,0){\line(3,5){103}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(0,0)(103,171)}}% - \else% - \@ifundefined{dottedline}{% - \put(0,0){\line(3,5){79}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(0,0)(79,132)}}% - \fi% - \else% - \ifx\bbb\empty% - \@ifundefined{dottedline}{% - \put(24,40){\line(3,5){79}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(24,40)(103,171)}}% - \else% - \@ifundefined{dottedline}{% - \put(24,40){\line(3,5){62}}% %bond 1-2 - }{{\thicklines% - \dottedline{20}(24,40)(86,143)}}% - \fi\fi}% -\def\dothskbondb{% - \ifx\bbb\empty% - \ifx\ccc\empty% - \@ifundefined{dottedline}{% - \put(103,171){\line(1,0){200}}% %bond 2-3 - }{{\thicklines% - \dottedline{20}(103,171)(303,171)}}% - \else% - \@ifundefined{dottedline}{% - \put(103,171){\line(1,0){160}}% %bond 3-2 - }{{\thicklines% - \dottedline{20}(103,171)(263,171)}}% - \fi% - \else% - \ifx\ccc\empty% - \@ifundefined{dottedline}{% - \put(143,171){\line(1,0){160}}% %bond 3-2 - }{{\thicklines% - \dottedline{20}(143,171)(303,171)}}% - \else% - \@ifundefined{dottedline}{% - \put(143,171){\line(1,0){120}}% %bond 3-2 - }{{\thicklines% - \dottedline{20}(143,171)(263,171)}}% - \fi\fi}% -\def\dothskbondc{% - \ifx\ddd\empty% - \ifx\ccc\empty% - \@ifundefined{dottedline}{% - \put(406,0){\line(-3,5){103}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(406,0)(303,171)}}% - \else% - \@ifundefined{dottedline}{% - \put(406,0){\line(-3,5){79}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(406,0)(327,132)}}% - \fi% - \else% - \ifx\ccc\empty% - \@ifundefined{dottedline}{% - \put(382,40){\line(-3,5){79}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(382,40)(303,171)}}% - \else% - \@ifundefined{dottedline}{% - \put(382,40){\line(-3,5){62}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(382,40)(320,143)}}% - \fi\fi}% -\def\dothskbondd{% - \ifx\ddd\empty% - \ifx\eee\empty% - \@ifundefined{dottedline}{% - \put(406,0){\line(-3,-5){103}}% %bond 4-5 - }{{\thicklines% - \dottedline{20}(406,0)(303,-171)}}% - \else% - \@ifundefined{dottedline}{% - \put(406,0){\line(-3,-5){79}}% %bond 4-5 - }{{\thicklines% - \dottedline{20}(406,0)(327,-132)}}% - \fi% - \else% - \ifx\eee\empty% - \@ifundefined{dottedline}{% - \put(382,-40){\line(-3,-5){79}}% %bond 4-5 - }{{\thicklines% - \dottedline{20}(382,-40)(303,-171)}}% - \else% - \@ifundefined{dottedline}{% - \put(382,-40){\line(-3,-5){62}}% %bond 4-5 - }{{\thicklines% - \dottedline{20}(382,-40)(320,-143)}}% - \fi\fi}% -\def\dothskbonde{% - \ifx\eee\empty% - \ifx\fff\empty% - \@ifundefined{dottedline}{% - \put(103,-171){\line(1,0){200}}% %bond 6-5 - }{{\thicklines% - \dottedline{20}(103,-171)(303,-171)}}% - \else% - \@ifundefined{dottedline}{% - \put(143,-171){\line(1,0){160}}% %bond 5-6 - }{{\thicklines% - \dottedline{20}(143,-171)(303,-171)}}% - \fi% - \else% - \ifx\fff\empty% - \@ifundefined{dottedline}{% - \put(103,-171){\line(1,0){160}}% %bond 5-6 - }{{\thicklines% - \dottedline{20}(103,-171)(263,-171)}}% - \else% - \@ifundefined{dottedline}{% - \put(143,-171){\line(1,0){120}}% %bond 5-6 - }{{\thicklines% - \dottedline{20}(143,-171)(263,-171)}}% - \fi\fi}% -\def\dothskbondf{% - \ifx\aaa\empty% - \ifx\fff\empty - \@ifundefined{dottedline}{% - \put(0,0){\line(3,-5){103}}% %bond 1-6 - }{{\thicklines% - \dottedline{20}(0,0)(103,-171)}}% - \else% - \@ifundefined{dottedline}{% - \put(0,0){\line(3,-5){79}}% %bond 1-6 - }{{\thicklines% - \dottedline{20}(0,0)(79,-131)}}% - \fi% - \else% - \ifx\fff\empty% - \@ifundefined{dottedline}{% - \put(24,-40){\line(3,-5){79}}% %bond 1-6 - }{{\thicklines% - \dottedline{20}(24,-40)(103,-171)}}% - \else% - \@ifundefined{dottedline}{% - \put(24,-40){\line(3,-5){62}}% %bond 1-6 - }{{\thicklines% - \dottedline{20}(24,-40)(86,-143)}}% - \fi\fi}% -\def\dothskbondvert{% - \ifx\fff\empty% - \ifx\bbb\empty% - \@ifundefined{dottedline}{% - \put(103,-171){\line(0,1){342}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(103,-171)(103,171)}}% - \else% - \@ifundefined{dottedline}{% - \put(103,-171){\line(0,1){300}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(103,-171)(103,129)}}% - \fi% - \else% - \ifx\bbb\empty% - \@ifundefined{dottedline}{% - \put(103,171){\line(0,-1){300}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(103,171)(103,-129)}}% - \else% - \@ifundefined{dottedline}{% - \put(103,-129){\line(0,1){258}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(103,-129)(103,129)}}% - \fi\fi}% -\def\dothskbondverti{% - \ifx\eee\empty% - \ifx\ccc\empty% - \@ifundefined{dottedline}{% - \put(303,-171){\line(0,1){342}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(303,-171)(303,171)}}% - \else% - \@ifundefined{dottedline}{% - \put(303,-171){\line(0,1){300}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(303,-171)(303,129)}}% - \fi% - \else% - \ifx\ccc\empty% - \@ifundefined{dottedline}{% - \put(303,171){\line(0,-1){300}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(303,171)(303,-129)}}% - \else% - \@ifundefined{dottedline}{% - \put(303,-129){\line(0,1){258}}% %bond 4-3 - }{{\thicklines% - \dottedline{20}(303,-129)(303,129)}}% - \fi\fi}% -\def\set@skel@bondh#1#2#3{% - \expandafter\if\csname @#2#2#2\endcsname #2\relax%OK - % \if\@aaa #2\relax%OK - \@skbondlistfalse - \@tfor\member:=#1\do{% - \expandafter\twoCH@@R\member// - \if\@@tmpa #2\relax% - \if\@@tmpb A\relax% - \expandafter\csname dothskbond#3\endcsname% \dothskbonda etc. - \@skbondlisttrue - \else\if\@@tmpb B\relax% - {\thicklines - \expandafter\csname hskbond#3\endcsname% \hskbonda etc. - }% - \@skbondlisttrue - \fi\fi - \fi% - }% - \if@skbondlist\else - {\thinlines - \expandafter\csname hskbond#3\endcsname% \hskbonda etc. - }% - \fi% - \else - \expandafter\ifx\csname @#2#2#2\endcsname \empty\relax% - % \ifx\@aaa\empty\relax - \@tfor\member:=#1\do{% - \expandafter\twoCH@@R\member// - \if\@@tmpa #2\relax% - \XyMTeXWarning{Unavailable bond `#2' in SKBONDLIST}\fi - }% - \fi\fi -}% end of \set@skel@bondh -\def\sixheteroh{\@ifnextchar({\@six@heteroh(@}{\@six@heteroh(@)}} -\def\@six@heteroh(#1){\@ifnextchar[{\@six@@heteroh(#1)[@}% -{\@six@@heteroh(#1)[@]}} -\def\@six@@heteroh(#1)[#2]#3#4{\@ifnextchar[% -{\@sixheteroh(#1)[#2]{#3}{#4}[@}% -{\@sixheteroh(#1)[#2]{#3}{#4}[@]}} -\def\@sixheteroh(#1)[#2]#3#4[#5]{% -\iniatom\iniflag%initialize -\test@vrtx@sixh{#3}% -\@reset@ylsw% -\ylpositionh{#4}{0}{0}{7}{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff -\begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(880,800)(-240,-400)% - \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `sixheteroh' origin: % - (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi% -\fi -{% -\resetbdsw% -\@bond@@omit{#5}% -\set@skel@bondh{#1}{a}{a}% bond between 1 and 2 \@aaa -> \hskbonda etc -\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc -\set@skel@bondh{#1}{c}{c}% bond between 3 and 4 \@ccc -> \hskbondc etc -\set@skel@bondh{#1}{d}{d}% bond between 4 and 5 \@ddd -> \hskbondd etc -\set@skel@bondh{#1}{e}{e}% bond between 5 and 6 \@eee -> \hskbonde etc -\set@skel@bondh{#1}{f}{f}% bond between 6 and 1 \@fff -> \hskbondf etc -}% -\@tfor\member:=#2\do{% -\if\member r\relax \hbondd \hbondf \hbondb% -\else \if\member l\relax \hbonda \hbondc \hbonde% -\else \if\member a\relax \hbonda% -\else \if\member b\relax \hbondb% -\else \if\member c\relax \hbondc% -\else \if\member d\relax \hbondd% -\else \if\member e\relax \hbonde% -\else \if\member f\relax \hbondf% -\else \if\member A%left aromatic circle - \put(203,0){\circle{240}}% %circle -\else \expandafter\twoCH@@R\member//% - \set@fusionadd@sixh -\fi\fi\fi\fi\fi\fi\fi\fi\fi}% -\set@hetatom@sixh{#3}{0}{0}{7}{0}% %atom 1--6% -\setsixringh{#4}{0}{0}{7}{0}% %subst 1--6 -\end{picture}\iniatom\iniflag}% %end of \sixheteroh macro -\def\test@vrtx@sixh#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa% - \or% \xdef\aaa{\@memberb}% - \if\@tmpb s\relax\def\aaa{}\else\def\aaa{@}\fi - \or% \xdef\bbb{\@memberb}% - \if\@tmpb s\relax\def\bbb{}\else\def\bbb{@}\fi - \or% \xdef\ccc{\@memberb}% - \if\@tmpb s\relax\def\ccc{}\else\def\ccc{@}\fi - \or% \xdef\ddd{\@memberb}% - \if\@tmpb s\relax\def\ddd{}\else\def\ddd{@}\fi - \or% \xdef\eee{\@memberb}% - \if\@tmpb s\relax\def\eee{}\else\def\eee{@}\fi - \or% \xdef\fff{\@memberb}% - \if\@tmpb s\relax\def\fff{}\else\def\fff{@}\fi -\fi\fi}% -}% end of \test@vrtx@sixh -\def\sixheterohi{\@ifnextchar({\@six@heterohi(@}{\@six@heterohi(@)}} -\def\@six@heterohi(#1){\@ifnextchar[{\@six@@heterohi(#1)[@}% -{\@six@@heterohi(#1)[@]}} -\def\@six@@heterohi(#1)[#2]#3#4{\@ifnextchar[% -{\@sixheterohi(#1)[#2]{#3}{#4}[@}% -{\@sixheterohi(#1)[#2]{#3}{#4}[@]}} -\def\@sixheterohi(#1)[#2]#3#4[#5]{% -\iniatom\iniflag%initialize -\test@vrtx@sixhi{#3}% -\@reset@ylsw% -\ylpositionh{#4}{5}{0}{5}{-1}% %subst 1--4 -\ylpositionh{#4}{11}{4}{7}{-1}% %subst 5 and 6 -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(880,800)(-240,-400)% - \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `sixheterohi' origin: % - (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi% -\fi -{\resetbdsw% -\@bond@@omit{#5}% -\set@skel@bondh{#1}{a}{c}% bond between 1 and 2 \@aaa -> \hskbondc etc -\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc -\set@skel@bondh{#1}{c}{a}% bond between 3 and 4 \@ccc -> \hskbonda etc -\set@skel@bondh{#1}{d}{f}% bond between 4 and 5 \@ddd -> \hskbondf etc -\set@skel@bondh{#1}{e}{e}% bond between 5 and 6 \@eee -> \hskbonde etc -\set@skel@bondh{#1}{f}{d}% bond between 6 and 1 \@fff -> \hskbondd etc -}% -\@tfor\member:=#2\do{% -\if\member r\relax \hbondd \hbondf \hbondb% -\else \if\member l\relax \hbonda \hbondc \hbonde% -\else \if\member a\relax \hbondc% -\else \if\member b\relax \hbondb% -\else \if\member c\relax \hbonda% -\else \if\member d\relax \hbondf% -\else \if\member e\relax \hbonde% -\else \if\member f\relax \hbondd% -\else \if\member A%left aromatic circle - \put(203,0){\circle{240}}% %circle -\else \expandafter\twoCH@@R\member//% - \set@fusionadd@sixhi -\fi\fi\fi\fi\fi\fi\fi\fi\fi}% -\set@hetatom@sixh{#3}{5}{0}{5}{-1}% %subst 1--4 -\set@hetatom@sixh{#3}{11}{4}{7}{-1}% %subst 5 and 6 -\setsixringh{#4}{5}{0}{5}{-1}% %subst 1--4 -\setsixringh{#4}{11}{4}{7}{-1}% %subst 5 and 6 -\end{picture}\iniatom\iniflag}% %end of \sixheterohi macro -\def\test@vrtx@sixhi#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa% - \or \if\@tmpb s\relax\def\ddd{}\else\def\ddd{@}\fi - \or \if\@tmpb s\relax\def\ccc{}\else\def\ccc{@}\fi - \or \if\@tmpb s\relax\def\bbb{}\else\def\bbb{@}\fi - \or \if\@tmpb s\relax\def\aaa{}\else\def\aaa{@}\fi - \or \if\@tmpb s\relax\def\fff{}\else\def\fff{@}\fi - \or \if\@tmpb s\relax\def\eee{}\else\def\eee{@}\fi -\fi\fi}% -}% end of \test@vrtx@sixhi -\def\pyridineh{\@ifnextchar[{\@pyridineh[@}{\@pyridineh[r]}}% -\def\@pyridineh[#1]#2{% -\iforigpt \typeout{command `pyridineh' % - is based on `sixheteroh'.}\fi% -\sixheteroh[#1]{1==N}{#2}}%end of \pyridineh macro -\def\pyridinehi{\@ifnextchar[{\@pyridinehi}{\@pyridinehi[r]}}% -\def\@pyridinehi[#1]#2{% -\iforigpt \typeout{command `pyridinehi' % - is based on `sixheterohi'.}\fi% -\sixheterohi[#1]{1==N}{#2}}% %end of \pyridinehi macro -\def\pyrazineh{\@ifnextchar[{\@pyrazineh[@}{\@pyrazineh[r]}}% -\def\@pyrazineh[#1]#2{% -\iforigpt \typeout{command `pyrazineh' % - is based on `sixheteroh'.}\fi% -\sixheteroh[#1]{1==N;4==N}{#2}}%end of \pyrazineh macro -\def\pyrimidineh{% - \@ifnextchar[{\@pyrimidineh[@}{\@pyrimidineh[r]}}% -\def\@pyrimidineh[#1]#2{% -\iforigpt \typeout{command `pyrimidineh' % - is based on `sixheteroh'.}\fi% -\sixheteroh[#1]{1==N;3==N}{#2}}% - %end of \pyrimidineh macro -\def\pyrimidinehi{% - \@ifnextchar[{\@pyrimidinehi[@}{\@pyrimidinehi[r]}}% -\def\@pyrimidinehi[#1]#2{% -\iforigpt \typeout{command `pyrimidinehi' % - is based on `sixheterohi'.}\fi% -\sixheterohi[#1]{1==N;3==N}{#2}}%end of \pyrimidinehi macro -\def\pyridazineh{\@ifnextchar[{\@pyridazineh[@}{\@pyridazineh[r]}}% -\def\@pyridazineh[#1]#2{% -\iforigpt \typeout{command `pyridazineh' % - is based on `sixheteroh'.}\fi% -\sixheteroh[#1]{1==N;2==N}{#2}}% - %end of \pyridazineh macro -\def\pyridazinehi{% - \@ifnextchar[{\@pyridazinehi}{\@pyridazinehi[r]}}% -\def\@pyridazinehi[#1]#2{% -\iforigpt \typeout{command `pyridazinehi' % - is based on `sixheterohi'.}\fi% -\sixheterohi[#1]{1==N;2==N}{#2}}%end of \pyridazinehi macro -\def\triazineh{\@ifnextchar[{\@triazineh[@}{\@triazineh[r]}}% -\def\@triazineh[#1]#2{% -\iforigpt \typeout{command `triazineh' % - is based on `sixheteroh'.}\fi% -\sixheteroh[#1]{1==N;3==N;5==N}{#2}}%end of \triazineh macro -\def\triazinehi{\@ifnextchar[{\@triazinehi[@}{\@triazinehi[r]}}% -\def\@triazinehi[#1]#2{% -\iforigpt \typeout{command `triazinehi' % - is based on `sixheterohi'.}\fi% -\sixheterohi[#1]{1==N;3==N;5==N}{#2}}%end of \triazinehi macro -\def\fiveheteroh{\@ifnextchar({\@five@heteroh(@}{\@five@heteroh(@)}} -\def\@five@heteroh(#1){\@ifnextchar[{\@five@@heteroh(#1)[@}% -{\@five@@heteroh(#1)[@]}} -\def\@five@@heteroh(#1)[#2]#3#4{\@ifnextchar[% -{\@fiveheteroh(#1)[#2]{#3}{#4}[@}% -{\@fiveheteroh(#1)[#2]{#3}{#4}[@]}} -\def\@fiveheteroh(#1)[#2]#3#4[#5]{% -\iniatom\iniflag%initialize -\test@vrtx@fivehi{#3}% -\@reset@ylsw% -\ylpositionh{#4}{5}{1}{5}{-1}% % for 1 to 3 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -\ylpositionh{#4}{10}{4}{7}{-1}% % for 4 to 5 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(800,880)(-240,-400)% - \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `fiveheteroh' origin: % - (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi% -\fi -{\resetbdsw% -\@bond@@omit{#5}% -\set@skel@bondh{#1}{a}{c}% bond between 1 and 2 \@aaa -> \skbondc etc -\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc -\set@skel@longbond{#1}{c}{hskbondvert}% - % bond between 3 and 4 \@ccc -> \skbondhoriz etc -\set@skel@bondh{#1}{d}{e}% bond between 4 and 5 \@ddd -> \skbonde etc -\set@skel@bondh{#1}{e}{d}% bond between 5 and 1 \@eee -> \skbondd etc -}% -\@tfor\member:=#2\do{% -\if\member r% -\else \if\member a\relax \hbondc% -\else \if\member b\relax \hbondb% -\else \if\member c\relax \hbondvert% -\else \if\member d\relax \hbonde% -\else \if\member e\relax \hbondd% -\else \if\member A%left aromatic circle - \put(233,0){\circle{180}}% %circle -\else - \expandafter\twoCH@@R\member//% - \set@fusionadd@fiveh -\fi\fi\fi\fi\fi\fi\fi}% -\put(0,0){\set@hetatom@sixh{#3}{5}{1}{5}{-1}}% % for 1 to 3 -\put(0,0){\set@hetatom@sixh{#3}{10}{4}{7}{-1}}% % for 4 to 5 -\put(0,0){\setsixringh{#4}{5}{1}{5}{-1}}% % for 1 to 3 -\put(0,0){\setsixringh{#4}{10}{4}{7}{-1}}% % for 4 to 5 -\end{picture}\iniatom\iniflag}% %end of \fiveheteroh macro -\def\test@vrtx@fivehi#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa% - \or \if\@tmpb s\relax\def\ddd{}\else\def\ddd{@}\fi - \or \if\@tmpb s\relax\def\ccc{}\else\def\ccc{@}\fi - \or \if\@tmpb s\relax\def\bbb{}\else\def\bbb{@}\fi - \or \if\@tmpb s\relax\def\fff{}\else\def\fff{@}\fi - \or \if\@tmpb s\relax\def\eee{}\else\def\eee{@}\fi - \or \if\@tmpb s\relax\def\aaa{}\else\def\aaa{@}\fi% dummy -\fi\fi}% -}% end of \test@vrtx@sixhi -\def\fiveheterohi{\@ifnextchar({\@five@heterohi(@}{\@five@heterohi(@)}} -\def\@five@heterohi(#1){\@ifnextchar[{\@five@@heterohi(#1)[@}% -{\@five@@heterohi(#1)[@]}} -\def\@five@@heterohi(#1)[#2]#3#4{\@ifnextchar[% -{\@fiveheterohi(#1)[#2]{#3}{#4}[@}% -{\@fiveheterohi(#1)[#2]{#3}{#4}[@]}} -\def\@fiveheterohi(#1)[#2]#3#4[#5]{% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{a}{b}{c}{e}{f}{d}%d--dummy -\@reset@ylsw% -\ylpositionh{#4}{0}{0}{4}{0}% % for 1 to 3 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -\ylpositionh{#4}{1}{4}{7}{0}% % for 4 to 5 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(800,880)(-240,-400)% - \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `fiveheterohi' origin: % - (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi% -\fi -{\resetbdsw% -\@bond@@omit{#5}% -\set@skel@bondh{#1}{a}{a}% bond between 1 and 2 \@aaa -> \hskbonda etc -\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc -\set@skel@longbond{#1}{c}{hskbondverti}% - % bond between 3 and 4 \@ccc -> \hskbondverti etc -\set@skel@bondh{#1}{d}{e}% bond between 4 and 5 \@ddd -> \hskbonde etc -\set@skel@bondh{#1}{e}{f}% bond between 5 and 6 \@eee -> \hskbondf etc -}% -\@tfor\member:=#2\do{% -\if\member r% -\else \if\member a\relax \hbonda% -\else \if\member b\relax \hbondb% -\else \if\member c\relax \hbondverti% -\else \if\member d\relax \hbonde% -\else \if\member e\relax \hbondf% -\else \if\member A%left aromatic circle - \put(173,0){\circle{180}}% %circle -\else - \expandafter\twoCH@@R\member//% - \set@fusionadd@fivehi -\fi\fi\fi\fi\fi\fi\fi}% -\set@hetatom@sixh{#3}{0}{0}{4}{0}% % for 1 to 3 -\set@hetatom@sixh{#3}{1}{4}{7}{0}% % for 4 to 5 -\setsixringh{#4}{0}{0}{4}{0}% % for 1 to 3 -\setsixringh{#4}{1}{4}{7}{0}% % for 4 to 5 -\end{picture}\iniatom\iniflag}% %end of \fiveheterohi macro -\def\pyrroleh{\@ifnextchar[{\@pyrroleh[@}{\@pyrroleh[bd]}}% -\def\@pyrroleh[#1]#2{% -\iforigpt \typeout{command `pyrroleh' % - is based on `fiveheteroh'.}\fi% -\fiveheteroh[#1]{1==N}{#2}}% -\def\pyrazoleh{\@ifnextchar[{\@pyrazoleh[@}{\@pyrazoleh[bd]}}% -\def\@pyrazoleh[#1]#2{% -\iforigpt \typeout{command `pyrazoleh' % - is based on `fiveheteroh'.}\fi% -\fiveheteroh[#1]{1==N;2==N}{#2}}% -\def\imidazoleh{\@ifnextchar[{\@imidazoleh[@}{\@imidazoleh[bd]}}% -\def\@imidazoleh[#1]#2{% -\iforigpt \typeout{command `imidazoleh' % - is based on `fiveheteroh'.}\fi% -\fiveheteroh[#1]{1==N;3==N}{#2}}% -\def\isoxazoleh{\@ifnextchar[{\@isoxazoleh[@}{\@isoxazoleh[bd]}}% -\def\@isoxazoleh[#1]#2{% -\iforigpt \typeout{command `isoxazoleh' % - is based on `fiveheteroh'.}\fi% -\fiveheteroh[#1]{1==O;2==N}{#2}}% -\def\oxazoleh{\@ifnextchar[{\@oxazoleh[@}{\@oxazoleh[bd]}}% -\def\@oxazoleh[#1]#2{% -\iforigpt \typeout{command `oxazoleh' % - is based on `fiveheteroh'.}\fi% -\fiveheteroh[#1]{1==O;3==N}{#2}}% -\def\furanh{\@ifnextchar[{\@furanh[@}{\@furanh[bd]}} -\def\@furanh[#1]#2{% -\iforigpt \typeout{command `furanh' % - is based on `fiveheteroh'.}\fi% -\fiveheteroh[#1]{1==O}{#2}} -\def\thiopheneh{\@ifnextchar[{\@thiopheneh[@}{\@thiopheneh[bd]}} -\def\@thiopheneh[#1]#2{% -\iforigpt \typeout{command `thiopheneh' % - is based on `fiveheteroh'.}\fi% -\fiveheteroh[#1]{1==S}{#2}} -\def\pyrrolehi{\@ifnextchar[{\@pyrrolehi[@}{\@pyrrolehi[bd]}}% -\def\@pyrrolehi[#1]#2{% -\iforigpt \typeout{command `pyrrolehi' % - is based on `fiveheterohi'.}\fi% -\fiveheterohi[#1]{1==N}{#2}}% -\def\pyrazolehi{\@ifnextchar[{\@pyrazolehi[@}{\@pyrazolehi[bd]}}% -\def\@pyrazolehi[#1]#2{% -\iforigpt \typeout{command `pyrazolehi' % - is based on `fiveheterohi'.}\fi% -\fiveheterohi[#1]{1==N;2==N}{#2}}% -\def\imidazolehi{\@ifnextchar[{\@imidazolehi[@}{\@imidazolehi[bd]}}% -\def\@imidazolehi[#1]#2{% -\iforigpt \typeout{command `imidazolehi' % - is based on `fiveheterohi'.}\fi% -\fiveheterohi[#1]{1==N;3==N}{#2}}% -\def\isoxazolehi{\@ifnextchar[{\@isoxazolehi[@}{\@isoxazolehi[bd]}}% -\def\@isoxazolehi[#1]#2{% -\iforigpt \typeout{command `isoxazolehi' % - is based on `fiveheterohi'.}\fi% -\fiveheterohi[#1]{1==O;2==N}{#2}}% -\def\oxazolehi{\@ifnextchar[{\@oxazolehi[@}{\@oxazolehi[bd]}}% -\def\@oxazolehi[#1]#2{% -\iforigpt \typeout{command `oxazolehi' % - is based on `fiveheterohi'.}\fi% -\fiveheterohi[#1]{1==O;3==N}{#2}}% -\def\furanhi{\@ifnextchar[{\@furanhi[@}{\@furanhi[bd]}} -\def\@furanhi[#1]#2{% -\iforigpt \typeout{command `furanhi' % - is based on `fiveheterohi'.}\fi% -\fiveheterohi[#1]{1==O}{#2}} -\def\thiophenehi{\@ifnextchar[{\@thiophenehi[@}{\@thiophenehi[bd]}} -\def\@thiophenehi[#1]#2{% -\iforigpt \typeout{command `thiophenehi' % - is based on `fiveheterohi'.}\fi% -\fiveheterohi[#1]{1==S}{#2}} -\def\decaheteroh{\@ifnextchar({\@deca@heteroh(@}{\@deca@heteroh(@)}} -\def\@deca@heteroh(#1){\@ifnextchar[{\@deca@@heteroh(#1)[@}% -{\@deca@@heteroh(#1)[@]}} -\def\@deca@@heteroh(#1)[#2]#3#4{\@ifnextchar[% -{\@decaheteroh(#1)[#2]{#3}{#4}[@}% -{\@decaheteroh(#1)[#2]{#3}{#4}[@]}} -\def\@decaheteroh(#1)[#2]#3#4[#5]{% -\iniflag\iniatom% -\test@vertix@sixv{#3}{a}{b}{c}{d}{e}{f}% -\test@vertix@decav{#3}{g}{h}{i}{j}{@}{@}% -\@reset@ylsw% -\ylhetpositionh{#4}{0}{0}{5}{0}% %substituents on 1 to 4 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\let\ddd=\eee\let\eee=\fff\let\fff=\ggg -\ylhetpositionh{#4}{-1}{3}{7}{0}% %substituents on 5 to 7 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{342}\fi -\else -{\let\aaa=\hhh -\ylhetpositionh{#4}{-7}{0}{2}{0}% %substituent on 8 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{342}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@iclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-8}{4}% %9 for 4a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-303}\def\@@yli{171}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@jclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-9}{10}% %10 for 8a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-103}\def\@@yli{171}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(1200,1200)(-400,-800) - \iforigpt \put(-\shiftii,-\shiftiii){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `decaheteroh' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shiftiii)}\fi% -\fi -\begingroup -\resetbdsw% -\@bond@@omit{#5}% -{\let\fff=\jjj \let\eee=\iii% -\set@skel@bondh{#1}{a}{a}% bond between 1 and 2 \@aaa -> \hskbonda etc -\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc -\set@skel@bondh{#1}{c}{c}% bond between 3 and 4 \@ccc -> \hskbondc etc -\set@skel@bondh{#1}{d}{d}% bond between 4 and 5 \@ddd -> \skbondd etc -\set@skel@bondh{#1}{k}{e}% bond between 7 and 8 \@kkk -> \skbonde etc -\set@skel@bondh{#1}{j}{f}% bond between 7 and 8 \@jjj -> \skbondf etc -}% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% -\put(0,-342){\set@skel@bondh{#1}{i}{a}}% - % bond between 8a and 8 \@iii -> \hskbonda etc -\put(0,-342){\set@skel@bondh{#1}{e}{c}}% - % bond between 4a and 5 \@eee -> \hskbondc etc -\put(0,-342){\set@skel@bondh{#1}{f}{d}}% - % bond between 5 and 6 \@fff -> \hskbondd etc -\put(0,-342){\set@skel@bondh{#1}{g}{e}}% - % bond between 6 and 7 \@ggg -> \hskbonde etc -\put(0,-342){\set@skel@bondh{#1}{h}{f}}% - % bond between 7 and 8 \@hhh -> \hskbondf etc -}% -\endgroup -\@tfor\member:=#2\do{% -\if\member r\relax% -{\let\fff=\jjj \let\eee=\iii% - \put(0,0){\hbonda}% bond between 1 and 2% - \put(0,0){\hbondc}% bond between 3 and 4% -}% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% - \put(0,-342){\hbondb}% bond between 8a and 4a - \put(0,-342){\hbondf}% bond between 8 and 7 - \put(0,-342){\hbondd}% bond between 5 and 6 -}% -\else \if\member l\relax% -\else \if\member a\relax% - \put(0,0){\hbonda}% bond between 1 and 2 -\else \if\member b\relax% - \put(0,0){\hbondb}% bond between 2 and 3 -\else \if\member c\relax% - \put(0,0){\hbondc}% bond between 3 and 4 -\else \if\member d\relax% -{\let\eee=\iii% - \put(0,0){\hbondd}% bond between 4 and 4a -}% -\else \if\member e\relax% -{\let\ccc=\iii \let\ddd=\eee% - \put(0,-342){\hbondc}% bond between 5 and 4a -}% -\else \if\member f\relax% -{\let\ddd=\eee \let\eee=\fff% - \put(0,-342){\hbondd}% bond between 5 and 6 -}% -\else \if\member g\relax% -{\let\eee=\fff \let\fff=\ggg% - \put(0,-342){\hbonde}% bond between 6 and 7 -}% -\else \if\member h\relax% -{\let\aaa=\hhh \let\fff=\ggg% - \put(0,-342){\hbondf}% bond between 8 and 7 -}% -\else \if\member i\relax% -{\let\aaa=\hhh \let\bbb=\jjj% - \put(0,-342){\hbonda}% bond between 8 and 8a -}% -\else \if\member j\relax% -{\let\fff=\jjj% - \put(0,0){\hbondf}% bond between 1 and 8a -}% -\else \if\member k\relax% -{\let\ccc=\iii\let\bbb=\jjj% - \put(0,-342){\hbondb}% bond between 8a and 4a -}% -\else \if\member K\relax% -{\let\eee=\iii\let\fff=\jjj% - \put(0,0){\hbonde}% bond between 8a and 4a in the other ring -}% -\else \if\member A%left aromatic circle - \put(203,0){\circle{240}}% %circle -\else \if\member B%left aromatic circle - \put(203,-342){\circle{240}}% %circle -\else - \expandafter\twoCH@@R\member//% - \def\aax{8a} \def\aay{4a} \def\aaz{10}% - \if\@@tmpa 4\relax% - \putratom{272}{-18}{\@@tmpb}% % right type - \else\if\@@tmpa 1\relax% - \putratom{68}{-18}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{233}{60}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{120}{60}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aaz\relax% - \putratom{120}{-110}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aax\relax% - \putratom{120}{-110}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aay\relax - \putratom{233}{-110}{\@@tmpb}% % right type - \else\if\@@tmpa 9\relax% - \putratom{233}{-110}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{272}{-360}{\@@tmpb}% % right type - \else\if\@@tmpa 8\relax% - \putratom{68}{-360}{\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putratom{233}{-452}{\@@tmpb}% % right type - \else\if\@@tmpa 7\relax% - \putratom{120}{-452}{\@@tmpb}% % right type - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \expandafter\twoCH@R\member//% - \set@fusion@decah -\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -\fi\fi\fi\fi\fi\fi}% -\iniflag -\put(0,0){\set@hetatom@sixh{#3}{0}{0}{5}{0}% - \if@aclip \global\@acliptrue\fi - \if@bclip \global\@bcliptrue\fi - \if@cclip \global\@ccliptrue\fi - \if@clip \global\@cliptrue\fi}% %substituents on 1 to 4 -\put(0,-342){\iniflag%2000/11/11 by Shinsaku Fujita - \set@hetatom@sixh{#3}{-1}{3}{7}{0}% - \@gclipfalse \if@fclip \global\@gcliptrue \fi% - \@fclipfalse \if@eclip \global\@fcliptrue \fi% - \@eclipfalse \if@clip \global\@ecliptrue \fi}%substituents on 5 to 7 -\put(0,-342){\iniflag%2000/11/11 by Shinsaku Fujita - \set@hetatom@sixh{#3}{-7}{0}{2}{0}% - \@hclipfalse \if@aclip \global\@hcliptrue \fi}%%substituent on 8 -\put(0,0){\set@vrtx@fuseh{#3}% - \if@iclip \global\@icliptrue \fi - \if@jclip \global\@jcliptrue \fi}% fused positions -\put(0,0){\setsixringh{#4}{0}{0}{5}{0}}% %substituents on 1 to 4 -{\@clipfalse \if@eclip \@cliptrue \fi% %substituents on 5 to 7 - \@eclipfalse \if@fclip \@ecliptrue \fi% - \@fclipfalse \if@gclip \@fcliptrue \fi% -\put(0,-342){\setsixringh{#4}{-1}{3}{7}{0}}% -}% -{\@aclipfalse \if@hclip \@acliptrue \fi% %substituent on 8 -\put(0,-342){\setsixringh{#4}{-7}{0}{2}{0}}% -}% -{\@clipfusefalse \if@iclip \@clipfusetrue \fi% - \put(303,-171){\setatombond{#4}{-8}{4}} %9 for 4a position -}% -{\@clipfusefalse \if@jclip \@clipfusetrue \fi% - \put(103,-171){\setatombond{#4}{-9}{10}} %10 for 8a position -}% -\end{picture}\iniatom\iniflag}% %end of \decaheteroh macro -\def\ylhetpositionh#1#2#3#4#5{% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#1\do{% -\if@@ylsw\else -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax -\expandafter\threech@r\@membera{}{}\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifnum#5<0\relax% -\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax% -\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax\fi -\ifnum\@tmpaa>#3\relax% -\ifnum\@tmpaa<#4\relax% -\ifcase\@tmpaa%0 omit - \or - \ifx\aaa\empty - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%\@ylatrue% subst. on 1 - \else - \gdef\@ylii{30}\gdef\@yli{0}\global\@ylswtrue%\@ylatrue% subst. on 1 - \fi - \or - \ifx\bbb\empty - \gdef\@ylii{-103}\gdef\@yli{-171}\global\@ylswtrue%\@ylbtrue% subst. on 2 - \else - \gdef\@ylii{-73}\gdef\@yli{-223}\global\@ylswtrue%\@ylbtrue% subst. on 2 - \fi - \or - \ifx\ccc\empty - \gdef\@ylii{-303}\gdef\@yli{-171}\global\@ylswtrue%\@ylctrue% subst. on 3 - \else - \gdef\@ylii{-333}\gdef\@yli{-223}\global\@ylswtrue%\@ylctrue% subst. on 3 - \fi - \or - \ifx\ddd\empty - \gdef\@ylii{-406}\gdef\@yli{0}\global\@ylswtrue%\@yldtrue% subst. on 4 - \else - \gdef\@ylii{-436}\gdef\@yli{0}\global\@ylswtrue%\@yldtrue% subst. on 4 - \fi - \or - \ifx\eee\empty - \gdef\@ylii{-303}\gdef\@yli{171}\global\@ylswtrue%\@yletrue% subst. on 5 - \else - \gdef\@ylii{-333}\gdef\@yli{223}\global\@ylswtrue%\@yletrue% subst. on 5 - \fi - \or - \ifx\fff\empty - \gdef\@ylii{-103}\gdef\@yli{171}\global\@ylswtrue%\@ylftrue% subst. on 6 - \else - \gdef\@ylii{-73}\gdef\@yli{223}\global\@ylswtrue%\@ylftrue% subst. on 6 - \fi -\fi%end of ifcase -\fi\fi\fi\fi\fi}}% -\def\decaheterohi{\@ifnextchar({\@deca@heterohi(@}{\@deca@heterohi(@)}} -\def\@deca@heterohi(#1){\@ifnextchar[{\@deca@@heterohi(#1)[@}% -{\@deca@@heterohi(#1)[@]}} -\def\@deca@@heterohi(#1)[#2]#3#4{\@ifnextchar[% -{\@decaheterohi(#1)[#2]{#3}{#4}[@}% -{\@decaheterohi(#1)[#2]{#3}{#4}[@]}} -\def\@decaheterohi(#1)[#2]#3#4[#5]{% -\iniflag\iniatom% -\test@vertix@decavi{#3}% -\@reset@ylsw% -\ylhetpositionh{#4}{5}{0}{5}{-1}% %substituents on 1 to 4 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\let\ddd=\eee\let\eee=\fff\let\fff=\ggg -\ylhetpositionh{#4}{12}{3}{7}{-1}% %substituents on 6 to 8 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{342}\fi -\else -{\let\aaa=\hhh -\ylhetpositionh{#4}{-4}{0}{2}{0}% %substituent on 5 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{342}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@iclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-9}{4}% %10 for 8a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-303}\def\@@yli{171}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@jclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-8}{10}% %9 for 4a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-103}\def\@@yli{171}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(1200,1200)(-400,-800)% - \iforigpt \put(-\shiftii,-\shiftiii){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `decaheterohi' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shiftiii)}\fi% -\fi -\begingroup -\resetbdsw% -\@bond@@omit{#5}% -{\let\fff=\jjj \let\eee=\iii% -\set@skel@bondh{#1}{a}{c}% bond between 1 and 2 \@aaa -> \hskbondc etc -\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc -\set@skel@bondh{#1}{c}{a}% bond between 3 and 4 \@ccc -> \hskbonda etc -\set@skel@bondh{#1}{d}{f}% bond between 4 and 4a \@ddd -> \hskbondf etc -\set@skel@bondh{#1}{k}{e}% bond between 4a and 8a \@kkk -> \hskbonde etc -\set@skel@bondh{#1}{j}{d}% bond between 8a and 1 \@jjj -> \hskbondd etc -}% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% -\put(0,-342){\set@skel@bondh{#1}{e}{a}}% - % bond between 4a and 5 \@eee -> \hskbonda etc -\put(0,-342){\set@skel@bondh{#1}{i}{c}}% - % bond between 8a and 8 \@iii -> \hskbondc etc -\put(0,-342){\set@skel@bondh{#1}{h}{d}}% - % bond between 7 and 8 \@hhh -> \hskbondd etc -\put(0,-342){\set@skel@bondh{#1}{g}{e}}% - % bond between 6 and 7 \@ggg -> \hskbonde etc -\put(0,-342){\set@skel@bondh{#1}{f}{f}}% - % bond between 5 and 6 \@fff -> \hskbondf etc -}% -\endgroup -\@tfor\member:=#2\do{% -\if\member r\relax% -{\let\fff=\jjj \let\eee=\iii% - \put(0,0){\hbonda}% bond between 1 and 2 - \put(0,0){\hbondc}% bond between 3 and 4 -}% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% - \put(0,-342){\hbondb}% bond between 8a and 4a - \put(0,-342){\hbondf}% bond between 8 and 7 - \put(0,-342){\hbondd}% bond between 5 and 6 -}% -\else \if\member l\relax% -\else \if\member a\relax% - \put(0,0){\hbondc}% bond between 3 and 4 -\else \if\member b\relax - \put(0,0){\hbondb}% bond between 2 and 3 -\else \if\member c\relax - \put(0,0){\hbonda}% bond between 1 and 2 -\else \if\member d\relax% -{\let\fff=\jjj% - \put(0,0){\hbondf}% bond between 1 and 8a -}% -\else \if\member e\relax% -{\let\aaa=\hhh \let\bbb=\jjj% - \put(0,-342){\hbonda}% bond between 8 and 8a -}% -\else \if\member f\relax% -{\let\aaa=\hhh \let\fff=\ggg% - \put(0,-342){\hbondf}% bond between 8 and 7 -}% -\else \if\member g\relax% -{\let\eee=\fff \let\fff=\ggg% - \put(0,-342){\hbonde}% bond between 6 and 7 -}% -\else \if\member h\relax% -{\let\ddd=\eee \let\eee=\fff% - \put(0,-342){\hbondd}% bond between 5 and 6 -}% -\else \if\member i\relax% -{\let\ccc=\iii \let\ddd=\eee% - \put(0,-342){\hbondc}% bond between 5 and 4a -}% -\else \if\member j\relax% -{\let\eee=\iii% - \put(0,0){\hbondd}% bond between 4 and 4a -}% -\else \if\member k\relax% -{\let\ccc=\iii\let\bbb=\jjj% - \put(0,-342){\hbondb}% bond between 8a and 4a -}% -\else \if\member K\relax% -{\let\eee=\iii\let\fff=\jjj% - \put(0,0){\hbonde}% bond between 8a and 4a -}% -\else \if\member A%left aromatic circle - \put(203,0){\circle{240}}% %circle -\else \if\member B%left aromatic circle - \put(203,-342){\circle{240}}% %circle -\else \expandafter\twoCH@@R\member//% - \def\aax{8a}\def\aay{4a}\def\aaz{10}% - \if\@@tmpa 4\relax% - \putratom{68}{-18}{\@@tmpb}% % right type - \else\if\@@tmpa 1\relax% - \putratom{272}{-18}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{120}{60}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{233}{60}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aaz\relax% - \putratom{233}{-110}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aax\relax% - \putratom{233}{-110}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aay\relax% - \putratom{120}{-110}{\@@tmpb}% % right type - \else\if\@@tmpa 9\relax% - \putratom{120}{-110}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{68}{-360}{\@@tmpb}% % right type - \else\if\@@tmpa 8\relax% - \putratom{272}{-360}{\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putratom{120}{-452}{\@@tmpb}% % right type - \else\if\@@tmpa 7\relax% - \putratom{233}{-452}{\@@tmpb}% % right type - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \expandafter\twoCH@R\member//% - \set@fusion@decahi -\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -\fi\fi\fi\fi\fi\fi}% -\iniflag -\@tmpclipfalse -\put(0,0){\set@hetatom@sixh{#3}{5}{0}{5}{-1}% - \if@aclip \global\@acliptrue\fi - \if@bclip \global\@bcliptrue\fi - \if@cclip \global\@ccliptrue\fi - \if@clip \global\@cliptrue\fi -}% %substituents on 1 to 4 -\put(0,-342){\iniflag%2000/11/11 by Shinsaku Fujita - \set@hetatom@sixh{#3}{12}{3}{7}{-1}% - \@gclipfalse \if@fclip \global\@gcliptrue \fi% - \@fclipfalse \if@eclip \global\@fcliptrue \fi% - \@eclipfalse \if@clip \global\@ecliptrue \fi% -}%substituents on 6 to 8 -\put(0,-342){\set@hetatom@sixh{#3}{-4}{0}{2}{0}% - \@aclipfalse \if@aclip \global\@hcliptrue \fi% -}%%substituent on 5 -\put(0,0){\set@vrtx@decafusehi{#3}% - \@tmpclipfalse - \if@iclip \global\@tmpcliptrue \fi - \if@jclip \global\@icliptrue \fi - \if@tmpclip \global\@jcliptrue \fi -}% fused positions -\put(0,0){\setsixringh{#4}{5}{0}{5}{-1}}% %substituents on 1 to 4 -{\@clipfalse \if@eclip \@cliptrue \fi% %substituents on 6 to 8 - \@eclipfalse \if@fclip \@ecliptrue \fi% - \@fclipfalse \if@gclip \@fcliptrue \fi% -\put(0,-342){\setsixringh{#4}{12}{3}{7}{-1}}% -}% -{\@aclipfalse \if@hclip \@acliptrue \fi% %substituent on 5 -\put(0,-342){\setsixringh{#4}{-4}{0}{2}{0}}% -}% -{\@clipfusefalse \if@iclip \@clipfusetrue \fi% - \put(303,-171){\setatombond{#4}{-9}{4}}% %10 for 8a position -}% -{\@clipfusefalse \if@jclip \@clipfusetrue \fi - \put(103,-171){\setatombond{#4}{-8}{10}}% %9 for 4a position -}% -\end{picture}\iniatom\iniflag}% %end of \decaheterohi macro -\def\set@vrtx@decafusehi#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa\or\or\or - \or%%%%4 - \if\@tmpb a% - \global\@icliptrue% - \putlatom{135}{-211}{\@memberb}% % left type - \else\if\@tmpb h% - \XyMTeXWarning{Forbidden fused position `4a' or `9'}% - \else\if\@tmpb s% - \XyMTeXWarning{Forbidden fused position `4a' or `9'}% - \else\ifx\@tmpb\empty\relax - \else - \XyMTeXWarning{Forbidden fused position `4a' or `9'}% - \fi\fi\fi\fi - \or\or\or - \or%8 - \if\@tmpb a% - \global\@jcliptrue% - \putratom{273}{-211}{\@memberb}% % right type - \else\if\@tmpb h% - \XyMTeXWarning{Forbidden fused position `8a' or `10'}% - \else\if\@tmpb s% - \XyMTeXWarning{Forbidden fused position `8a' or `10'}% - \else\ifx\@tmpb\empty\relax - \else - \XyMTeXWarning{Forbidden fused position `8a' or `10'}% - \fi\fi\fi\fi -\or%9 (= 4a) - \ifx\@tmpb\empty% - \global\@icliptrue% - \putlatom{135}{-211}{\@memberb}% % left type - \else - \XyMTeXWarning{Forbidden fused position `4a' or `9'}% - \fi -\or%10 (= 8a) - \ifx\@tmpb\empty% - \global\@jcliptrue% - \putratom{273}{-211}{\@memberb}% % right type - \else - \XyMTeXWarning{Forbidden fused position `8a' or `10'}% - \fi -\fi\fi}% -}% end of the macro \set@vrtx@decafusehi -\def\set@fusion@decahi{% - \let\@@tmpa=\@tmpa - \let\@@tmpb=\@tmpb - \if\@tmpa a% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixhi}% - \else\if\@tmpa A% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixhi}% - \else\if\@tmpa b% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixhi}% - \else\if\@tmpa B% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixhi}% - \else\if\@tmpa c% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixhi}% - \else\if\@tmpa C% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixhi}% - \else\if\@tmpa d% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixhi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `d'}% - \fi - \else\if\@tmpa D% - \let\@@tmpa=\@tmpa - \put(0,0){\set@fusionadd@sixhi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `D'}% - \fi - \else\if\@tmpa e% - \edef\@@tmpa{c}% - \put(0,-342){\set@fusionadd@sixhi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `e'}% - \fi - \else\if\@tmpa E% - \edef\@@tmpa{C}% - \put(0,-342){\set@fusionadd@sixhi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `E'}% - \fi - \else\if\@tmpa f% - \edef\@@tmpa{d}% - \put(0,-342){\set@fusionadd@sixhi}% - \else\if\@tmpa F% - \edef\@@tmpa{D}% - \put(0,-342){\set@fusionadd@sixhi}% - \else\if\@tmpa g% - \edef\@@tmpa{e}% - \put(0,-342){\set@fusionadd@sixhi}% - \else\if\@tmpa G% - \edef\@@tmpa{E}% - \put(0,-342){\set@fusionadd@sixhi}% - \else\if\@tmpa h% - \edef\@@tmpa{f}% - \put(0,-342){\set@fusionadd@sixhi}% - \else\if\@tmpa H% - \edef\@@tmpa{F}% - \put(0,-342){\set@fusionadd@sixhi}% - \else\if\@tmpa i% - \edef\@@tmpa{a}% - \put(0,-342){\set@fusionadd@sixhi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `i'}% - \fi - \else\if\@tmpa I% - \edef\@@tmpa{A}% - \put(0,-342){\set@fusionadd@sixhi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `I'}% - \fi - \else\if\@tmpa j% - \edef\@@tmpa{f}% - \put(0,0){\set@fusionadd@sixhi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `j'}% - \fi - \else\if\@tmpa J% - \edef\@@tmpa{F}% - \put(0,0){\set@fusionadd@sixhi}% - \if@smallringsw\else - \XyMTeXWarning{Unfavorable Fusion for bond `J'}% - \fi - \else\if\@tmpa k% - \edef\@@tmpa{e}% - \put(0,0){\set@fusionadd@sixhi}% - \if@smallringsw\else - \XyMTeXWarning{Forbidden Fusion for bond `k'}% - \fi - \else\if\@tmpa K% - \edef\@@tmpa{E}% - \put(0,0){\set@fusionadd@sixhi}% - \if@smallringsw\else - \XyMTeXWarning{Forbidden Fusion for bond `K'}% - \fi - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@decahi -\def\quinolineh{% - \@ifnextchar[{\@quinolineh[@}{\@quinolineh[acfhk]}}% -\def\@quinolineh[#1]#2{% -\iforigpt \typeout{command `quinolineh' % - is based on `decaheteroh'.}\fi% -\decaheteroh[#1]{1==N}{#2}}% -\def\quinolinehi{% - \@ifnextchar[{\@quinolinehi[@}{\@quinolinehi[acfhk]}}% -\def\@quinolinehi[#1]#2{% -\iforigpt \typeout{command `quinolinehi' % - is based on `decaheterohi'.}\fi% -\decaheterohi[#1]{1==N}{#2}}% -\def\isoquinolineh{% - \@ifnextchar[{\@isoquinolineh[@}{\@isoquinolineh[acfhk]}}% -\def\@isoquinolineh[#1]#2{% -\iforigpt \typeout{command `isoquinolineh' % - is based on `decaheteroh'.}\fi% -\decaheteroh[#1]{2==N}{#2}}% -\def\isoquinolinehi{% - \@ifnextchar[{\@isoquinolinehi[@}{\@isoquinolinehi[acfhk]}}% -\def\@isoquinolinehi[#1]#2{% -\iforigpt \typeout{command `isoquinolinehi' % - is based on `decaheterohi'.}\fi% -\decaheterohi[#1]{2==N}{#2}}% -\def\quinoxalineh{% - \@ifnextchar[{\@quinoxalineh[@}{\@quinoxalineh[acfhk]}}% -\def\@quinoxalineh[#1]#2{% -\iforigpt \typeout{command `quinoxalineh' % - is based on `decaheteroh'.}\fi% -\decaheteroh[#1]{1==N;4==N}{#2}}% -\def\quinazolineh{% - \@ifnextchar[{\@quinazolineh[@}{\@quinazolineh[acfhk]}}% -\def\@quinazolineh[#1]#2{% -\iforigpt \typeout{command `quinazolineh' % - is based on `decaheteroh'.}\fi% -\decaheteroh[#1]{1==N;3==N}{#2}}% -\def\quinazolinehi{% - \@ifnextchar[{\@quinazolinehi[@}{\@quinazolinehi[acfhk]}}% -\def\@quinazolinehi[#1]#2{% -\iforigpt \typeout{command `quinazolinehi' % - is based on `decaheterohi'.}\fi% -\decaheterohi[#1]{1==N;3==N}{#2}}% -\def\cinnolineh{% - \@ifnextchar[{\@cinnolineh[@}{\@cinnolineh[acfhk]}}% -\def\@cinnolineh[#1]#2{% -\iforigpt \typeout{command `cinnolineh' % - is based on `decaheteroh'.}\fi% -\decaheteroh[#1]{1==N;2==N}{#2}}% -\def\cinnolinehi{% - \@ifnextchar[{\@cinnolinehi[@}{\@cinnolinehi[acfhk]}}% -\def\@cinnolinehi[#1]#2{% -\iforigpt \typeout{command `cinnolinehi' % - is based on `decaheterohi'.}\fi% -\decaheterohi[#1]{1==N;2==N}{#2}}% -\def\pteridineh{% - \@ifnextchar[{\@pteridineh[@}{\@pteridineh[acfhk]}}% -\def\@pteridineh[#1]#2{% -\iforigpt \typeout{command `pteridineh' % - is based on `decaheteroh'.}\fi% -\decaheteroh[#1]{1==N;3==N;5==N;8==N}{#2}}% -\def\pteridinehi{% - \@ifnextchar[{\@pteridinehi[@}{\@pteridinehi[acfhk]}}% -\def\@pteridinehi[#1]#2{% -\iforigpt \typeout{command `pteridinehi' % - is based on `decaheterohi'.}\fi% -\decaheterohi[#1]{1==N;3==N;5==N;8==N}{#2}}% -\def\nonaheteroh{\@ifnextchar({\@nona@heteroh(@}{\@nona@heteroh(@)}} -\def\@nona@heteroh(#1){\@ifnextchar[{\@nona@@heteroh(#1)[@}% -{\@nona@@heteroh(#1)[@]}} -\def\@nona@@heteroh(#1)[#2]#3#4{\@ifnextchar[% -{\@nonaheteroh(#1)[#2]{#3}{#4}[@}% -{\@nonaheteroh(#1)[#2]{#3}{#4}[@]}} -\def\@nonaheteroh(#1)[#2]#3#4[#5]{% -\iniflag\iniatom% -\test@vertix@nonav{#3}% -\@reset@ylsw% -\ylpositionh{#4}{5}{1}{5}{-1}% %substituents on 1 to 3 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\let\ddd=\eee\let\eee=\fff\let\fff=\ggg -\ylpositionh{#4}{11}{3}{7}{-1}% %substituents on 5 to 7 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{342}\fi -\else -{\let\aaa=\hhh -\ylpositionh{#4}{-3}{0}{2}{0}%%substituent on 4 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{342}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@iclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-8}{4}% %9 for 7a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-303}\def\@@yli{171}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@jclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-7}{10}% %8 for 3a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-103}\def\@@yli{171}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(1200,1200)(-400,-800)% - \iforigpt \put(-\shiftii,-\shiftiii){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `nonahetero' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shiftiii)}\fi% -\fi -\begingroup -\resetbdsw% -\@bond@@omit{#5}% -{\let\fff=\jjj \let\eee=\iii% -\set@skel@bondh{#1}{a}{c}% bond between 1 and 2 \@aaa -> \hskbondc etc -\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc -\set@skel@longbond{#1}{c}{hskbondvert}% - % bond between 3 and 3a \@ccc -> \hskbondhoriz etc -\set@skel@bondh{#1}{j}{e}% bond between 3a and 7a \@jjj -> \hskbonde etc -\set@skel@bondh{#1}{i}{d}% bond between 7a and 1 \@iii -> \hskbondd etc -}% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg - \let\ccc=\iii\let\bbb=\jjj% -\put(0,-342){\set@skel@bondh{#1}{d}{a}}% - % bond between 3a and 4 \@ddd -> \hskbonda etc -\put(0,-342){\set@skel@bondh{#1}{h}{c}}% - % bond between 7a and 7 \@hhh -> \hskbondc etc -\put(0,-342){\set@skel@bondh{#1}{g}{d}}% - % bond between 6 and 7 \@ggg -> \hskbondd etc -\put(0,-342){\set@skel@bondh{#1}{f}{e}}% - % bond between 5 and 6 \@fff -> \hskbonde etc -\put(0,-342){\set@skel@bondh{#1}{e}{f}}% - % bond between 4 and 5 \@eee -> \hskbondf etc -}% -\endgroup -\@tfor\member:=#2\do{% -\if\member r\relax% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% - \put(0,-342){\hbondb}% bond between 3a and 7a - \put(0,-342){\hbondf}% bond between 4 and 5 - \put(0,-342){\hbondd}% bond between 6 and 7 -}% -\else \if\member l\relax% -\else \if\member a\relax% - \put(0,0){\hbondc}% bond between 3 and 4 -\else \if\member b\relax% - \put(0,0){\hbondb}% bond between 2 and 3 -\else \if\member c\relax% - \put(0,0){\hbondvert}% bond between 3 and 3a -\else \if\member d\relax% -{\let\aaa=\hhh \let\bbb=\jjj% - \put(0,-342){\hbonda}% bond between 4 and 3a -}% -\else \if\member e\relax% -{\let\aaa=\hhh \let\fff=\ggg% - \put(0,-342){\hbondf}% bond between 4 and 5 -}% -\else \if\member f\relax% -{\let\eee=\fff \let\fff=\ggg% - \put(0,-342){\hbonde}% bond between 5 and 6 -}% -\else \if\member g\relax% -{\let\ddd=\eee \let\eee=\fff% - \put(0,-342){\hbondd}% bond between 6 and 7 -}% -\else \if\member h\relax% -{\let\ccc=\iii \let\ddd=\eee% - \put(0,-342){\hbondc}% bond between 7 and 7a -}% -\else \if\member i\relax% -{\let\eee=\iii% - \put(0,0){\hbondd}% bond between 1 and 7a -}% -\else \if\member j\relax% -{\let\ccc=\iii\let\bbb=\jjj% - \put(0,-342){\hbondb}% bond between 7a and 3a -}% -\else \if\member J\relax% -{\let\eee=\iii\let\fff=\jjj% - \put(0,0){\hbonde}% bond between 7a and 3a -}% -\else \if\member B%left aromatic circle - \put(233,0){\circle{180}}% %circle (five-membered) -\else \if\member A%left aromatic circle - \put(203,-342){\circle{240}}% %circle (six-membered) -\else - \expandafter\twoCH@@R\member//% - \def\aax{3a} \def\aay{7a}% - \if\@@tmpa 1\relax% - \putratom{272}{-18}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{233}{60}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{120}{60}{\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{68}{-360}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{120}{-452}{\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putratom{233}{-452}{\@@tmpb}% % right type - \else\if\@@tmpa 7\relax% - \putratom{272}{-360}{\@@tmpb}% % right type - \else\if\@@tmpa 8\relax% - \putratom{120}{-110}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aax\relax% - \putratom{120}{-110}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aay\relax% - \putratom{233}{-110}{\@@tmpb}% % right type - \else\if\@@tmpa 9\relax% - \putratom{233}{-110}{\@@tmpb}% % right type - \else\if\@@tmpa 0\relax% - \putratom{196}{-30}{\@@tmpb}% % right type - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \expandafter\twoCH@R\member//% - \set@fusion@nonah -\fi\fi\fi\fi\fi\fi\fi\fi\fi% -\fi\fi\fi\fi\fi\fi}% -\iniflag -\@tmpclipfalse -\put(0,0){\set@hetatom@sixh{#3}{5}{1}{5}{-1}% - \if@aclip \global\@acliptrue\fi - \if@bclip \global\@bcliptrue\fi - \if@cclip \global\@ccliptrue\fi -}% %substituents on 1 to 3 -\put(0,-342){\set@hetatom@sixh{#3}{11}{3}{7}{-1}% - \@gclipfalse \if@fclip \global\@gcliptrue \fi% - \@fclipfalse \if@eclip \global\@fcliptrue \fi% - \@eclipfalse \if@clip \global\@ecliptrue \fi% -}%substituents on 5 to 7 -\put(0,-342){\set@hetatom@sixh{#3}{-3}{0}{2}{0}% - \@aclipfalse \if@aclip \global\@hcliptrue \fi% -}%%substituent on 4 -\put(0,0){\set@vrtx@nonafuseh{#3}% - \@tmpclipfalse - \if@iclip \global\@tmpcliptrue \fi - \if@jclip \global\@icliptrue \fi - \if@tmpclip \global\@jcliptrue \fi -}% fused positions -\put(0,0){\setsixringh{#4}{5}{1}{5}{-1}}% %substituents on 1 to 3 -{\@clipfalse \if@eclip \@cliptrue \fi% %substituents on 5 to 7 - \@eclipfalse \if@fclip \@ecliptrue \fi% - \@fclipfalse \if@gclip \@fcliptrue \fi% -\put(0,-342){\setsixringh{#4}{11}{3}{7}{-1}}% -}% -{\@aclipfalse \if@hclip \@acliptrue \fi% %substituent on 4 -\put(0,-342){\setsixringh{#4}{-3}{0}{2}{0}}% -}% -{\@clipfusefalse \if@iclip \@clipfusetrue \fi% - \put(303,-171){\setatombond{#4}{-8}{4}}% %9 for 7a position -}% -{\@clipfusefalse \if@jclip \@clipfusetrue \fi% - \put(103,-171){\setatombond{#4}{-7}{10}}% %8 for 3a position -}% -\end{picture}\iniatom\iniflag}% %end of \nonaheteroh macro -\def\set@vrtx@nonafuseh#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa\or\or - \or%%%%3 - \if\@tmpb a% - \global\@icliptrue% - \putlatom{135}{-211}{\@memberb}% % left type - \else\if\@tmpb h% - \XyMTeXWarning{Forbidden fused position `3a' or `8'}% - \else\if\@tmpb s% - \XyMTeXWarning{Forbidden fused position `3a' or `8'}% - \else\ifx\@tmpb\empty\relax - \else - \XyMTeXWarning{Forbidden fused position `3a' or `8'}% - \fi\fi\fi\fi - \or\or\or - \or%7 - \if\@tmpb a% - \global\@jcliptrue% - \putratom{273}{-211}{\@memberb}% % right type - \else\if\@tmpb h% - \XyMTeXWarning{Forbidden fused position `7a' or `9'}% - \else\if\@tmpb s% - \XyMTeXWarning{Forbidden fused position `7a' or `9'}% - \else\ifx\@tmpb\empty\relax - \else - \XyMTeXWarning{Forbidden fused position `7a' or `9'}% - \fi\fi\fi\fi -\or%8 (= 3a) - \ifx\@tmpb\empty% - \global\@icliptrue% - \putlatom{135}{-211}{\@memberb}% % left type - \else - \XyMTeXWarning{Forbidden fused position `3a' or `8'}% - \fi -\or%9 (= 7a) - \ifx\@tmpb\empty% - \global\@jcliptrue% - \putratom{273}{-211}{\@memberb}% % right type - \else - \XyMTeXWarning{Forbidden fused position `7a' or `9'}% - \fi -\fi\fi}% -}% end of the macro \set@vrtx@nonafuseh -\def\nonaheterohi{\@ifnextchar({\@nona@heterohi(@}{\@nona@heterohi(@)}} -\def\@nona@heterohi(#1){\@ifnextchar[{\@nona@@heterohi(#1)[@}% -{\@nona@@heterohi(#1)[@]}} -\def\@nona@@heterohi(#1)[#2]#3#4{\@ifnextchar[% -{\@nonaheterohi(#1)[#2]{#3}{#4}[@}% -{\@nonaheterohi(#1)[#2]{#3}{#4}[@]}} -\def\@nonaheterohi(#1)[#2]#3#4[#5]{% -\iniflag\iniatom%initialize -\test@vertix@nonavi{#3}% -\@reset@ylsw% -\ylpositionh{#4}{0}{0}{4}{0}% %substituents on 1 to 3 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\let\ddd=\eee\let\eee=\fff\let\fff=\ggg -\ylpositionh{#4}{0}{3}{7}{0}%%substituents on 4 to 6 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{342}\fi -\else -{\let\aaa=\hhh -\ylpositionh{#4}{-6}{0}{2}{0}%%substituent on 7 -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{342}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@iclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-7}{4}% %8 for 3a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-303}\def\@@yli{171}\fi -\else -{% -\clipdetection% -\@clipfusefalse \if@jclip \@clipfusetrue \fi% -\ylatombondposition{#4}{-8}{10}%%9 for 7a position -}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-103}\def\@@yli{171}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else - \begin{picture}(1200,1200)(-400,-800)% - \iforigpt \put(-\shiftii,-\shiftiii){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `nonaheterohi' origin: % - (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shiftiii)}\fi% -\fi -\begingroup -\resetbdsw% -\@bond@@omit{#5}% -{\let\fff=\jjj \let\eee=\iii% -\set@skel@bondh{#1}{a}{a}% bond between 1 and 2 \@aaa -> \hskbonda etc -\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc -\set@skel@longbond{#1}{c}{hskbondverti}% - % bond between 3 and 3a \@ccc -> \hskbondverti etc -\set@skel@bondh{#1}{j}{e}% bond between 3a and 7a \@jjj -> \hskbonde etc -\set@skel@bondh{#1}{i}{f}% bond between 7a and 1 \@iii -> \hskbondf etc -}% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% -\put(0,-342){\set@skel@bondh{#1}{h}{a}}% - % bond between 7a and 7 \@hhh -> \hskbonda etc -\put(0,-342){\set@skel@bondh{#1}{d}{c}}% - % bond between 3a and 4 \@ddd -> \hskbondc etc -\put(0,-342){\set@skel@bondh{#1}{e}{d}}% - % bond between 4 and 5 \@eee -> \hskbondd etc -\put(0,-342){\set@skel@bondh{#1}{f}{e}}% - % bond between 5 and 6 \@fff -> \hskbonde etc -\put(0,-342){\set@skel@bondh{#1}{g}{f}}% - % bond between 6 and 7 \@ggg -> \hskbondf etc -}% -\endgroup -\@tfor\member:=#2\do{% -\if\member r\relax% -{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg% - \let\ccc=\iii\let\bbb=\jjj% - \put(0,-342){\hbondb}% bond between 3a and 7a - \put(0,-342){\hbondf}% bond between 6 and 7 - \put(0,-342){\hbondd}% bond between 4 and 5 -}% -\else \if\member l\relax% -\else \if\member a\relax% - \put(0,0){\hbonda}% bond between 1 and 2 -\else \if\member b\relax% - \put(0,0){\hbondb}% bond between 2 and 3 -\else \if\member c\relax% - \put(0,0){\hbondverti}% bond between 3 and 3a -\else \if\member d\relax% -{\let\ccc=\iii \let\ddd=\eee% - \put(0,-342){\hbondc}% bond between 4 and 3a -}% -\else \if\member e\relax% -{\let\ddd=\eee\let\eee=\fff% - \put(0,-342){\hbondd}% bond between 4 and 5 -}% -\else \if\member f\relax% -{\let\eee=\fff \let\fff=\ggg% - \put(0,-342){\hbonde}% bond between 5 and 6 -}% -\else \if\member g\relax% -{\let\aaa=\hhh \let\fff=\ggg% - \put(0,-342){\hbondf}% bond between 7 and 6 -}% -\else \if\member h\relax% -{\let\aaa=\hhh \let\bbb=\jjj% - \put(0,-342){\hbonda}% bond between 7 and 7a -}% -\else \if\member i\relax% -{\let\fff=\jjj% - \put(0,0){\hbondf}% bond between 1 and 7a -}% -\else \if\member j\relax% -{\let\ccc=\iii\let\bbb=\jjj% - \put(0,-342){\hbondb}% bond between 7a and 3a -}% -\else \if\member J\relax% -{\let\eee=\iii\let\fff=\jjj% - \put(0,0){\hbonde}% bond between 7a and 3a -}% -\else \if\member B%aromatic circle - \put(173,0){\circle{180}}% %circle (five-membered) -\else \if\member A%aromatic circle - \put(203,-342){\circle{240}}% %circle (six-membered) -\else - \expandafter\twoCH@@R\member//% - \def\aax{7a} \def\aay{3a}% - \if\@@tmpa 1\relax% - \putratom{68}{-18}{\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{233}{60}{\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{120}{60}{\@@tmpb}% % right type - \else\if\@@tmpa 7\relax% - \putratom{68}{-360}{\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putratom{120}{-452}{\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{233}{-452}{\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{272}{-360}{\@@tmpb}% % right type - \else\if\@@tmpa 9\relax% - \putratom{120}{-110}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aax\relax% - \putratom{120}{-110}{\@@tmpb}% % right type - \else\ifx\@@tmpa\aay\relax% - \putratom{233}{-110}{\@@tmpb}% % right type - \else\if\@@tmpa 8\relax% - \putratom{233}{-110}{\@@tmpb}% % right type - \else\if\@@tmpa 0\relax% - \putratom{140}{-30}{\@@tmpb}% % right type - \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi% - \expandafter\twoCH@R\member//% - \set@fusion@nonahi -\fi\fi\fi\fi\fi\fi\fi\fi\fi% -\fi\fi\fi\fi\fi\fi}% -\iniflag -\put(0,0){\set@hetatom@sixh{#3}{0}{0}{4}{0}% - \if@aclip \global\@acliptrue\fi - \if@bclip \global\@bcliptrue\fi - \if@cclip \global\@ccliptrue\fi -}% %substituents on 1 to 3 -\put(0,-342){\set@hetatom@sixh{#3}{0}{3}{7}{0}% - \@gclipfalse \if@fclip \global\@gcliptrue \fi% - \@fclipfalse \if@eclip \global\@fcliptrue \fi% - \@eclipfalse \if@clip \global\@ecliptrue \fi}%substituents on 4 to 6 -\put(0,-342){\set@hetatom@sixh{#3}{-6}{0}{2}{0}% - \@hclipfalse \if@aclip \global\@hcliptrue \fi}%%substituent on 7 -\put(0,0){\set@vrtx@nonafusehi{#3}% - \if@iclip \global\@icliptrue \fi - \if@jclip \global\@jcliptrue \fi}% fused positions -\put(0,0){\setsixringh{#4}{0}{0}{4}{0}}% %substituents on 1 to 3 -{\@clipfalse \if@eclip \@cliptrue \fi% %substituents on 4 to 6 - \@eclipfalse \if@fclip \@ecliptrue \fi% - \@fclipfalse \if@gclip \@fcliptrue \fi% -\put(0,-342){\setsixringh{#4}{0}{3}{7}{0}}% -}% -{\@aclipfalse \if@hclip \@acliptrue \fi% %substituent on 7 -\put(0,-342){\setsixringh{#4}{-6}{0}{2}{0}}% -}% -{\@clipfusefalse \if@iclip \@clipfusetrue \fi% - \put(303,-171){\setatombond{#4}{-7}{4}}% %8 for 3a position -}% -{\@clipfusefalse \if@jclip \@clipfusetrue \fi% - \put(103,-171){\setatombond{#4}{-8}{10}}%%9 for 7a position -}% -\end{picture}\iniatom\iniflag}% %end of \nonaheterohi macro -\def\set@vrtx@nonafusehi#1{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoCH@R\@membera//% -\ifcase\@tmpa% - \or - \or - \or%%%%3 - \if\@tmpb a% - \global\@icliptrue% - \putratom{273}{-211}{\@memberb}% % right type - \else\relax - \fi - \or%4 - \or%5 - \or%6 - \or%7 - \if\@tmpb a% - \global\@jcliptrue% - \putlatom{135}{-211}{\@memberb}% % left type - \else\relax - \fi -\or%8 (= 3a) - \ifx\@tmpb\empty - \global\@icliptrue% - \putratom{273}{-211}{\@memberb}% % right type - \else - \XyMTeXWarning{Forbidden spiro ring for the 3a position}% - \fi -\or%9 (= 7a) - \ifx\@tmpb\empty - \global\@jcliptrue% - \putlatom{135}{-211}{\@memberb}% % left type - \else - \XyMTeXWarning{Forbidden spiro ring for the 7a position}% - \fi -\fi\fi}% -}% end of the macro \set@vrtx@nonafusehi -\def\purineh{\@ifnextchar[{\@purineh[@}{\@purineh[ra]}}% -\def\@purineh[#1]#2{% -\iforigpt \typeout{command `purineh' % - is based on `nonaheteroh'.}\fi% -\nonaheteroh[#1]{1==N;3==N;5==N;7==N}{#2}}% -\def\purinehi{\@ifnextchar[{\@purinehi[@}{\@purinehi[ra]}}% -\def\@purinehi[#1]#2{% -\iforigpt \typeout{command `purinehi' % - is based on `nonaheterohi'.}\fi% -\nonaheterohi[#1]{1==N;3==N;5==N;7==N}{#2}}% -\def\indoleh{\@ifnextchar[{\@indoleh[@}{\@indoleh[rb]}}% -\def\@indoleh[#1]#2{% -\iforigpt \typeout{command `indoleh' % - is based on `nonaheteroh'.}\fi% -\nonaheteroh[#1]{1==N}{#2}}% -\def\indolehi{\@ifnextchar[{\@indolehi[@}{\@indolehi[rb]}}% -\def\@indolehi[#1]#2{% -\iforigpt \typeout{command `indolehi' % - is based on `nonaheterohi'.}\fi% -\nonaheterohi[#1]{1==N}{#2}}% -\def\indolizineh{% - \@ifnextchar[{\@indolizineh[@}{\@indolizineh[aceg]}}% -\def\@indolizineh[#1]#2{% -\iforigpt \typeout{command `indolizineh' % - is based on `nonaheteroh'.}\fi% -\nonaheteroh[#1]{7a==N}{#2}}% -\def\indolizinehi{% - \@ifnextchar[{\@indolizinehi[@}{\@indolizinehi[aceg]}}% -\def\@indolizinehi[#1]#2{% -\iforigpt \typeout{command `indolizinehi' % - is based on `nonaheterohi'.}\fi% -\nonaheterohi[#1]{7a==N}{#2}}% -\def\isoindoleh{% - \@ifnextchar[{\@isoindoleh[@}{\@isoindoleh[cegi]}}% -\def\@isoindoleh[#1]#2{% -\iforigpt \typeout{command `isoindoleh' % - is based on `nonaheteroh'.}\fi% -\nonaheteroh[#1]{2==N}{#2}}% -\def\isoindolehi{% - \@ifnextchar[{\@isoindolehi[@}{\@isoindolehi[cegi]}}% -\def\@isoindolehi[#1]#2{% -\iforigpt \typeout{command `isoindolehi' % - is based on `nonaheterohi'.}\fi% -\nonaheterohi[#1]{2==N}{#2}}% -\def\benzofuraneh{% - \@ifnextchar[{\@benzofuraneh[@}{\@benzofuraneh[rb]}}% -\def\@benzofuraneh[#1]#2{% -\iforigpt \typeout{command `benzofuraneh' % - is based on `nonaheteroh'.}\fi% -\nonaheteroh[#1]{1==O}{#2}}% -\def\benzofuranehi{% - \@ifnextchar[{\@benzofuranehi[@}{\@benzofuranehi[rb]}}% -\def\@benzofuranehi[#1]#2{% -\iforigpt \typeout{command `benzofuranehi' % - is based on `nonaheterohi'.}\fi% -\nonaheterohi[#1]{1==O}{#2}}% -\def\isobenzofuraneh{\@ifnextchar[{\@isobenzofuraneh[@}% - {\@isobenzofuraneh[cegi]}}% -\def\@isobenzofuraneh[#1]#2{% -\iforigpt \typeout{command `isobenzofuraneh' % - is based on `nonaheteroh'.}\fi% -\nonaheteroh[#1]{2==O}{#2}}% -\def\isobenzofuranehi{\@ifnextchar[{\@isobenzofuranehi[@}% - {\@isobenzofuranehi[cegi]}}% -\def\@isobenzofuranehi[#1]#2{% -\iforigpt \typeout{command `isobenzofuranehi' % - is based on `nonaheterohi'.}\fi% -\nonaheterohi[#1]{2==O}{#2}}% -\def\benzoxazoleh{% - \@ifnextchar[{\@benzoxazoleh[@}{\@benzoxazoleh[rb]}}% -\def\@benzoxazoleh[#1]#2{% -\iforigpt \typeout{command `benzoxazoleh' % - is based on `nonaheteroh'.}\fi% -\nonaheteroh[#1]{1==O;3==N}{#2}}% -\def\benzoxazolehi{% - \@ifnextchar[{\@benzoxazolehi[@}{\@benzoxazolehi[rb]}}% -\def\@benzoxazolehi[#1]#2{% -\iforigpt \typeout{command `benzoxazolehi' % - is based on `nonaheterohi'.}\fi% -\nonaheterohi[#1]{1==O;3==N}{#2}}% -\def\sixunith{\@ifnextchar[{\@sixunith[@}{\@sixunith[@]}} -\def\@sixunith[#1]#2#3#4{\sixheteroh[#1]{#2}{#3}[#4]} -\def\fiveunith{\@ifnextchar[{\@fiveunith[@}{\@fiveunith[r]}} -\def\@fiveunith[#1]#2#3#4{\fiveheteroh[#1]{#2}{#3}[#4]} -\def\fiveunithi{\@ifnextchar[{\@fiveunithi[@}{\@fiveunithi[r]}} -\def\@fiveunithi[#1]#2#3#4{\fiveheterohi[#1]{#2}{#3}[#4]} - -\def\threeheteroh{\@ifnextchar({\@three@heteroh(@}{\@three@heteroh(@)}} -\def\@three@heteroh(#1){\@ifnextchar[{\@three@@heteroh(#1)[@}% -{\@three@@heteroh(#1)[@]}} -\def\@three@@heteroh(#1)[#2]#3#4{\@ifnextchar[% -{\@threeheteroh(#1)[#2]{#3}{#4}[@}% -{\@threeheteroh(#1)[#2]{#3}{#4}[@]}} -\def\@threeheteroh(#1)[#2]#3#4[#5]{% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{d}{f}{b}{@}{@}{@}%tentative use for six-h -\@reset@ylsw% -\ylpositionh{#4}{3}{3}{5}{0}%subst 1 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{235}\def\@@yli{-103}\fi -\else -\ylpositionh{#4}{-1}{1}{3}{0}%subst 3 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{103}\def\@@yli{-29}\fi -\else -\ylpositionh{#4}{4}{5}{7}{0}%subst 2 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{103}\def\@@yli{-171}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(580,700)(-200,-240)% - \iforigpt \put(-200,-240){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `threeheteroh' origin: % - (0,0) ---> (200,240)}\fi% -\fi -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{c}{e}{a}{@}{@}{@}% -\test@vertix@sixv{#3}{b}{d}{f}{@}{@}{@}% -{\resetbdsw% -\@bond@@omit{#5}% -\put(0,0){\set@skel@bond{#1}{a}{c}}% - % bond between 1 and 2 \@aaa -> \skbondc etc -\put(171,-103){\set@skel@bond{#1}{b}{e}}% - % bond between 2 and 3 \@bbb -> \skbonde etc -\put(0,-200){\set@skel@bond{#1}{c}{a}}% - % bond between 3 and 1 \@ccc -> \skbonda etc -}% -\@tfor\member:=#2\do{% -\if\member r\relax% -\else\if\member a\relax\put(0,0){\bondc}% -\else\if\member b\relax\put(171,-103){\bonde}% -\else\if\member c\relax\put(0,-200){\bonda}% -\else\if\member A\relax% aromatic circle - \put(70,103){\circle{100}}% %circle -\else - \expandafter\twoCH@@R\member//% - \set@fusionadd@threeh -\fi\fi\fi\fi\fi% -}% -\iniflag -\put(-215,103){\set@hetatom@sixh{#3}{3}{3}{5}{0}% -\if@clip \global\@cliptrue\fi}%subst 1 <--six h 4 -\put(-103,29){\set@hetatom@sixh{#3}{-1}{1}{3}{0}% -\if@bclip \global\@bcliptrue\fi}%subst 3 <--six h 2 -\put(-103,171){\set@hetatom@sixh{#3}{4}{5}{7}{0}% -\if@fclip \global\@fcliptrue\fi}%subst 2 <--six h 6 -\put(-235,103){\setsixringh{#4}{3}{3}{5}{0}}%subst 1 -\put(-103,29){\setsixringh{#4}{-1}{1}{3}{0}}%subst 3 -\put(-103,171){\setsixringh{#4}{4}{5}{7}{0}}%subst 2 -\end{picture}% -\iniatom\iniflag}% %end of \threeheteroh macro -\def\set@fusionadd@threeh{% - \if\@@tmpa 0\relax% - \putratom{35}{85}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 1\relax% - \putratom{80}{85}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 2\relax% - \putratom{15}{50}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 3\relax% - \putratom{15}{120}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 4\relax% - \putratom{180}{130}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 5\relax% - \putratom{20}{-60}{\scriptsize\@@tmpb}% % right type - \else\if\@@tmpa 6\relax% - \putratom{20}{230}{\scriptsize\@@tmpb}% % right type - \else - \set@fusion@threeh - \fi\fi\fi\fi\fi\fi\fi% -}% -\def\set@fusion@threeh{% -\if\@@tmpa b\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{0}{-200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{0}{200}{\@@tmpb}% % bond fused - \FuseWarning{0}{200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \else\if\@@tmpa a\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa c\relax% - \putlratom{0}{200}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}% - \else\if\@@tmpa C\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}% -\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@threeh -\def\threeheterohi{\@ifnextchar({\@three@heterohi(@}{\@three@heterohi(@)}} -\def\@three@heterohi(#1){\@ifnextchar[{\@three@@heterohi(#1)[@}% -{\@three@@heterohi(#1)[@]}} -\def\@three@@heterohi(#1)[#2]#3#4{\@ifnextchar[% -{\@threeheterohi(#1)[#2]{#3}{#4}[@}% -{\@threeheterohi(#1)[#2]{#3}{#4}[@]}} -\def\@threeheterohi(#1)[#2]#3#4[#5]{% -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{a}{e}{c}{@}{@}{@}%tentative use for six-h -\@reset@ylsw% -\ylpositionh{#4}{0}{0}{2}{0}%subst 1 -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{171}\def\@@yli{-103}\fi -\else -\ylpositionh{#4}{0}{2}{4}{0}%subst 3 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{303}\def\@@yli{-29}\fi -\else -\ylpositionh{#4}{3}{4}{6}{0}%subst 2 -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{303}\def\@@yli{-171}\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(580,700)(-400,-240)% - \iforigpt \put(-400,-240){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `threeheterohi' origin: % - (0,0) ---> (400,240)}\fi% -\fi -\iniatom\iniflag%initialize -\test@vertix@sixv{#3}{e}{c}{a}{@}{@}{@}% -\test@vertix@sixv{#3}{f}{d}{b}{@}{@}{@}% -{\resetbdsw% -\@bond@@omit{#5}% -\put(0,0){\set@skel@bond{#1}{a}{d}}% - % bond between 1 and 2 \@aaa -> \skbondd etc -\put(-171,-103){\set@skel@bond{#1}{b}{b}}% - % bond between 2 and 3 \@bbb -> \skbondb etc -\put(0,-200){\set@skel@bond{#1}{c}{f}}% - % bond between 3 and 1 \@ccc -> \skbondf etc -}% -\@tfor\member:=#2\do{% -\if\member r\relax% -\else\if\member a\relax\put(0,0){\bondd}% -\else\if\member b\relax\put(-171,-103){\bondb}% -\else\if\member c\relax\put(0,-200){\bondf}% -\else\if\member A\relax% aromatic circle - \put(70,103){\circle{100}}% %circle -\else - \expandafter\twoCH@@R\member//% - \set@fusionadd@threehi -\fi\fi\fi\fi\fi% -}% -\iniflag -\put(-171,103){\set@hetatom@sixh{#3}{0}{0}{2}{0}% -\if@aclip \global\@acliptrue\fi}%subst 1 <--six h 1 -\put(-303,29){\set@hetatom@sixh{#3}{0}{2}{4}{0}% -\if@cclip \global\@ccliptrue\fi}%subst 3 <--six h 3 -\put(-303,171){\set@hetatom@sixh{#3}{3}{4}{6}{0}% -\if@eclip \global\@ecliptrue\fi}%subst 2 <--six h 5 -\put(-171,103){\setsixringh{#4}{0}{0}{2}{0}}%subst 1 -\put(-303,29){\setsixringh{#4}{0}{2}{4}{0}}%subst 3 -\put(-303,171){\setsixringh{#4}{3}{4}{6}{0}}%subst 2 -\end{picture}% -\iniatom\iniflag}% %end of \threeheterohi macro -\def\set@fusionadd@threehi{% - \if\@@tmpa 0\relax% - \putlatom{-35}{85}{\scriptsize\@@tmpb}% % left type - \else\if\@@tmpa 1\relax% - \putlatom{-80}{85}{\scriptsize\@@tmpb}% % left type - \else\if\@@tmpa 2\relax% - \putlatom{-15}{50}{\scriptsize\@@tmpb}% % left type - \else\if\@@tmpa 3\relax% - \putlatom{-15}{120}{\scriptsize\@@tmpb}% % left type - \else\if\@@tmpa 4\relax% - \putlatom{-180}{130}{\scriptsize\@@tmpb}% % left type - \else\if\@@tmpa 5\relax% - \putlatom{-20}{-60}{\scriptsize\@@tmpb}% % left type - \else\if\@@tmpa 6\relax% - \putlatom{-20}{230}{\scriptsize\@@tmpb}% % left type - \else - \set@fusion@threehi - \fi\fi\fi\fi\fi\fi\fi% -}% -\def\set@fusion@threehi{% -\if\@@tmpa b\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{0}{-200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{0}{200}{\@@tmpb}% % bond fused - \FuseWarning{0}{200}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \else\if\@@tmpa a\relax% - \putlratom{-171}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa c\relax% - \putlratom{0}{200}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}% - \else\if\@@tmpa C\relax% - \putlratom{-171}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}% -\fi\fi\fi\fi\fi\fi% -}% end of the macro \set@fusion@threehi -\endinput -%% -%% End of file `hetaromh.sty'. diff --git a/Master/texmf-dist/tex/latex/xymtex/locant.sty b/Master/texmf-dist/tex/latex/xymtex/locant.sty deleted file mode 100644 index 211de7b8eed..00000000000 --- a/Master/texmf-dist/tex/latex/xymtex/locant.sty +++ /dev/null @@ -1,107 +0,0 @@ -%% -%% This is file `locant.sty', -%% generated with the docstrip utility. -%% -%% The original source files were: -%% -%% locant.dtx (with options: `locant') -%% -%% This is a generated file. -%% -%% Copyright 1996 by Shinsaku Fujita -%% -%% This file is part of the XyMTeX system. -%% ======================================= -%% -%% Released on August 16, 1996 -%% -%% Copyright (C) 1996 by Shinsaku Fujita, all rights reserved. -%% This style file is created for drawing chemical structural formulas -%% This style file is to be contained in the ``xymtex'' directory which -%% is an input directory for TeX. -%% -%% Copying of this file is authorized only if either -%% -%% (1) you make absolutely no changes to your copy, including name and -%% directory name -%% (2) if you do make changes, -%% (a) you name it something other than the names included in the -%% ``xymtex'' directory and -%% (b) you acknowledge the original name. -%% This restriction ensures that all standard styles are identical. -%% -%% ======================================= -%% -%% This file contains several codes modified from latex.tex (LaTeX2.09) -%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -%% Copyright 1994 the LaTeX3 project and the individual authors (For further -%% copyright information see the file legal.txt of the LaTeX2e standard -%% distribution, and any other copyright indicated in this file.) -%% -%% File: locant.dtx -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 1.01} -\typeout{ -- Released August 16, 1996 by Shinsaku Fujita} -\def\j@urnalname{locant} -\def\versi@ndate{August 16, 1996} -\def\versi@nno{ver1.01} -\def\copyrighth@lder{SF} % Shinsaku Fujita -\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>% -\space[\copyrighth@lder]} -\def\bdloocant#1#2#3#4#5#6{% -\begin{picture}(800,880)(-\shiftii,-\shifti) -\putratom{90}{360}{#1}% -\putratom{200}{180}{#2}% -\putratom{90}{-20}{#3}% -\putlatom{-90}{360}{#6}% -\putlatom{-200}{180}{#5}% -\putlatom{-90}{-20}{#4}% -\end{picture}}% -\def\bdlocant{\bdloocant{a}{b}{c}{d}{e}{f}} -\def\sxloocant#1#2#3#4#5#6{% -\begin{picture}(800,880)(-\shiftii,-\shifti)% -\putratom{-10}{340}{\scriptsize #1}% -\putlatom{150}{260}{\scriptsize #2}% -\putlatom{150}{110}{\scriptsize #3}% -\putratom{-10}{40}{\scriptsize #4}% -\putratom{-150}{110}{\scriptsize #5}% -\putratom{-150}{260}{\scriptsize #6}% -\end{picture}}% -\def\sxlocant{\sxloocant{1}{2}{3}{4}{5}{6}} -\def\bdloocnth#1#2#3#4#5#6{% -\begin{picture}(880,800)(-\shifti,-\shiftii)% -\putlatom{10}{80}{#1}% -\putratom{180}{210}{#2}% -\putratom{380}{80}{#3}% -\putratom{380}{-120}{#4}% -\putratom{180}{-260}{#5}% -\putlatom{10}{-120}{#6}% -\end{picture}}% -\def\bdlocnth{\bdloocnth{a}{b}{c}{d}{e}{f}} -\def\sxloocnth#1#2#3#4#5#6{% -\begin{picture}(880,800)(-\shifti,-\shiftii)% -\putratom{40}{-20}{\scriptsize #1}% -\putratom{110}{100}{\scriptsize #2}% -\putlatom{290}{100}{\scriptsize #3}% -\putlatom{380}{-20}{\scriptsize #4}% -\putratom{110}{-140}{\scriptsize #6}% -\putlatom{290}{-140}{\scriptsize #5}% -\end{picture}}% -\def\sxlocnth{\sxloocnth{1}{2}{3}{4}{5}{6}} -\endinput -%% -%% End of file `locant.sty'. diff --git a/Master/texmf-dist/tex/latex/xymtex/lowcycle.sty b/Master/texmf-dist/tex/latex/xymtex/lowcycle.sty deleted file mode 100644 index 245a88800be..00000000000 --- a/Master/texmf-dist/tex/latex/xymtex/lowcycle.sty +++ /dev/null @@ -1,141 +0,0 @@ -%% -%% This is file `lowcycle.sty', -%% generated with the docstrip utility. -%% -%% The original source files were: -%% -%% lowcycle.dtx (with options: `lowcycle') -%% -%% This is a generated file. -%% -%% Copyright 1996,1998 by Shinsaku Fujita -%% -%% This file is part of the XyMTeX system. -%% ======================================= -%% -%% Version 1.01 Released on August 16, 1996 -%% Version 1.02 Released on October 31, 1996 (private version) -%% Version 2.00 Released on December 25, 1998 -%% -%% Copyright (C) 1996, 1998 by Shinsaku Fujita, all rights reserved. -%% This style file is created for drawing chemical structural formulas -%% This style file is to be contained in the ``xymtex'' directory which -%% is an input directory for TeX. -%% -%% Copying of this file is authorized only if either -%% -%% (1) you make absolutely no changes to your copy, including name and -%% directory name -%% (2) if you do make changes, -%% (a) you name it something other than the names included in the -%% ``xymtex'' directory and -%% (b) you acknowledge the original name. -%% This restriction ensures that all standard styles are identical. -%% -%% ======================================= -%% -%% This file contains several codes modified from latex.tex (LaTeX2.09) -%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -%% Copyright 1994 the LaTeX3 project and the individual authors (For further -%% copyright information see the file legal.txt of the LaTeX2e standard -%% distribution, and any other copyright indicated in this file.) -%% -%% File: lowcycle.dtx -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00} -\typeout{ -- Released December 25, 1998 by Shinsaku Fujita} -\def\j@urnalname{lowcycle} -\def\versi@ndate{December 25, 1998} -\def\versi@nno{ver2.00} -\def\copyrighth@lder{SF} % Shinsaku Fujita -\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>% -\space[\copyrighth@lder]} -\@ifundefined{setsixringv}{\input chemstr.sty\relax}{} -\@ifundefined{threehetero}{\input hetarom.sty\relax}{} -\@ifundefined{sixheteroh}{\input hetaromh.sty\relax}{} -\unitlength=0.1pt -\def\cyclopentanev{\@ifnextchar[{\@cyclopentanev[@}{\@cyclopentanev[]}} -\def\@cyclopentanev[#1]#2{% -\iforigpt \typeout{command `cyclopentanev' % - is based on `fiveheterov'.}\fi% -\fiveheterov[#1]{}{#2}} -\def\cyclopentanevi{\@ifnextchar[{\@cyclopentanevi[@}{\@cyclopentanevi[]}} -\def\@cyclopentanevi[#1]#2{% -\iforigpt \typeout{command `cyclopentanevi' % - is based on `fiveheterovi'.}\fi% -\fiveheterovi[#1]{}{#2}} -\def\cyclopentaneh{\@ifnextchar[{\@cyclopentaneh[@}{\@cyclopentaneh[]}} -\def\@cyclopentaneh[#1]#2{% -\iforigpt \typeout{command `cyclophentaneh' % - is based on `fiveheteroh'.}\fi% -\fiveheteroh[#1]{}{#2}} -\def\cyclopentanehi{% - \@ifnextchar[{\@cyclopentanehi[@}{\@cyclopentanehi[]}} -\def\@cyclopentanehi[#1]#2{% -\iforigpt \typeout{command `cyclopentanehi' % - is based on `fiveheterohi'.}\fi% -\fiveheterohi[#1]{}{#2}} -\def\indanev{\@ifnextchar[{\@indanev[@}{\@indanev[rb]}} -\def\@indanev[#1]#2{% -\iforigpt \typeout{command `indanev' % - is based on `nonaheterov'.}\fi% -\nonaheterov[#1]{}{#2}} -\def\indanevi{\@ifnextchar[{\@indanevi[@}{\@indanevi[rb]}} -\def\@indanevi[#1]#2{% -\iforigpt \typeout{command `indanevi' % - is based on `nonaheterovi'.}\fi% -\nonaheterovi[#1]{}{#2}} -\def\indaneh{\@ifnextchar[{\@indaneh[@}{\@indaneh[rb]}} -\def\@indaneh[#1]#2{% -\iforigpt \typeout{command `indaneh' % - is based on `nonaheteroh'.}\fi% -\nonaheteroh[#1]{}{#2}} -\def\indanehi{\@ifnextchar[{\@indanehi[@}{\@indanehi[rb]}} -\def\@indanehi[#1]#2{% -\iforigpt \typeout{command `indanehi' % - is based on `nonaheterohi'.}\fi% -\nonaheterohi[#1]{}{#2}} -\def\cyclobutane{\@ifnextchar[{\@cyclobutane[@}{\@cyclobutane[]}} -\def\@cyclobutane[#1]#2{% -\iforigpt \typeout{command `cyclobutane' % - is based on `fourhetero'.}\fi% -\fourhetero[#1]{}{#2}} -\def\cyclopropane{\@ifnextchar[{\@cyclopropane[@}{\@cyclopropane[]}} -\def\@cyclopropane[#1]#2{% -\iforigpt \typeout{command `cyclopropane' % - is based on `threehetero'.}\fi% -\threehetero[#1]{}{#2}} -\let\cyclopropanev=\cyclopropane -\def\cyclopropanei{\@ifnextchar[{\@cyclopropanei[@}{\@cyclopropanei[]}} -\def\@cyclopropanei[#1]#2{% -\iforigpt \typeout{command `cyclopropanei' % - is based on `threeheteroi'.}\fi% -\threeheteroi[#1]{}{#2}} -\let\cyclopropanevi=\cyclopropanei -\def\cyclopropaneh{\@ifnextchar[{\@cyclopropaneh[@}{\@cyclopropaneh[]}} -\def\@cyclopropaneh[#1]#2{% -\iforigpt \typeout{command `cyclopropaneh' % - is based on `threeheteroh'.}\fi% -\threeheteroh[#1]{}{#2}} -\def\cyclopropanehi{\@ifnextchar[{\@cyclopropanehi[@}{\@cyclopropanehi[]}} -\def\@cyclopropanehi[#1]#2{% -\iforigpt \typeout{command `cyclopropanehi' % - is based on `threeheterohi'.}\fi% -\threeheterohi[#1]{}{#2}} -\endinput -%% -%% End of file `lowcycle.sty'. diff --git a/Master/texmf-dist/tex/latex/xymtex/methylen.sty b/Master/texmf-dist/tex/latex/xymtex/methylen.sty deleted file mode 100644 index 50013fe367f..00000000000 --- a/Master/texmf-dist/tex/latex/xymtex/methylen.sty +++ /dev/null @@ -1,3075 +0,0 @@ -%% -%% This is file `methylen.sty', -%% generated with the docstrip utility. -%% -%% The original source files were: -%% -%% methylen.dtx (with options: `methylen') -%% -%% This is a generated file. -%% -%% Copyright 1998 by Shinsaku Fujita -%% -%% This file is part of the XyMTeX system. -%% ======================================= -%% -%% Version 1.02 Released on October 31, 1996 (private version) -%% Version 2.00 Released on December 25, 1998 -%% -%% Copyright (C) 1998 by Shinsaku Fujita, all rights reserved. -%% This style file is created for drawing chemical structural formulas -%% This style file is to be contained in the ``xymtex'' directory which -%% is an input directory for TeX. -%% -%% Copying of this file is authorized only if either -%% -%% (1) you make absolutely no changes to your copy, including name and -%% directory name -%% (2) if you do make changes, -%% (a) you name it something other than the names included in the -%% ``xymtex'' directory and -%% (b) you acknowledge the original name. -%% This restriction ensures that all standard styles are identical. -%% -%% ======================================= -%% -%% This file contains several codes modified from latex.tex (LaTeX2.09) -%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -%% Copyright 1994 the LaTeX3 project and the individual authors (For further -%% copyright information see the file legal.txt of the LaTeX2e standard -%% distribution, and any other copyright indicated in this file.) -%% -%% File: methylen.dtx -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00} -\typeout{ -- Released December 25, 1998 by Shinsaku Fujita} -\def\j@urnalname{methylen} -\def\versi@ndate{December 25, 1998} -\def\versi@nno{ver2.00} -\def\copyrighth@lder{SF} % Shinsaku Fujita -\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>% -\space[\copyrighth@lder]} -\@ifundefined{setsixringv}{\input chemstr.sty\relax}{} -\@ifundefined{Westbond}{\input aliphat.sty\relax}{} -\@ifundefined{bzdrv}{\input carom.sty\relax}{} -\@ifundefined{hbonde}{\input hetaromh.sty\relax}{} -\unitlength=0.1pt -\newif\if@wrongbdWa \@wrongbdWafalse -\newif\if@wrongbdWd \@wrongbdWdfalse -\newif\if@wrongbdWaL \@wrongbdWaLfalse -\newif\if@wrongbdWdL \@wrongbdWdLfalse -\def\@methsubsta{% -\if@aclip% %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(0,436){\line(0,1){110}}% % single bond at 1 - \putlratom{-31}{563}{\@memberb}% % left or right type - \else\if\@tmpc B%(B) beta - \yl@xdiff=-36\relax - \yl@ydiff=-27\relax - \putlatom{-42}{563}{\@memberb}% % left type - {% - \thicklines% - \put(-18,436){\line(-3,5){60}}% % single bond at 1 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=37\relax - \yl@ydiff=-27\relax - \putratom{41}{563}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(18,436){\line(3,5){60}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(18,436)(72,526)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-36\relax - \yl@ydiff=-27\relax - \putlatom{-42}{563}{\@memberb}% % left type - \put(-18,436){\line(-3,5){60}}% % single bond at 1 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=37\relax - \yl@ydiff=-27\relax - \putratom{41}{563}{\@memberb}% % right type - \put(18,436){\line(3,5){60}}% % single bond at 1 - \fi\fi\fi\fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \put(-12,436){\line(0,1){110}}% % double bond at 1 - \put(12,436){\line(0,1){110}}% % double bond at 1 - \else\if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,436){\line(0,1){110}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,436){\line(0,1){110}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,436)(0,546)}}% - \else\if\@tmpb W%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=46\relax - \if@wrongbdWa - \XyMTeXWarning{Wrong Bond-Modifier (W)}% - \fi - \putratom{150}{276}{\@memberb}% % left or right type - \put(40,382){\line(5,-3){100}}% % single bond at 1 - \else% - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \put(0,436){\line(0,1){110}}% % single bond at 1 - \fi\fi\fi\fi\fi% -\else% % no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(0,406){\line(0,1){140}}% % single bond at 1 - \putlratom{-31}{563}{\@memberb}% % left or right type - \else\if\@tmpc B%(B) beta - \yl@xdiff=-30\relax - \yl@ydiff=-37\relax - \putlatom{-42}{563}{\@memberb}% % left type - {% - \thicklines% - \put(0,406){\line(-3,5){72}}% % single bond at 1 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=31\relax - \yl@ydiff=-37\relax - \putratom{41}{563}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(0,406){\line(3,5){72}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,406)(72,526)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-30\relax - \yl@ydiff=-37\relax - \putlatom{-42}{563}{\@memberb}% % left type - \put(0,406){\line(-3,5){72}}% % single bond at 1 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=31\relax - \yl@ydiff=-37\relax - \putratom{41}{563}{\@memberb}% % right type - \put(0,406){\line(3,5){72}}% % single bond at 1 - \fi\fi\fi\fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \put(-12,406){\line(0,1){140}}% % double bond at 1 - \put(12,406){\line(0,1){140}}% % double bond at 1 - \else\if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,406){\line(0,1){140}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,406){\line(0,1){140}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,406)(0,546)}}% - \else\if\@tmpb W%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=58\relax - \if@wrongbdWa - \XyMTeXWarning{Wrong Bond-Modifier (W)}% - \fi - \putratom{130}{276}{\@memberb}% % left or right type - \put(0,406){\line(5,-3){120}}% % single bond at 1 - \else% - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \put(0,406){\line(0,1){140}}% % single bond at 1 - \fi\fi\fi\fi\fi% - \fi}% -\def\@methsubstd{% -\if@clip %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(0,-30){\line(0,-1){110}}% % single bond at 4 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-36\relax - \yl@ydiff=100\relax - \putlatom{-42}{-230}{\@memberb}% % left type - {% - \thicklines% - \put(-18,-30){\line(-3,-5){60}}% % single bond at 4 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=37\relax - \yl@ydiff=100\relax - \putratom{41}{-230}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(18,-30){\line(3,-5){60}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(18,-30)(72,-120)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-36\relax - \yl@ydiff=100\relax - \putlatom{-42}{-230}{\@memberb}% % left type - \put(-18,-30){\line(-3,-5){60}}% % single bond at 4 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=37\relax - \yl@ydiff=100\relax - \putratom{41}{-230}{\@memberb}% % right type - \put(18,-30){\line(3,-5){60}}% % single bond at 4 - \fi\fi\fi\fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(-12,-30){\line(0,-1){110}}% % double bond at 4 - \put(12,-30){\line(0,-1){110}}% % double bond at 4 - \else\if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,-30){\line(0,-1){110}}% % single bond at 4 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,-30){\line(0,-1){110}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(0,-30)(0,-140)}}% - \else\if\@tmpb W%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=30\relax - \putlratom{150}{54}{\@memberb}% % left or right type - \put(40,24){\line(5,3){100}}% % single bond at 4 - \if@wrongbdWd - \XyMTeXWarning{Wrong Bond-Modifier (W)}% - \fi - \else% - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(0,-30){\line(0,-1){110}}% % single bond at 4 - \fi\fi\fi\fi\fi% - \else% no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(0,0){\line(0,-1){140}}% % single bond at 4 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-30\relax - \yl@ydiff=110\relax - \putlatom{-42}{-230}{\@memberb}% % left type - {% - \thicklines% - \put(0,0){\line(-3,-5){72}}% % single bond at 4 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=31\relax - \yl@ydiff=110\relax - \putratom{41}{-230}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(0,0){\line(3,-5){72}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(0,0)(72,-120)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-30\relax - \yl@ydiff=110\relax - \putlatom{-42}{-230}{\@memberb}% % left type - \put(0,0){\line(-3,-5){72}}% % single bond at 4 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=31\relax - \yl@ydiff=110\relax - \putratom{41}{-230}{\@memberb}% % right type - \put(0,0){\line(3,-5){72}}% % single bond at 4 - \fi\fi\fi\fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(-12,0){\line(0,-1){140}}% % double bond at 4 - \put(12,0){\line(0,-1){140}}% % double bond at 4 - \else\if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,0){\line(0,-1){140}}% % single bond at 4 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,0){\line(0,-1){140}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(0,0)(0,-140)}}% - \else\if\@tmpb W%beta single bond - \yl@xdiff=-10\relax - \yl@ydiff=30\relax - \putlratom{150}{54}{\@memberb}% % left or right type - \put(0,0){\line(5,3){140}}% % single bond at 4 - \if@wrongbdWd - \XyMTeXWarning{Wrong Bond-Modifier (W)}% - \fi - \else% - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(0,0){\line(0,-1){140}}% % single bond at 4 - \fi\fi\fi\fi\fi% - \fi}% -\def\@methsubstdL{% -\if@clip %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(0,-30){\line(0,-1){110}}% % single bond at 4 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-36\relax - \yl@ydiff=100\relax - \putlatom{-42}{-230}{\@memberb}% % left type - {% - \thicklines% - \put(-18,-30){\line(-3,-5){60}}% % single bond at 4 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=37\relax - \yl@ydiff=100\relax - \putratom{41}{-230}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(18,-30){\line(3,-5){60}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(18,-30)(72,-120)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-36\relax - \yl@ydiff=100\relax - \putlatom{-42}{-230}{\@memberb}% % left type - \put(-18,-30){\line(-3,-5){60}}% % single bond at 4 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=37\relax - \yl@ydiff=100\relax - \putratom{41}{-230}{\@memberb}% % right type - \put(18,-30){\line(3,-5){60}}% % single bond at 4 - \fi\fi\fi\fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(-12,-30){\line(0,-1){110}}% % double bond at 4 - \put(12,-30){\line(0,-1){110}}% % double bond at 4 - \else\if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,-30){\line(0,-1){110}}% % single bond at 4 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,-30){\line(0,-1){110}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(0,-30)(0,-140)}}% - \else\if\@tmpb W%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=30\relax - \putlatom{-150}{54}{\@memberb}% % lefttype - \put(-40,24){\line(-5,3){100}}% % single bond at 4 - \if@wrongbdWdL - \XyMTeXWarning{Wrong Bond-Modifier (W)}% - \fi - \else% - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(0,-30){\line(0,-1){110}}% % single bond at 4 - \fi\fi\fi\fi\fi% - \else% no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(0,0){\line(0,-1){140}}% % single bond at 4 - \else\if\@tmpc B%(B) beta - \yl@xdiff=-30\relax - \yl@ydiff=110\relax - \putlatom{-42}{-230}{\@memberb}% % left type - {% - \thicklines% - \put(0,0){\line(-3,-5){72}}% % single bond at 4 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=31\relax - \yl@ydiff=110\relax - \putratom{41}{-230}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(0,0){\line(3,-5){72}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(0,0)(72,-120)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-30\relax - \yl@ydiff=110\relax - \putlatom{-42}{-230}{\@memberb}% % left type - \put(0,0){\line(-3,-5){72}}% % single bond at 4 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=31\relax - \yl@ydiff=110\relax - \putratom{41}{-230}{\@memberb}% % right type - \put(0,0){\line(3,-5){72}}% % single bond at 4 - \fi\fi\fi\fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(-12,0){\line(0,-1){140}}% % double bond at 4 - \put(12,0){\line(0,-1){140}}% % double bond at 4 - \else\if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,0){\line(0,-1){140}}% % single bond at 4 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,0){\line(0,-1){140}}% % single bond at 4 - }{{\thicklines% - \dottedline{20}(0,0)(0,-140)}}% - \else\if\@tmpb W%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=30\relax - \putlatom{-150}{54}{\@memberb}% % left type - \put(0,0){\line(-5,3){140}}% % single bond at 4 - \if@wrongbdWdL - \XyMTeXWarning{Wrong Bond-Modifier (W)}% - \fi - \else% - \yl@xdiff=31\relax - \yl@ydiff=90\relax - \putlratom{-31}{-230}{\@memberb}% % left or right type - \put(0,0){\line(0,-1){140}}% % single bond at 4 - \fi\fi\fi\fi\fi% - \fi}% -\def\@methsubstaL{% -\if@aclip% %clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(0,436){\line(0,1){110}}% % single bond at 1 - \putlratom{-31}{563}{\@memberb}% % left or right type - \else\if\@tmpc B%(B) beta - \yl@xdiff=-36\relax - \yl@ydiff=-27\relax - \putlatom{-42}{563}{\@memberb}% % left type - {% - \thicklines% - \put(-18,436){\line(-3,5){60}}% % single bond at 1 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=37\relax - \yl@ydiff=-27\relax - \putratom{41}{563}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(18,436){\line(3,5){60}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(18,436)(72,526)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-36\relax - \yl@ydiff=-27\relax - \putlatom{-42}{563}{\@memberb}% % left type - \put(-18,436){\line(-3,5){60}}% % single bond at 1 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=37\relax - \yl@ydiff=-27\relax - \putratom{41}{563}{\@memberb}% % right type - \put(18,436){\line(3,5){60}}% % single bond at 1 - \fi\fi\fi\fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \put(-12,436){\line(0,1){110}}% % double bond at 1 - \put(12,436){\line(0,1){110}}% % double bond at 1 - \else\if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,436){\line(0,1){110}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,436){\line(0,1){110}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,436)(0,546)}}% - \else\if\@tmpb W%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=46\relax - \putlatom{-150}{276}{\@memberb}% % left type - \put(-40,382){\line(-5,-3){100}}% % single bond at 1 - \if@wrongbdWaL - \XyMTeXWarning{Wrong Bond-Modifier (W)}% - \fi - \else% - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \put(0,436){\line(0,1){110}}% % single bond at 1 - \fi\fi\fi\fi\fi% -\else% % no clipping - \if\@tmpb S%single bond - \ifx\@tmpc\empty% - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \put(0,406){\line(0,1){140}}% % single bond at 1 - \putlratom{-31}{563}{\@memberb}% % left or right type - \else\if\@tmpc B%(B) beta - \yl@xdiff=-30\relax - \yl@ydiff=-37\relax - \putlatom{-42}{563}{\@memberb}% % left type - {% - \thicklines% - \put(0,406){\line(-3,5){72}}% % single bond at 1 - }% - \else\if\@tmpc A%(A) alpha - \yl@xdiff=31\relax - \yl@ydiff=-37\relax - \putratom{41}{563}{\@memberb}% % right type - \@ifundefined{dottedline}{% - \put(0,406){\line(3,5){72}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,406)(72,526)}}% - \else\if\@tmpc b%(b) beta - \yl@xdiff=-30\relax - \yl@ydiff=-37\relax - \putlatom{-42}{563}{\@memberb}% % left type - \put(0,406){\line(-3,5){72}}% % single bond at 1 - \else\if\@tmpc a%(a) alpha - \yl@xdiff=31\relax - \yl@ydiff=-37\relax - \putratom{41}{563}{\@memberb}% % right type - \put(0,406){\line(3,5){72}}% % single bond at 1 - \fi\fi\fi\fi\fi% - \else\if\@tmpb D%double bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \put(-12,406){\line(0,1){140}}% % double bond at 1 - \put(12,406){\line(0,1){140}}% % double bond at 1 - \else\if\@tmpb B%beta single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - {% - \thicklines% - \put(0,406){\line(0,1){140}}% % single bond at 1 - }% - \else\if\@tmpb A%alpha single bond - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \@ifundefined{dottedline}{% - \put(0,406){\line(0,1){140}}% % single bond at 1 - }{{\thicklines% - \dottedline{20}(0,406)(0,546)}}% - \else\if\@tmpb W%beta single bond - \yl@xdiff=10\relax - \yl@ydiff=58\relax - \putlatom{-130}{276}{\@memberb}% % left type - \put(0,406){\line(-5,-3){120}}% % single bond at 1 - \if@wrongbdWaL - \XyMTeXWarning{Wrong Bond-Modifier (W)}% - \fi - \else% - \yl@xdiff=31\relax - \yl@ydiff=-17\relax - \putlratom{-31}{563}{\@memberb}% % left or right type - \put(0,406){\line(0,1){140}}% % single bond at 1 - \fi\fi\fi\fi\fi% - \fi}% -\def\SKbondB{% - \ifx\bbb\empty% - \ifx\ccc\empty% - \put(0,406){\line(5,-3){171}}% %bond 1-2 - \else% - \put(0,406){\line(5,-3){136}}% %bond 1-2 - \fi% - \else% - \ifx\ccc\empty% - \put(35,385){\line(5,-3){136}}% %bond 1-2 - \else% - \put(35,385){\line(5,-3){100}}% %bond 1-2 - \fi% - \fi}% -\def\SKbondA{% - \ifx\bbb\empty% - \ifx\aaa\empty% - \put(0,406){\line(-5,-3){171}}% %bond 1-6 - \else% - \put(0,406){\line(-5,-3){136}}% %bond 1-6 - \fi% - \else% - \ifx\aaa\empty% - \put(-35,385){\line(-5,-3){136}}% %bond 1-6 - \else% - \put(-35,385){\line(-5,-3){100}}% %bond 1-6 - \fi% - \fi}% -\def\SKbondBi{% - \begin{picture}(0,0)(0,0) - \ifx\bbb\empty% - \ifx\ccc\empty% - \put(0,0){\line(5,3){171}}% %bond 4-3 - \else% - \put(0,0){\line(5,3){136}}% %bond 4-3 - \fi% - \else% - \ifx\ccc\empty% - \put(35,21){\line(5,3){138}}% %bond 4-3 - \else% - \put(35,21){\line(5,3){100}}% %bond 4-3 - \fi% - \fi\end{picture}}% -\def\SKbondAi{% - \begin{picture}(0,0)(0,0) - \ifx\bbb\empty% - \ifx\aaa\empty% - \put(0,0){\line(-5,3){171}}% %bond 4-5 - \else% - \put(0,0){\line(-5,3){136}}% %bond 4-5 - \fi% - \else% - \ifx\aaa\empty% - \put(-35,21){\line(-5,3){138}}% %bond 4-5 - \else% - \put(-35,21){\line(-5,3){100}}% %bond 4-5 - \fi% - \fi\end{picture}}% -\def\bondB{% - \ifx\bbb\empty% - \ifx\ccc\empty% - \put(6,364){\line(5,-3){126}}% %double bond 1-2 - \else% - \put(6,364){\line(5,-3){100}}% %double bond 1-2 - \fi% - \else% - \ifx\ccc\empty% - \put(35,340){\line(5,-3){100}}% %double bond 1-2 - \else% - \put(35,352){\line(5,-3){100}}% %double bond 1-2 - \fi% % line <1OO not available - \fi% - }% -\def\bondBB{% - \ifx\bbb\empty% - \ifx\ccc\empty% - \put(42,420){\line(5,-3){126}}% %double bond 1-2 - \else% - \put(42,420){\line(5,-3){100}}% %double bond 1-2 - \fi% - \else% - \ifx\ccc\empty% - \put(52,412){\line(5,-3){110}}% %double bond 1-2 - \else% - \put(52,412){\line(5,-3){100}}% %double bond 1-2 - \fi% % line <1OO not available - \fi% - }% -\def\bondA{% - \ifx\bbb\empty% - \ifx\aaa\empty% - \put(-6,364){\line(-5,-3){126}}% %double bond 1-6 - \else% - \put(-6,364){\line(-5,-3){100}}% %double bond 1-6 - \fi% - \else% - \ifx\aaa\empty% - \put(-35,340){\line(-5,-3){100}}% %double bond 1-6 - \else% - \put(-35,352){\line(-5,-3){100}}% %double bond 1-6 - \fi% % line <1OO not available - \fi% -}% -\def\bondAA{% - \ifx\bbb\empty% - \ifx\aaa\empty% - \put(-42,420){\line(-5,-3){126}}% %double bond 1-6 - \else% - \put(-42,420){\line(-5,-3){100}}% %double bond 1-6 - \fi% - \else% - \ifx\aaa\empty% - \put(-52,412){\line(-5,-3){100}}% %double bond 1-6 - \else% - \put(-52,412){\line(-5,-3){100}}% %double bond 1-6 - \fi% % line <1OO not available - \fi% -}% - \def\bondBi{% - \ifx\bbb\empty% - \ifx\ccc\empty% - \put(6,42){\line(5,3){126}} %double bond 4-3 - \else% - \put(6,42){\line(5,3){100}} %double bond 4-3 - \fi% - \else% - \ifx\ccc\empty% - \put(35,66){\line(5,3){100}}% %double bond 4-3 - \else% - \put(35,60){\line(5,3){100}}% %double bond 4-3 - \fi% % line <1OO not available - \fi% -}% - \def\bondBBi{% - \ifx\bbb\empty% - \ifx\ccc\empty% - \put(42,-14){\line(5,3){126}}% %double bond 1-6 - \else% - \put(30,-14){\line(5,3){100}}% %double bond 1-6 - \fi% - \else% - \ifx\ccc\empty% - \put(52,0){\line(5,3){100}}% %double bond 1-6 - \else% - \put(52,0){\line(5,3){100}}% %double bond 4-5 - \fi% % line <1OO not available - \fi% -}% - - \def\bondAi{% - \ifx\bbb\empty% - \ifx\aaa\empty% - \put(-6,42){\line(-5,3){126}}% %double bond 4-5 - \else% - \put(-6,42){\line(-5,3){100}}% %double bond 4-5 - \fi% - \else% - \ifx\aaa\empty% - \put(-35,66){\line(-5,3){100}}% %double bond 4-5 - \else% - \put(-35,60){\line(-5,3){100}}% %double bond 4-5 - \fi% % line <1OO not available - \fi% - }% - \def\bondAAi{% - \ifx\bbb\empty% - \ifx\aaa\empty% - \put(-42,-14){\line(-5,3){126}}% %double bond 1-6 - \else% - \put(-42,-14){\line(-5,3){100}}% %double bond 1-6 - \fi% - \else% - \ifx\aaa\empty% - \put(-52,6){\line(-5,3){100}}% %double bond 1-6 - \else% - \put(-52,0){\line(-5,3){100}}% %double bond 4-5 - \fi% % line <1OO not available - \fi% - }% -\newif\if@adoublebond \@adoublebondfalse -\newif\if@bdoublebond \@bdoublebondfalse -\newif\if@Adoublebond \@Adoublebondfalse -\newif\if@Bdoublebond \@Bdoublebondfalse -\def\reset@double{% -\@adoublebondfalse\@bdoublebondfalse -\@Adoublebondfalse\@Bdoublebondfalse} -\newif\if@linterchainsw \@linterchainswfalse -\newif\if@rinterchainsw \@rinterchainswfalse -\def\reset@interchainsw{\@linterchainswfalse\@rinterchainswfalse} -\def\@@trimethylene#1#2#3#4{% -\leavevmode -\iniatom\iniflag%initialize -\test@vrtx@trimethy{#1}{#4}% -\begin{picture}(450,480)(0,0) - \put(171,-303){\SKbondB}% bond between 1 and 2 - \put(171,-303){\SKbondA}% bond between 1 and 6 -\if@adoublebond\relax\put(171,-303){\bondA}\fi -\if@bdoublebond\relax\put(171,-303){\bondB}\fi -\if@Adoublebond\relax\put(171,-303){\bondAA}\fi -\if@Bdoublebond\relax\put(171,-303){\bondBB}\fi -\test@termcnt=#3\relax -\set@hetatom@methyl{#1}{#4}{0}{4}{0}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax -\ifx\@memberb\@yl\else -\ifcase\@tmpaa%0 omit -\or - \ifcase#3 - {\if@aclip \@cliptrue \else \@clipfalse\fi - \put(0,0){\@methsubstdL}}% - \or\relax - \or - {\if@aclip \@cliptrue \else \@clipfalse\fi - \put(0,0){\@methsubstdL}}% - \fi -\or -{\if@bclip \@acliptrue \else \@aclipfalse\fi - \put(171,-303){\@methsubsta}} -\or - \ifcase#3 - {\if@cclip \@cliptrue\else \@clipfalse\fi - \put(342,0){\@methsubstd}}% - \or - {\if@cclip \@cliptrue\else \@clipfalse\fi - \put(342,0){\@methsubstd}}% - \or\relax - \fi -\fi%end of ifcase -\fi\fi -}% -\end{picture}}% end of \@@trimethylene -\def\test@vrtx@trimethy#1#2{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\@tmpaa=\@tmpa \advance\@tmpaa by#2\relax -\ifcase\@tmpaa% - \or \if\@tmpb s\relax \xdef\aaa{}\else\if\@tmpb h\relax - \xdef\aaa{@}\else\xdef\aaa{@}\fi\fi - \or \if\@tmpb s\relax \xdef\bbb{}\else\if\@tmpb h\relax - \xdef\bbb{@}\else\xdef\bbb{@}\fi\fi - \or \if\@tmpb s\relax \xdef\ccc{}\else\if\@tmpb h\relax - \xdef\ccc{@}\else\xdef\ccc{@}\fi\fi -\fi\fi}} -\def\yltrimethyleneposition#1#2#3#4{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax -\ifcase\@tmpaa% - \or \def\aaa{@}%\def\aaa{\@memberb}% - \or \def\bbb{@}%\def\bbb{\@memberb}% - \or \def\ccc{@}%\def\ccc{\@memberb}% -\fi\fi}% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#2\do{\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpaa%0 omit -\or - \ifcase#3 - \ifx\aaa\empty - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1 - \else - \if@linterchainsw%interchain position - \gdef\@ylii{0}\gdef\@yli{40}\global\@ylswtrue% subst. on 1 - \else% terminal position - \gdef\@ylii{40}\gdef\@yli{-24}\global\@ylswtrue% subst. on 1 - \fi - \fi - \or\relax - \or - \ifx\aaa\empty - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1 - \else - \if@linterchainsw%interchain position - \gdef\@ylii{0}\gdef\@yli{40}\global\@ylswtrue% subst. on 1 - \else% terminal position - \gdef\@ylii{40}\gdef\@yli{-24}\global\@ylswtrue% subst. on 1 - \fi - \fi - \fi -\or - \ifx\bbb\empty - \gdef\@ylii{-171}\gdef\@yli{-103}\global\@ylswtrue% subst. on 2 - \else - \gdef\@ylii{-171}\gdef\@yli{-133}\global\@ylswtrue% subst. on 2 - \fi -\or - \ifcase#3 - \ifx\ccc\empty - \gdef\@ylii{-342}\gdef\@yli{0}\global\@ylswtrue% subst. on 3 - \else - \if@rinterchainsw%interchain position - \gdef\@ylii{-342}\gdef\@yli{40}\global\@ylswtrue% subst. on 3 - \else - \gdef\@ylii{-382}\gdef\@yli{-24}\global\@ylswtrue% subst. on 3 - \fi - \fi - \or - \ifx\ccc\empty - \gdef\@ylii{-342}\gdef\@yli{0}\global\@ylswtrue% subst. on 3 - \else - \if@rinterchainsw%interchain position - \gdef\@ylii{-342}\gdef\@yli{40}\global\@ylswtrue% subst. on 3 - \else - \gdef\@ylii{-382}\gdef\@yli{-24}\global\@ylswtrue% subst. on 3 - \fi - \fi - \or\relax - \fi -\fi%end of ifcase -\fi}}% end of \yltrimethyleneposition -\newcount\test@termcnt -\def\set@hetatom@methyl#1#2#3#4#5{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoCH@R\@membera//% -\ifnum#5 < 0\relax% -\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax% -\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax \fi -\ifnum\@tmpaa >#3\relax% -\ifnum\@tmpaa <#4\relax% -\ifcase\@tmpaa% -\or%position 1 <--- position 6 of set@hetatom@sixv - \ifnum\test@termcnt=1\else%not terminal point (left) - \if\@tmpb h\relax% - \@acliptrue% - \putlatom{0}{30}{\@memberb}% % right type - \else\if\@tmpb s\relax% - \@aclipfalse% - \putlatom{0}{0}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@acliptrue% - \putlatom{36}{-23}{\@memberb}% % left type - \fi\fi\fi - \fi -\or%position 2 <--- position 1 of set@hetatom@sixv - \if\@tmpb h\relax% - \@bcliptrue% - \putratom{171}{53}{\@memberb}% % right type - \else\if\@tmpb s\relax% - \@bclipfalse% - \putratom{171}{103}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@bcliptrue% - \putratom{140}{65}{\@memberb}% % right type - \fi\fi\fi -\or%position 3 <--- position 2 of set@hetatom@sixv - \ifnum\test@termcnt=2\else%not terminal point (right) - \if\@tmpb h\relax - \@ccliptrue% - \putratom{330}{30}{\@memberb}% % right type - \else\if\@tmpb s\relax - \@cclipfalse% - \putratom{346}{0}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@ccliptrue% - \putratom{306}{-23}{\@memberb}% % right type - \fi\fi\fi - \fi -\fi% end of ifcase -\fi\fi\fi}}% end of the macro \set@hetatom@methyl -\def\trimethylene{% -\@ifnextchar[{\@trimethylene[@}{\@trimethylene[]}} -\def\@trimethylene[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -\reset@interchainsw% -\yltrimethyleneposition{#2}{#3}{0}{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(450,480)(-50,-180) - \iforigpt \put(-50,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `trimethylene' origin: % - (0,0) ---> (50,180)}\fi% -\fi -\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member b\relax -\@bdoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else\if\member B\relax -\@Bdoublebondtrue -\else - \expandafter\twoCH@@R\member//% - \set@fusion@trimeth -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdfalse - \put(0,0){\@@trimethylene{#2}{#3}{0}{0}}% -\end{picture}}% end of \trimethylene \@trimethylene -\def\set@fusion@trimeth{% -\if\@@tmpa a\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa b\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{342}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \fi\fi\fi\fi -}% end of the macro \set@fusion@trimeth -\def\@@trimethylenei#1#2#3#4{% -\leavevmode -\iniatom\iniflag%initialize -\test@vrtx@trimethy{#1}{#4}% -\begin{picture}(450,480)(0,0) - \put(171,0){\SKbondAi}% bond between 1 and 2 - \put(171,0){\SKbondBi}% bond between 2 and 3 -\if@adoublebond\relax\put(171,0){\bondAi}\fi -\if@bdoublebond\relax\put(171,0){\bondBi}\fi -\if@Adoublebond\relax\put(171,0){\bondAAi}\fi -\if@Bdoublebond\relax\put(171,0){\bondBBi}\fi -\test@termcnt=#3\relax -\set@hetatom@methyli{#1}{#4}{0}{4}{0}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax -\ifx\@memberb\@yl\else -\ifcase\@tmpaa%0 omit -\or - \ifcase#3 - \put(0,-303){\@methsubstaL}% - \or\relax - \or - \put(0,-303){\@methsubstaL}% - \fi -\or -{\if@bclip \@cliptrue \else \@clipfalse\fi - \put(171,0){\@methsubstd}}% -\or - \ifcase#3 - {\if@cclip \@acliptrue\else \@aclipfalse\fi - \put(342,-303){\@methsubsta}}% - \or - {\if@cclip \@acliptrue\else \@aclipfalse\fi - \put(342,-303){\@methsubsta}}% - \or\relax - \fi -\fi%end of ifcase -\fi\fi -}% -\end{picture}}% end of \@@trimethylenei -\def\yltrimethyleneiposition#1#2#3#4{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoCH@R\@membera//% -\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax -\ifcase\@tmpaa% - \or \def\aaa{@}%\def\aaa{\@memberb}% - \or \def\bbb{@}%\def\bbb{\@memberb}% - \or \def\ccc{@}%\def\ccc{\@memberb}% -\fi% -\fi}% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#2\do{\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpaa%0 omit -\or%%%%%%position 1 - \ifcase#3 - \ifx\aaa\empty -%% \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1 - \gdef\@ylii{0}\gdef\@yli{-103}\global\@ylswtrue% subst. on 1 - \else - \if@linterchainsw%interchain position - \gdef\@ylii{0}\gdef\@yli{-133}\global\@ylswtrue% subst. on 1 - \else% terminal position -%% \gdef\@ylii{40}\gdef\@yli{-24}\global\@ylswtrue% subst. on 1 - \gdef\@ylii{40}\gdef\@yli{-79}\global\@ylswtrue% subst. on 1 - \fi - \fi - \or\relax - \or - \ifx\aaa\empty -%% \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1 - \gdef\@ylii{0}\gdef\@yli{-103}\global\@ylswtrue% subst. on 1 - \else - \if@linterchainsw%interchain position - \gdef\@ylii{0}\gdef\@yli{-133}\global\@ylswtrue% subst. on 1 - \else% terminal position -%% \gdef\@ylii{40}\gdef\@yli{-24}\global\@ylswtrue% subst. on 1 - \gdef\@ylii{40}\gdef\@yli{-79}\global\@ylswtrue% subst. on 1 - \fi - \fi - \fi -\or%%%%%%%%position 2 - \ifx\bbb\empty -%% \gdef\@ylii{-171}\gdef\@yli{-103}\global\@ylswtrue% subst. on 2 - \gdef\@ylii{-171}\gdef\@yli{0}\global\@ylswtrue% subst. on 2 - \else -%% \gdef\@ylii{-171}\gdef\@yli{-133}\global\@ylswtrue% subst. on 2 - \gdef\@ylii{-171}\gdef\@yli{50}\global\@ylswtrue% subst. on 2 - \fi -\or%%%%%%%%position 3 - \ifcase#3 - \ifx\ccc\empty -%% \gdef\@ylii{-342}\gdef\@yli{0}\global\@ylswtrue% subst. on 3 - \gdef\@ylii{-342}\gdef\@yli{-103}\global\@ylswtrue% subst. on 3 - \else - \if@rinterchainsw%interchain position -%% \gdef\@ylii{-342}\gdef\@yli{40}\global\@ylswtrue% subst. on 3 - \gdef\@ylii{-342}\gdef\@yli{-133}\global\@ylswtrue% subst. on 3 - \else -%% \gdef\@ylii{-382}\gdef\@yli{-24}\global\@ylswtrue% subst. on 3 - \gdef\@ylii{-382}\gdef\@yli{-79}\global\@ylswtrue% subst. on 3 - \fi - \fi - \or - \ifx\ccc\empty - \gdef\@ylii{-342}\gdef\@yli{-103}\global\@ylswtrue% subst. on 3 - \else - \if@rinterchainsw%interchain position - \gdef\@ylii{-342}\gdef\@yli{-133}\global\@ylswtrue% subst. on 3 - \else - \gdef\@ylii{-382}\gdef\@yli{-79}\global\@ylswtrue% subst. on 3 - \fi - \fi - \or\relax - \fi -\fi%end of ifcase -\fi}}% end of \yltrimethyleneiposition -\def\set@hetatom@methyli#1#2#3#4#5{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifnum#5 < 0\relax% -\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax% -\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax \fi -\ifnum\@tmpaa >#3\relax% -\ifnum\@tmpaa <#4\relax% -\ifcase\@tmpaa% -\or%position 1 <-- \set@hetatom@sixv position 5 - \ifnum\test@termcnt=1\else%not terminal point (left) - \if\@tmpb h\relax - \@acliptrue% - \putlatom{0}{70}{\@memberb}% % right type - \else\if\@tmpb s\relax - \@aclipfalse% - \putlatom{0}{103}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@acliptrue% - \putlatom{36}{65}{\@memberb}% % left type - \fi\fi\fi - \fi -\or%position 2 <-- \set@hetatom@sixv position 4 - \if\@tmpb h\relax - \@bcliptrue% - \putratom{171}{50}{\@memberb}% % right type - \else\if\@tmpb s\relax - \@bclipfalse% - \putratom{171}{0}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@bcliptrue% - \putratom{140}{-23}{\@memberb}% % right type - \fi\fi\fi -\or%position 3 <-- \set@hetatom@sixv position 3 - \ifnum\test@termcnt=2\else%not terminal point (right) - \if\@tmpb h\relax - \@ccliptrue% - \putratom{342}{70}{\@memberb}% % right type - \else\if\@tmpb s\relax - \@cclipfalse% - \putratom{342}{103}{\@memberb}% % right type - \else\if\@tmpb a\relax%omit fused position - \else - \@ccliptrue% - \putratom{306}{65}{\@memberb}% % right type - \fi\fi\fi - \fi -\fi% end of ifcase -\fi\fi\fi}}% end of the macro \set@hetatom@methyli -\def\trimethylenei{% -\@ifnextchar[{\@trimethylenei[@}{\@trimethylenei[]}} -\def\@trimethylenei[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -\reset@interchainsw% -\yltrimethyleneiposition{#2}{#3}{0}{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(450,480)(-50,-180) - \iforigpt \put(-50,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `trimethylene' origin: % - (0,0) ---> (50,180)}\fi% -\fi -\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member b\relax -\@bdoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else\if\member B\relax -\@Bdoublebondtrue -\else - \expandafter\twoCH@@R\member//% - \set@fusion@trimethi -\fi\fi\fi\fi}% -\@wrongbdWafalse -\@wrongbdWdtrue - \put(0,0){\@@trimethylenei{#2}{#3}{0}{0}}% -\end{picture}}% end of \trimethylenei -\def\set@fusion@trimethi{% -\if\@@tmpa a\relax% - \putlratom{0}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{171}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa b\relax% - \putlratom{171}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{342}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \fi\fi\fi\fi -}% end of the macro \set@fusion@trimethi -\def\@@dimethylene#1#2#3#4{% -\leavevmode -\iniatom\iniflag%initialize -\test@vrtx@dimethy{#1}{#4}% -\begin{picture}(250,480)(0,0) - \put(171,-303){\SKbondA}% bond between 1 and 2 -\if@adoublebond - \put(171,-303){\bondA}%upper side double bond -\else\if@Adoublebond - \put(171,-303){\bondAA}%lower side double bond -\fi\fi% -\test@termcnt=#3\relax -\set@hetatom@methyl{#1}{#4}{0}{3}{0}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax -\ifx\@memberb\@yl\else -\ifcase\@tmpaa%0 omit -\or - \ifcase#3 - {\if@aclip \@cliptrue \else \@clipfalse\fi - \put(0,0){\@methsubstdL}}% - \or\relax - \or - {\if@aclip \@cliptrue \else \@clipfalse\fi - \put(0,0){\@methsubstdL}}% - \fi -\or - \ifcase#3 - {\if@bclip \@acliptrue \else \@aclipfalse\fi - \put(171,-303){\@methsubsta}} - \or - {\if@bclip \@acliptrue \else \@aclipfalse\fi - \put(171,-303){\@methsubsta}} - \or\relax - \fi -\fi%end of ifcase -\fi\fi% -}% -\end{picture}}% end of \@@dimethylene -\def\test@vrtx@dimethy#1#2{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\@tmpaa=\@tmpa \advance\@tmpaa by#2\relax -\ifcase\@tmpaa% - \or \if\@tmpb s\relax \xdef\aaa{}\else\if\@tmpb h\relax - \xdef\aaa{@}\else\xdef\aaa{@}\fi\fi - \or \if\@tmpb s\relax \xdef\bbb{}\else\if\@tmpb h\relax - \xdef\bbb{@}\else\xdef\bbb{@}\fi\fi -\fi\fi}} -\def\yldimethyleneposition#1#2#3#4{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax -\ifcase\@tmpaa% - \or \def\aaa{\@memberb}% - \or \def\bbb{\@memberb}% -\fi\fi}% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpaa%0 omit -\or - \ifcase#3 - \ifx\aaa\empty - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1 - \else - \if@linterchainsw%interchain position - \gdef\@ylii{0}\gdef\@yli{40}\global\@ylswtrue% subst. on 1 - \else%terminal position - \gdef\@ylii{40}\gdef\@yli{-24}\global\@ylswtrue% subst. on 1 - \fi - \fi - \or\relax - \or - \ifx\aaa\empty - \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1 - \else - \if@linterchainsw%interchain position - \gdef\@ylii{0}\gdef\@yli{40}\global\@ylswtrue% subst. on 1 - \else%terminal position - \gdef\@ylii{40}\gdef\@yli{-24}\global\@ylswtrue% subst. on 1 - \fi - \fi - \fi -\or - \ifcase#3 - \ifx\bbb\empty - \gdef\@ylii{-171}\gdef\@yli{-103}\global\@ylswtrue% subst. on 2 - \else - \if@rinterchainsw%interchain position - \gdef\@ylii{-171}\gdef\@yli{-133}\global\@ylswtrue% subst. on 2 - \else%terminal position - \gdef\@ylii{-211}\gdef\@yli{-93}\global\@ylswtrue% subst. on 2 - \fi - \fi - \or - \ifx\bbb\empty - \gdef\@ylii{-171}\gdef\@yli{-103}\global\@ylswtrue% subst. on 2 - \else - \if@rinterchainsw%interchain position - \gdef\@ylii{-171}\gdef\@yli{-133}\global\@ylswtrue% subst. on 2 - \else%terminal position - \gdef\@ylii{-211}\gdef\@yli{-93}\global\@ylswtrue% subst. on 2 - \fi - \fi - \or \relax - \fi -\fi%end of ifcase -\fi\fi}}% end of \yldimethyleneposition -\def\dimethylene{% -\@ifnextchar[{\@dimethylene[@}{\@dimethylene[]}} -\def\@dimethylene[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -\reset@interchainsw% -\yldimethyleneposition{#2}{#3}{0}{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(250,480)(-50,-180) - \iforigpt \put(-50,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `dimethylene' origin: % - (0,0) ---> (50,180)}\fi% -\fi -\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else - \expandafter\twoCH@@R\member//% - \set@fusion@dimeth -\fi\fi}% -\@wrongbdWafalse -\@wrongbdWdfalse - \put(0,0){\@@dimethylene{#2}{#3}{0}{0}}% -\end{picture}}% end of \dimethylene -\def\set@fusion@dimeth{% -\if\@@tmpa a\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \fi\fi -}% end of the macro \set@fusion@dimeth -\def\@@dimethylenei#1#2#3#4{% -\leavevmode -\iniatom\iniflag%initialize -\test@vrtx@dimethy{#1}{#4}% -\begin{picture}(250,480)(0,0) - \put(171,0){\SKbondAi}% bond between 1 and 2 -\if@adoublebond - \put(171,0){\bondAi}%upper side double bond -\else\if@Adoublebond - \put(171,0){\bondAAi}%lower side double bond -\fi\fi% -\test@termcnt=#3\relax -\set@hetatom@methyli{#1}{#4}{0}{3}{0}% -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax -\ifx\@memberb\@yl\else -\ifcase\@tmpaa%0 omit -\or - \ifcase#3 - \put(0,-303){\@methsubstaL}% - \or\relax - \or - \put(0,-303){\@methsubstaL}% - \fi -\or - \ifcase#3 - {\if@bclip \@cliptrue \else \@clipfalse\fi - \put(171,0){\@methsubstd}} - \or - {\if@bclip \@cliptrue \else \@clipfalse\fi - \put(171,0){\@methsubstd}} - \or\relax - \fi -\fi%end of ifcase -\fi\fi% -}% -\end{picture}}% end of \@@dimethylenei -\def\yldimethyleneiposition#1#2#3#4{% -\@forsemicol\member:=#1\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax -\ifcase\@tmpaa% - \or \def\aaa{\@memberb}% - \or \def\bbb{\@memberb}% -\fi\fi}% -\@@ylswfalse%%%\@reset@ylsw -\@forsemicol\member:=#2\do{\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax -\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi -\if@@ylsw -\ifcase\@tmpaa%0 omit -\or%%%%%%%%position 1 - \ifcase#3 - \ifx\aaa\empty - \gdef\@ylii{0}\gdef\@yli{-103}\global\@ylswtrue% subst. on 1 - \else - \if@linterchainsw%interchain position - \gdef\@ylii{0}\gdef\@yli{-133}\global\@ylswtrue% subst. on 1 - \else%terminal position - \gdef\@ylii{40}\gdef\@yli{-79}\global\@ylswtrue% subst. on 1 - \fi - \fi - \or\relax - \or - \ifx\aaa\empty - \gdef\@ylii{0}\gdef\@yli{-103}\global\@ylswtrue% subst. on 1 - \else - \if@linterchainsw%interchain position - \gdef\@ylii{0}\gdef\@yli{-133}\global\@ylswtrue% subst. on 1 - \else%terminal position - \gdef\@ylii{40}\gdef\@yli{-79}\global\@ylswtrue% subst. on 1 - \fi - \fi - \fi -\or%%%%%%%%position 2 - \ifcase#3 - \ifx\bbb\empty - \gdef\@ylii{-171}\gdef\@yli{0}\global\@ylswtrue% subst. on 2 - \else - \if@rinterchainsw%interchain position - \gdef\@ylii{-171}\gdef\@yli{33}\global\@ylswtrue% subst. on 2 - \else%terminal position - % \gdef\@ylii{-211}\gdef\@yli{-93}\global\@ylswtrue% subst. on 2 - \gdef\@ylii{-211}\gdef\@yli{-10}\global\@ylswtrue% subst. on 2 - \fi - \fi - \or - \ifx\bbb\empty - \gdef\@ylii{-171}\gdef\@yli{0}\global\@ylswtrue% subst. on 2 - \else - \if@rinterchainsw%interchain position - \gdef\@ylii{-171}\gdef\@yli{33}\global\@ylswtrue% subst. on 2 - \else%terminal position - \gdef\@ylii{-211}\gdef\@yli{-10}\global\@ylswtrue% subst. on 2 - \fi - \fi - \or \relax - \fi -\fi%end of ifcase -\fi}}% end of \yldimethyleneiposition -\def\dimethylenei{% -\@ifnextchar[{\@dimethylenei[@}{\@dimethylenei[]}} -\def\@dimethylenei[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -\reset@interchainsw% -\yldimethyleneiposition{#2}{#3}{0}{0}% -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(250,480)(-50,-180) - \iforigpt \put(-50,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `dimethylene' origin: % - (0,0) ---> (50,180)}\fi% -\fi -\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else - \expandafter\twoCH@@R\member//% - \set@fusion@dimethi -\fi\fi}% -\@wrongbdWafalse -\@wrongbdWdfalse - \put(0,0){\@@dimethylenei{#2}{#3}{0}{0}}% -\end{picture}}% end of \dimethylenei -\def\set@fusion@dimethi{% -\if\@@tmpa a\relax% - \putlratom{0}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{171}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% -\fi\fi -}% end of the macro \set@fusion@dimethi -\def\tetramethylene{% -\@ifnextchar[{\@tetramethylene[@}{\@tetramethylene[]}} -\def\@tetramethylene[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -{\@linterchainswfalse% -\@rinterchainswtrue% -\yltrimethyleneposition{#2}{#3}{0}{0}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\@rinterchainswfalse% -\@linterchainswtrue% -\yldimethyleneposition{#2}{#3}{1}{-2}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(900,480)(-200,-180) - \iforigpt \put(-200,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `tetramethylene' origin: % - (0,0) ---> (200,180)}\fi% -\fi -{\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member b\relax -\@bdoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else\if\member B\relax -\@Bdoublebondtrue -\else\if\member c\relax%dummy -\else\if\member C\relax%dummy -\else - \expandafter\twoCH@@R\member//% - \set@fusion@tetrameth -\fi\fi -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(0,0){\@@trimethylene{#2}{#3}{0}{0}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member c\relax -\@adoublebondtrue -\else\if\member C\relax -\@Adoublebondtrue -\fi\fi}% -\@wrongbdWafalse -\@wrongbdWdtrue -\put(342,0){\@@dimethylene{#2}{#3}{1}{-2}}}% -\end{picture}}% end of \tetramethylene -\def\set@fusion@tetrameth{% -\if\@@tmpa a\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa b\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{342}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \else\if\@@tmpa c\relax% - \putlratom{342}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}% - \else\if\@@tmpa C\relax% - \putlratom{513}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}% - \fi\fi - \fi\fi\fi\fi -}% end of the macro \set@fusion@tetrameth -\def\tetramethylenei{% -\@ifnextchar[{\@tetramethylenei[@}{\@tetramethylenei[]}} -\def\@tetramethylenei[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -{\@linterchainswfalse% -\@rinterchainswtrue% -\yltrimethyleneiposition{#2}{#3}{0}{0}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\@rinterchainswfalse% -\@linterchainswtrue% -\yldimethyleneiposition{#2}{#3}{1}{-2}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(900,480)(-200,-180) - \iforigpt \put(-200,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `tetramethylene' origin: % - (0,0) ---> (200,180)}\fi% -\fi -{\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member b\relax -\@bdoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else\if\member B\relax -\@Bdoublebondtrue -\else\if\member c\relax%dummy -\else\if\member C\relax%dummy -\else - \expandafter\twoCH@@R\member//% - \set@fusion@tetramethi -\fi\fi -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(0,0){\@@trimethylenei{#2}{#3}{0}{0}}} -{\reset@double% -\@tfor\member:=#1\do{% -\if\member c\relax -\@adoublebondtrue -\else\if\member C\relax -\@Adoublebondtrue -\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdfalse -\put(342,0){\@@dimethylenei{#2}{#3}{1}{-2}}} -\end{picture}}%end of \tetramethylenei -\def\set@fusion@tetramethi{% -\if\@@tmpa a\relax% - \putlratom{0}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{171}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa b\relax% - \putlratom{171}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{342}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \else\if\@@tmpa c\relax% - \putlratom{342}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}% - \else\if\@@tmpa C\relax% - \putlratom{513}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}% - \fi\fi - \fi\fi\fi\fi -}% end of the macro \set@fusion@tetramethi -\def\tetramethylenecup{% -\@ifnextchar[{\@tetramethylenecup[@}{\@tetramethylenecup[]}} -\def\@tetramethylenecup[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -{\@linterchainswfalse% -\@rinterchainswtrue% -\yldimethyleneiposition{#2}{#3}{0}{0}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\@rinterchainswfalse% -\@linterchainswtrue% -\yldimethyleneposition{#2}{#3}{0}{-2}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-371}\def\@@yli{0}\fi\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff -\else -\begin{picture}(900,480)(-200,-180) - \iforigpt \put(-200,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `tetramethylenecup' origin: % - (0,0) ---> (200,180)}\fi% -\fi% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else\if\member b\relax%dummy -\else\if\member B\relax%dummy -\else\if\member c\relax%dummy -\else\if\member C\relax%dummy -\else - \expandafter\twoCH@@R\member//% - \set@fusion@tetracup% for all bonds -\fi\fi\fi\fi -\fi\fi}% -\@wrongbdWafalse -\@wrongbdWdtrue -\put(0,0){\@@dimethylenei{#2}{#3}{0}{0}}}% -{\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa% - \or \relax% - \or \if\@tmpb s\relax\else\if\@tmpb h\relax - \xdef\fff{@}\xdef\bbb{@}\else - \xdef\fff{@}\xdef\bbb{@}\fi\fi - \or \if\@tmpb s\relax\else\if\@tmpb h\relax - \xdef\eee{@}\xdef\ccc{@}\else - \xdef\eee{@}\xdef\ccc{@}\fi\fi -\fi\fi}% -\put(68,171){\hskbonde}% -\reset@double% -\@tfor\member:=#1\do{% - \if\member b\relax - \@bdoublebondtrue - \put(68,171){\hbonde}% - \else\if\member B\relax - \@bdoublebondtrue - \put(68,-171){\hbondb}% - \fi\fi}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member c\relax -\@adoublebondtrue -\else\if\member C\relax -\@Adoublebondtrue -\else\if\member d\relax -\@bdoublebondtrue -\else\if\member D\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% - \@wrongbdWafalse - \@wrongbdWdLtrue -\put(371,0){\@@dimethylene{#2}{#3}{0}{-2}}}% -\end{picture}}% end of \tetramethylenecup -\def\set@fusion@tetracup{% -\if\@@tmpa a\relax% - \putlratom{0}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{171}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa b\relax% - \putlratom{171}{0}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{371}{0}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \else\if\@@tmpa c\relax% - \putlratom{371}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}% - \else\if\@@tmpa C\relax% - \putlratom{542}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}% - \fi\fi - \fi\fi\fi\fi -}% end of the macro \set@fusion@tetracup -\def\tetramethylenecap{% -\@ifnextchar[{\@tetramethylenecap[@}{\@tetramethylenecap[]}} -\def\@tetramethylenecap[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -{\@linterchainswfalse% -\@rinterchainswtrue% -\yldimethyleneposition{#2}{#3}{0}{0}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\@rinterchainswfalse% -\@linterchainswtrue% -\yldimethyleneiposition{#2}{#3}{0}{-2}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-371}\def\@@yli{0}\fi\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(900,480)(-200,-180) - \iforigpt \put(-200,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `tetramethylenecap' origin: % - (0,0) ---> (50,180)}\fi% -\fi% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else\if\member b\relax%dummy -\else\if\member B\relax%dummy -\else\if\member c\relax%dummy -\else\if\member C\relax%dummy -\else - \expandafter\twoCH@@R\member//% - \set@fusion@tetracap% for all bonds -\fi\fi\fi\fi -\fi\fi}% -\@wrongbdWatrue -\put(0,0){\@@dimethylene{#2}{#3}{0}{0}}}% -{\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\twoch@r\@membera{}% -\ifcase\@tmpa% - \or \relax% - \or \if\@tmpb s\relax\else\if\@tmpb h\relax - \xdef\fff{@}\xdef\bbb{@}\else - \xdef\fff{@}\xdef\bbb{@}\fi\fi - \or \if\@tmpb s\relax\else\if\@tmpb h\relax - \xdef\eee{@}\xdef\ccc{@}\else - \xdef\eee{@}\xdef\ccc{@}\fi\fi -\fi\fi}% -\put(68,-68){\hskbondb}% -\reset@double% -\@tfor\member:=#1\do{% - \if\member b\relax - \@bdoublebondtrue - \put(68,-68){\hbondb}% - \else\if\member B\relax - \@bdoublebondtrue - \put(68,274){\hbonde}% - \fi\fi}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member c\relax -\@adoublebondtrue -\else\if\member C\relax -\@Adoublebondtrue -\else\if\member d\relax -\@bdoublebondtrue -\else\if\member D\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% - \@wrongbdWaLtrue -\put(371,0){\@@dimethylenei{#2}{#3}{0}{-2}}}% -\end{picture}}% end of \tetramethylenecap -\def\set@fusion@tetracap{% -\if\@@tmpa a\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa b\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{-200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{371}{103}{\@@tmpb}% % bond fused - \FuseWarning{200}{0}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \else\if\@@tmpa c\relax% - \putlratom{371}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}% - \else\if\@@tmpa C\relax% - \putlratom{542}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}% - \fi\fi - \fi\fi\fi\fi -}% end of the macro \set@fusion@tetracap -\def\pentamethylene{% -\@ifnextchar[{\@pentamethylene[@}{\@pentamethylene[]}} -\def\@pentamethylene[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -{\@linterchainswfalse% -\@rinterchainswtrue% -\yltrimethyleneposition{#2}{#3}{0}{0}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\@rinterchainswfalse% -\@linterchainswtrue% -\yltrimethyleneposition{#2}{#3}{1}{-2}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(1100,480)(-200,-180) - \iforigpt \put(-200,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `pentamethylene' origin: % - (0,0) ---> (200,180)}\fi% -\fi% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member b\relax -\@bdoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else\if\member B\relax -\@Bdoublebondtrue -\else\if\member c\relax%dummy -\else\if\member C\relax%dummy -\else\if\member d\relax%dummy -\else\if\member D\relax%dummy -\else - \expandafter\twoCH@@R\member//% - \set@fusion@pentameth% for all bonds -\fi\fi\fi\fi -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(0,0){\@@trimethylene{#2}{#3}{0}{0}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member c\relax -\@adoublebondtrue -\else\if\member d\relax -\@bdoublebondtrue -\else\if\member C\relax -\@Adoublebondtrue -\else\if\member D\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdfalse -\put(342,0){\@@trimethylene{#2}{#3}{1}{-2}}}% -\end{picture}}% end of \pentamethylene -\def\set@fusion@pentameth{% -\if\@@tmpa a\relax% - \putlratom{0}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa b\relax% - \putlratom{171}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{342}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \else\if\@@tmpa c\relax% - \putlratom{342}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}% - \else\if\@@tmpa C\relax% - \putlratom{513}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}% - \else\if\@@tmpa d\relax% - \putlratom{513}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{d}% - \else\if\@@tmpa D\relax% - \putlratom{684}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{D}% - \fi\fi\fi\fi - \fi\fi\fi\fi -}% end of the macro \set@fusion@pentameth -\def\pentamethylenei{% -\@ifnextchar[{\@pentamethylenei[@}{\@pentamethylenei[]}} -\def\@pentamethylenei[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -{\@linterchainswfalse% -\@rinterchainswtrue% -\yltrimethyleneiposition{#2}{#3}{0}{0}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\@rinterchainswfalse% -\@linterchainswtrue% -\yltrimethyleneiposition{#2}{#3}{1}{-2}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi\fi -\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(1100,480)(-200,-180) - \iforigpt \put(-200,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `pentamethylene' origin: % - (0,0) ---> (200,180)}\fi% -\fi% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member b\relax -\@bdoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else\if\member B\relax -\@Bdoublebondtrue -\else\if\member c\relax%dummy -\else\if\member C\relax%dummy -\else\if\member d\relax%dummy -\else\if\member D\relax%dummy -\else - \expandafter\twoCH@@R\member//% - \set@fusion@pentamethi% for all bonds -\fi\fi\fi\fi -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(0,0){\@@trimethylenei{#2}{#3}{0}{0}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member c\relax -\@adoublebondtrue -\else\if\member d\relax -\@bdoublebondtrue -\else\if\member C\relax -\@Adoublebondtrue -\else\if\member D\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% -\@wrongbdWafalse -\@wrongbdWdtrue -\put(342,0){\@@trimethylenei{#2}{#3}{1}{-2}}} -\end{picture}}% end of \pentamethylenei -\def\set@fusion@pentamethi{% -\if\@@tmpa a\relax% - \putlratom{0}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}% - \else\if\@@tmpa A\relax% - \putlratom{171}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}% - \else\if\@@tmpa b\relax% - \putlratom{171}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}% - \else\if\@@tmpa B\relax% - \putlratom{342}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}% - \else\if\@@tmpa c\relax% - \putlratom{342}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}% - \else\if\@@tmpa C\relax% - \putlratom{513}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}% - \else\if\@@tmpa d\relax% - \putlratom{513}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{d}% - \else\if\@@tmpa D\relax% - \putlratom{684}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{D}% - \fi\fi\fi\fi - \fi\fi\fi\fi -}% end of the macro \set@fusion@pentamethi -\newif\if@normorinvsw \@normorinvswfalse -\def\set@normaldirection{% -\@normorinvswfalse -\let\@yltrinormorinv=\yltrimethyleneposition -\let\@yldinormorinv=\yldimethyleneposition -\let\@@trinormorinv=\@@trimethylene -\let\@@dinormorinv=\@@dimethylene} -\def\set@inversedirection{% -\@normorinvswtrue -\let\@yltrinormorinv=\yltrimethyleneiposition -\let\@yldinormorinv=\yldimethyleneiposition -\let\@@trinormorinv=\@@trimethylenei -\let\@@dinormorinv=\@@dimethylenei} -\def\hexamethylene{% -\@ifnextchar[{\set@normaldirection\@hexamethylene[@}{% -\set@normaldirection\@hexamethylene[]}} -\def\hexamethylenei{% -\@ifnextchar[{\set@inversedirection\@hexamethylene[@}{% -\set@inversedirection\@hexamethylene[]}} -\def\@hexamethylene[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -{\@linterchainswfalse% -\@rinterchainswtrue% -\@yltrinormorinv{#2}{#3}{0}{0}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\@rinterchainswtrue% -\@linterchainswtrue% -\@yltrinormorinv{#2}{#3}{1}{-2}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi -\else -{\@rinterchainswfalse% -\@linterchainswtrue% -\@yldinormorinv{#2}{#3}{1}{-4}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-684}\def\@@yli{0}\fi\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(1100,480)(-200,-180) - \iforigpt \put(-200,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `hexamethylene' origin: % - (0,0) ---> (200,180)}\fi% -\fi% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member b\relax -\@bdoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else\if\member B\relax -\@Bdoublebondtrue -\else\if\member c\relax%dummy -\else\if\member C\relax%dummy -\else\if\member d\relax%dummy -\else\if\member D\relax%dummy -\else\if\member e\relax%dummy -\else\if\member E\relax%dummy -\else - \expandafter\twoCH@@R\member//% - \set@fusion@hexameth% for all bonds -\fi\fi\fi\fi\fi\fi -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(0,0){\@@trinormorinv{#2}{#3}{0}{0}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member c\relax -\@adoublebondtrue -\else\if\member d\relax -\@bdoublebondtrue -\else\if\member C\relax -\@Adoublebondtrue -\else\if\member D\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(342,0){\@@trinormorinv{#2}{#3}{1}{-2}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member e\relax -\@adoublebondtrue -\else\if\member E\relax -\@Adoublebondtrue -\fi\fi}% -\if@normorinvsw% inverse - \@wrongbdWatrue - \@wrongbdWdfalse -\else% normal - \@wrongbdWafalse - \@wrongbdWdtrue -\fi -\put(684,0){\@@dinormorinv{#2}{#3}{1}{-4}}}% -\end{picture}}% end of \@hexamethylene -\def\set@fusion@hexameth{% -\if@normorinvsw - \if\@@tmpa e\relax% - \putlratom{684}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e}% - \else\if\@@tmpa E\relax% - \putlratom{855}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E}% - \else - \set@fusion@pentamethi - \fi\fi -\else - \if\@@tmpa e\relax% - \putlratom{684}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e}% - \else\if\@@tmpa E\relax% - \putlratom{855}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E}% - \else - \set@fusion@pentameth - \fi\fi -\fi -}% end of the macro \set@fusion@hexameth -\def\heptamethylene{% -\@ifnextchar[{\set@normaldirection\@heptamethylene[@}{% -\set@normaldirection\@heptamethylene[]}} -\def\heptamethylenei{% -\@ifnextchar[{\set@inversedirection\@heptamethylene[@}{% -\set@inversedirection\@heptamethylene[]}} -\def\@heptamethylene[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -{\@linterchainswfalse% -\@rinterchainswtrue% -\@yltrinormorinv{#2}{#3}{0}{0}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\@rinterchainswtrue% -\@linterchainswtrue% -\@yltrinormorinv{#2}{#3}{1}{-2}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi -\else -{\@rinterchainswfalse% -\@linterchainswtrue% -\@yltrinormorinv{#2}{#3}{1}{-4}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-684}\def\@@yli{0}\fi\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(1450,480)(-200,-180) - \iforigpt \put(-200,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `heptamethylene' origin: % - (0,0) ---> (200,180)}\fi% -\fi% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member b\relax -\@bdoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else\if\member B\relax -\@Bdoublebondtrue -\else\if\member c\relax%dummy -\else\if\member C\relax%dummy -\else\if\member d\relax%dummy -\else\if\member D\relax%dummy -\else\if\member e\relax%dummy -\else\if\member E\relax%dummy -\else\if\member f\relax%dummy -\else\if\member F\relax%dummy -\else - \expandafter\twoCH@@R\member//% - \set@fusion@heptameth% for all bonds -\fi\fi\fi\fi\fi\fi\fi\fi -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(0,0){\@@trinormorinv{#2}{#3}{0}{0}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member c\relax -\@adoublebondtrue -\else\if\member d\relax -\@bdoublebondtrue -\else\if\member C\relax -\@Adoublebondtrue -\else\if\member D\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(342,0){\@@trinormorinv{#2}{#3}{1}{-2}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member e\relax -\@adoublebondtrue -\else\if\member E\relax -\@Adoublebondtrue -\else\if\member f\relax -\@bdoublebondtrue -\else\if\member F\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% -\if@normorinvsw% inverse -\@wrongbdWafalse -\@wrongbdWdtrue -\else%normal -\@wrongbdWatrue -\@wrongbdWdfalse -\fi -\put(684,0){\@@trinormorinv{#2}{#3}{1}{-4}}}% -\end{picture}}% end of \@heptamethylene -\def\set@fusion@heptameth{% -\if@normorinvsw - \if\@@tmpa e\relax% - \putlratom{684}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e}% - \else\if\@@tmpa E\relax% - \putlratom{855}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E}% - \else\if\@@tmpa f\relax% - \putlratom{855}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{f}% - \else\if\@@tmpa F\relax% - \putlratom{1027}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{F}% - \else - \set@fusion@pentamethi - \fi\fi\fi\fi -\else - \if\@@tmpa e\relax% - \putlratom{684}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e}% - \else\if\@@tmpa E\relax% - \putlratom{855}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E}% - \else\if\@@tmpa f\relax% - \putlratom{855}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{f}% - \else\if\@@tmpa F\relax% - \putlratom{1027}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{F}% - \else - \set@fusion@pentameth - \fi\fi\fi\fi -\fi -}% end of the macro \set@fusion@heptameth -\def\octamethylene{% -\@ifnextchar[{\set@normaldirection\@octamethylene[@}{% -\set@normaldirection\@octamethylene[]}} -\def\octamethylenei{% -\@ifnextchar[{\set@inversedirection\@octamethylene[@}{% -\set@inversedirection\@octamethylene[]}} -\def\@octamethylene[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -{\@linterchainswfalse% -\@rinterchainswtrue% -\@yltrinormorinv{#2}{#3}{0}{0}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\@rinterchainswtrue% -\@linterchainswtrue% -\@yltrinormorinv{#2}{#3}{1}{-2}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi -\else -{\@rinterchainswtrue% -\@linterchainswtrue% -\@yltrinormorinv{#2}{#3}{1}{-4}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-684}\def\@@yli{0}\fi -\else -{\@rinterchainswfalse% -\@linterchainswtrue% -\@yldinormorinv{#2}{#3}{1}{-6}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-1026}\def\@@yli{0}\fi\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(1620,480)(-200,-180) - \iforigpt \put(-200,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `octamethylene' origin: % - (0,0) ---> (200,180)}\fi% -\fi% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member b\relax -\@bdoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else\if\member B\relax -\@Bdoublebondtrue -\else\if\member c\relax%dummy -\else\if\member C\relax%dummy -\else\if\member d\relax%dummy -\else\if\member D\relax%dummy -\else\if\member e\relax%dummy -\else\if\member E\relax%dummy -\else\if\member f\relax%dummy -\else\if\member F\relax%dummy -\else\if\member g\relax%dummy -\else\if\member G\relax%dummy -\else - \expandafter\twoCH@@R\member//% - \set@fusion@octameth% for all bonds -\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(0,0){\@@trinormorinv{#2}{#3}{0}{0}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member c\relax -\@adoublebondtrue -\else\if\member d\relax -\@bdoublebondtrue -\else\if\member C\relax -\@Adoublebondtrue -\else\if\member D\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(342,0){\@@trinormorinv{#2}{#3}{1}{-2}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member e\relax -\@adoublebondtrue -\else\if\member E\relax -\@Adoublebondtrue -\else\if\member f\relax -\@bdoublebondtrue -\else\if\member F\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(684,0){\@@trinormorinv{#2}{#3}{1}{-4}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member g\relax -\@adoublebondtrue -\else\if\member G\relax -\@Adoublebondtrue -\fi\fi}% -\if@normorinvsw% inverse -\@wrongbdWatrue -\@wrongbdWdfalse -\else% normal -\@wrongbdWafalse -\@wrongbdWdtrue -\fi -\put(1026,0){\@@dinormorinv{#2}{#3}{1}{-6}}}% -\end{picture}}% end of \@octamethylene -\def\set@fusion@octameth{% -\if@normorinvsw - \if\@@tmpa e\relax% - \putlratom{684}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e}% - \else\if\@@tmpa E\relax% - \putlratom{855}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E}% - \else\if\@@tmpa f\relax% - \putlratom{855}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{f}% - \else\if\@@tmpa F\relax% - \putlratom{1027}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{F}% - \else\if\@@tmpa g\relax% - \putlratom{1027}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{g}% - \else\if\@@tmpa G\relax% - \putlratom{1198}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{G}% - \else - \set@fusion@pentamethi - \fi\fi\fi\fi\fi\fi -\else - \if\@@tmpa e\relax% - \putlratom{684}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e}% - \else\if\@@tmpa E\relax% - \putlratom{855}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E}% - \else\if\@@tmpa f\relax% - \putlratom{855}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{f}% - \else\if\@@tmpa F\relax% - \putlratom{1027}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{F}% - \else\if\@@tmpa g\relax% - \putlratom{1027}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{g}% - \else\if\@@tmpa G\relax% - \putlratom{1198}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{G}% - \else - \set@fusion@pentameth - \fi\fi\fi\fi\fi\fi -\fi -}% end of the macro \set@fusion@octameth -\def\nonamethylene{% -\@ifnextchar[{\set@normaldirection\@nonamethylene[@}{% -\set@normaldirection\@nonamethylene[]}} - -\def\nonamethylenei{% -\@ifnextchar[{\set@inversedirection\@nonamethylene[@}{% -\set@inversedirection\@nonamethylene[]}} -\def\@nonamethylene[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -{\@linterchainswfalse% -\@rinterchainswtrue% -\@yltrinormorinv{#2}{#3}{0}{0}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\@rinterchainswtrue% -\@linterchainswtrue% -\@yltrinormorinv{#2}{#3}{1}{-2}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi -\else -{\@rinterchainswtrue% -\@linterchainswtrue% -\@yltrinormorinv{#2}{#3}{1}{-4}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-684}\def\@@yli{0}\fi -\else -{\@rinterchainswfalse% -\@linterchainswtrue% -\@yltrinormorinv{#2}{#3}{1}{-6}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-1026}\def\@@yli{0}\fi\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(1790,480)(-200,-180) - \iforigpt \put(-200,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `nonamethylene' origin: % - (0,0) ---> (200,180)}\fi% -\fi% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member b\relax -\@bdoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else\if\member B\relax -\@Bdoublebondtrue -\else\if\member c\relax%dummy -\else\if\member C\relax%dummy -\else\if\member d\relax%dummy -\else\if\member D\relax%dummy -\else\if\member e\relax%dummy -\else\if\member E\relax%dummy -\else\if\member f\relax%dummy -\else\if\member F\relax%dummy -\else\if\member g\relax%dummy -\else\if\member G\relax%dummy -\else\if\member h\relax%dummy -\else\if\member H\relax%dummy -\else - \expandafter\twoCH@@R\member//% - \set@fusion@nonameth% for all bonds -\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(0,0){\@@trinormorinv{#2}{#3}{0}{0}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member c\relax -\@adoublebondtrue -\else\if\member d\relax -\@bdoublebondtrue -\else\if\member C\relax -\@Adoublebondtrue -\else\if\member D\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(342,0){\@@trinormorinv{#2}{#3}{1}{-2}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member e\relax -\@adoublebondtrue -\else\if\member E\relax -\@Adoublebondtrue -\else\if\member f\relax -\@bdoublebondtrue -\else\if\member F\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(684,0){\@@trinormorinv{#2}{#3}{1}{-4}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member g\relax -\@adoublebondtrue -\else\if\member G\relax -\@Adoublebondtrue -\else\if\member h\relax -\@bdoublebondtrue -\else\if\member H\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% -\if@normorinvsw% inverse -\@wrongbdWafalse -\@wrongbdWdtrue -\else% normal -\@wrongbdWatrue -\@wrongbdWdfalse -\fi -\put(1026,0){\@@trinormorinv{#2}{#3}{1}{-6}}}% -\end{picture}}% end of \@nonamethylene -\def\set@fusion@nonameth{% -\if@normorinvsw - \if\@@tmpa h\relax% - \putlratom{1198}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{h}% - \else\if\@@tmpa H\relax% - \putlratom{1369}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{H}% - \else - \set@fusion@octameth - \fi\fi -\else - \if\@@tmpa h\relax% - \putlratom{1198}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{h}% - \else\if\@@tmpa H\relax% - \putlratom{1369}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{H}% - \else - \set@fusion@octameth - \fi\fi -\fi -}% end of the macro \set@fusion@nonameth -\def\decamethylene{% -\@ifnextchar[{\set@normaldirection\@decamethylene[@}{% -\set@normaldirection\@decamethylene[]}} -\def\decamethylenei{% -\@ifnextchar[{\set@inversedirection\@decamethylene[@}{% -\set@inversedirection\@decamethylene[]}} -\def\@decamethylene[#1]#2#3{% -\iniflag\iniatom% -\@reset@ylsw% -{\@linterchainswfalse% -\@rinterchainswtrue% -\@yltrinormorinv{#2}{#3}{0}{0}}% -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{0}\def\@@yli{0}\fi -\else -{\@rinterchainswtrue% -\@linterchainswtrue% -\@yltrinormorinv{#2}{#3}{1}{-2}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-342}\def\@@yli{0}\fi -\else -{\@rinterchainswtrue% -\@linterchainswtrue% -\@yltrinormorinv{#2}{#3}{1}{-4}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-684}\def\@@yli{0}\fi -\else -{\@rinterchainswtrue% -\@linterchainswtrue% -\@yltrinormorinv{#2}{#3}{1}{-6}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-1026}\def\@@yli{0}\fi -\else -{\@rinterchainswfalse% -\@linterchainswtrue% -\@yldinormorinv{#2}{#3}{1}{-8}}% -\fi -\if@ylsw \ifx\@@ylii\empty -\def\@@ylii{-1368}\def\@@yli{0}\fi\fi -\if@ylsw - \yl@shiftii=\@ylii - \yl@shifti=\@yli - \advance\yl@shiftii\@@ylii - \advance\yl@shifti\@@yli - \advance\yl@shiftii\yl@xdiff - \advance\yl@shifti\yl@ydiff - \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti) - \reset@yl@xydiff%1999/1/6 by S. Fujita -\else -\begin{picture}(1960,480)(-200,-180) - \iforigpt \put(-200,-180){\circle*{50}}% - \put(0,0){\circle{50}}% - \typeout{command `decamethylene' origin: % - (0,0) ---> (200,180)}\fi% -\fi% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member a\relax -\@adoublebondtrue -\else\if\member b\relax -\@bdoublebondtrue -\else\if\member A\relax -\@Adoublebondtrue -\else\if\member B\relax -\@Bdoublebondtrue -\else\if\member c\relax%dummy -\else\if\member C\relax%dummy -\else\if\member d\relax%dummy -\else\if\member D\relax%dummy -\else\if\member e\relax%dummy -\else\if\member E\relax%dummy -\else\if\member f\relax%dummy -\else\if\member F\relax%dummy -\else\if\member g\relax%dummy -\else\if\member G\relax%dummy -\else\if\member h\relax%dummy -\else\if\member H\relax%dummy -\else\if\member i\relax%dummy -\else\if\member I\relax%dummy -\else - \expandafter\twoCH@@R\member//% - \set@fusion@decameth% for all bonds -\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(0,0){\@@trinormorinv{#2}{#3}{0}{0}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member c\relax -\@adoublebondtrue -\else\if\member d\relax -\@bdoublebondtrue -\else\if\member C\relax -\@Adoublebondtrue -\else\if\member D\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(342,0){\@@trinormorinv{#2}{#3}{1}{-2}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member e\relax -\@adoublebondtrue -\else\if\member E\relax -\@Adoublebondtrue -\else\if\member f\relax -\@bdoublebondtrue -\else\if\member F\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(684,0){\@@trinormorinv{#2}{#3}{1}{-4}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member g\relax -\@adoublebondtrue -\else\if\member G\relax -\@Adoublebondtrue -\else\if\member h\relax -\@bdoublebondtrue -\else\if\member H\relax -\@Bdoublebondtrue -\fi\fi\fi\fi}% -\@wrongbdWatrue -\@wrongbdWdtrue -\put(1026,0){\@@trinormorinv{#2}{#3}{1}{-6}}}% -{\reset@double% -\@tfor\member:=#1\do{% -\if\member i\relax -\@adoublebondtrue -\else\if\member I\relax -\@Adoublebondtrue -\fi\fi}% -\if@normorinvsw% inverse -\@wrongbdWatrue -\@wrongbdWdfalse -\else% normal -\@wrongbdWafalse -\@wrongbdWdtrue -\fi -\put(1368,0){\@@dinormorinv{#2}{#3}{1}{-8}}}% -\end{picture}}% end \@decamethylene -\def\set@fusion@decameth{% -\if@normorinvsw - \if\@@tmpa h\relax% - \putlratom{1198}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{h}% - \else\if\@@tmpa H\relax% - \putlratom{1369}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{H}% - \else\if\@@tmpa i\relax% - \putlratom{1369}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{i}% - \else\if\@@tmpa I\relax% - \putlratom{1540}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{I}% - \else - \set@fusion@octameth - \fi\fi\fi\fi -\else - \if\@@tmpa h\relax% - \putlratom{1198}{103}{\@@tmpb}% % bond fused - \FuseWarning{-171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{h}% - \else\if\@@tmpa H\relax% - \putlratom{1369}{0}{\@@tmpb}% % bond fused - \FuseWarning{171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{H}% - \else\if\@@tmpa i\relax% - \putlratom{1369}{0}{\@@tmpb}% % bond fused - \FuseWarning{-171}{-103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{i}% - \else\if\@@tmpa I\relax% - \putlratom{1540}{103}{\@@tmpb}% % bond fused - \FuseWarning{171}{103}% - {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{I}% - \else - \set@fusion@octameth - \fi\fi\fi\fi -\fi% -}% end of the macro \set@fusion@decameth -\endinput -%% -%% End of file `methylen.sty'. diff --git a/Master/texmf-dist/tex/latex/xymtex/polymers.sty b/Master/texmf-dist/tex/latex/xymtex/polymers.sty deleted file mode 100644 index 4a73e25db83..00000000000 --- a/Master/texmf-dist/tex/latex/xymtex/polymers.sty +++ /dev/null @@ -1,231 +0,0 @@ -%% -%% This is file `polymers.sty', -%% generated with the docstrip utility. -%% -%% The original source files were: -%% -%% polymers.dtx (with options: `polymers') -%% -%% This is a generated file. -%% -%% Copyright 1996,1998 by Shinsaku Fujita -%% -%% This file is part of the XyMTeX system. -%% ======================================= -%% -%% Version 1.01 Released on August 16, 1996 -%% Version 1.02 Released on October 31, 1996 (private version) -%% Version 2.00 Released on December 25, 1998 -%% -%% Copyright (C) 1998 by Shinsaku Fujita, all rights reserved. -%% This style file is created for drawing chemical structural formulas -%% This style file is to be contained in the ``xymtex'' directory which -%% is an input directory for TeX. -%% -%% Copying of this file is authorized only if either -%% -%% (1) you make absolutely no changes to your copy, including name and -%% directory name -%% (2) if you do make changes, -%% (a) you name it something other than the names included in the -%% ``xymtex'' directory and -%% (b) you acknowledge the original name. -%% This restriction ensures that all standard styles are identical. -%% -%% ======================================= -%% -%% This file contains several codes modified from latex.tex (LaTeX2.09) -%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to -%% Copyright 1994 the LaTeX3 project and the individual authors (For further -%% copyright information see the file legal.txt of the LaTeX2e standard -%% distribution, and any other copyright indicated in this file.) -%% -%% File: polymers.dtx -%% \CharacterTable -%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z -%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z -%% Digits \0\1\2\3\4\5\6\7\8\9 -%% Exclamation \! Double quote \" Hash (number) \# -%% Dollar \$ Percent \% Ampersand \& -%% Acute accent \' Left paren \( Right paren \) -%% Asterisk \* Plus \+ Comma \, -%% Minus \- Point \. Solidus \/ -%% Colon \: Semicolon \; Less than \< -%% Equals \= Greater than \> Question mark \? -%% Commercial at \@ Left bracket \[ Backslash \\ -%% Right bracket \] Circumflex \^ Underscore \_ -%% Grave accent \` Left brace \{ Vertical bar \| -%% Right brace \} Tilde \~} -\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00} -\typeout{ -- Released December 25, 1998 by Shinsaku Fujita} -\def\j@urnalname{polymers} -\def\versi@ndate{December 25, 1998} -\def\versi@nno{ver2.00} -\def\copyrighth@lder{SF} % Shinsaku Fujita -\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>% -\space[\copyrighth@lder]} -\@ifundefined{setsixringv}{\input chemstr.sty\relax}{} -\@ifundefined{Westbond}{\input aliphat.sty\relax}{} -\@ifundefined{bzdrv}{\input carom.sty\relax}{} -\unitlength=0.1pt -\def\@forsemicol#1:=#2\do#3{% -%% \edef\@fortmp{#2}\ifx\@fortmp\@empty% - \expandafter\def\expandafter\@fortmp\expandafter{#2}% - \ifx\@fortmp\@empty% - \else% - \expandafter\@forl@@p#2;\@nil;\@nil\@@#1{#3}\fi} -\def\leftPMdelim#1{$\mathstrut #1$} -\def\leftpmdelim{\leftPMdelim{\biggm(}} -\def\rightPMdelim#1#2{% - $\mathstrut #1_{\mkern-5mu #2}$} -\def\rightpmdelim#1{\rightPMdelim{\biggm)}{#1}} -\def\leftPolymer#1#2{% -\begin{picture}(0,0)(0,0) -\putlatom{0}{0}{#2} -\putlatom{120}{0}{$#1$} -\end{picture}} -\def\leftpolymer#1{\leftPolymer{\biggm(}{#1}} -\def\rightPolymer#1#2#3{% -\begin{picture}(0,0)(0,0) -\putratom{0}{0}{#2} -\putratom{-150}{0}{% - $\mathstrut#1_{\mkern-2mu #3}$} -\end{picture}} -\def\rightpolymer#1#2{\rightPolymer{\biggm)}{#1}{#2}} -\def\leftsqrPolymer#1#2{% -\begin{picture}(0,0)(0,0) -\putlatom{0}{0}{#2} -\putlatom{120}{0}{$#1$} -\end{picture}} -\def\leftSqrpolymer#1{\leftsqrPolymer{\Biggm[}{#1}} -\def\rightsqrPolymer#1#2#3{% -\begin{picture}(0,0)(0,0) -\putratom{0}{0}{#2} -\putratom{-150}{0}{% - $\mathstrut #1_{#3}$} -\end{picture}} -\def\rightSqrpolymer#1#2{\rightsqrPolymer{\Biggm]}{#1}{#2}} -\def\lsqrdelimiter#1{% -\hbox{\vrule \@width\fboxrule -$\vcenter to#1{% -\hrule \@height\fboxrule \@width\fboxsep -\vfill -\hrule \@height\fboxrule \@width\fboxsep}$}} -\def\leftsqrpolymer#1{% - \leftsqrPolymer{\lsqrdelimiter{300\unitlength}}{#1}} -\def\rsqrdelimiter#1{% -\hbox{$\vcenter to#1{% -\hrule \@height\fboxrule \@width\fboxsep \vfill -\hrule \@height\fboxrule \@width\fboxsep}$\kern-\fboxrule -\vrule \@width\fboxrule\kern2pt}} -\def\rightsqrpolymer#1#2{% -\rightsqrPolymer{\rsqrdelimiter{300\unitlength}}{#1}{#2}} -\long\def\@sqrpolymer#1#2#3{% -\begingroup \fboxrule=#1 - \leavevmode\setbox\@tempboxa\hbox{#2}\@tempdima\fboxrule - \advance\@tempdima \fboxsep \advance\@tempdima \dp\@tempboxa - \@tempdimb=\wd\@tempboxa - \advance\@tempdimb by \fboxsep - \advance\@tempdimb by \fboxsep - \advance\@tempdimb by \fboxrule - \advance\@tempdimb by \fboxrule - \hbox{\lower \@tempdima\hbox - {\vbox{ - \hbox to\@tempdimb{% - \vrule \@height \fboxrule \@width\fboxsep\hfill - \vrule \@height \fboxrule \@width\fboxsep} - \nointerlineskip - \hbox{\vrule \@width \fboxrule \hskip\fboxsep - \vbox{\vskip\fboxsep \copy\@tempboxa\vskip\fboxsep}\hskip - \fboxsep\vrule \@width \fboxrule} - \nointerlineskip - \hbox to\@tempdimb{% - \vrule \@height \fboxrule \@width\fboxsep\hfill - \vrule \@height \fboxrule \@width\fboxsep}}}}% -\kern2pt\lower\@tempdima\hbox{\scriptsize$#3$}\endgroup} -\long\def\sqrpolymer#1#2{\@sqrpolymer{0.4pt}{#1}{#2}} -\long\def\Sqrpolymer#1#2{\@sqrpolymer{1pt}{#1}{#2}} -\long\def\mpolymer#1#2{% - \leavevmode\setbox\@tempboxa\hbox{#1}\@tempdima\fboxrule - \advance\@tempdima \fboxsep \advance\@tempdima \dp\@tempboxa - \hbox{\lower \@tempdima\hbox{\vbox{\hbox{\hskip\fboxsep% - $\left(\vcenter{\vskip\fboxsep \copy\@tempboxa\vskip\fboxsep}% - \right)_{#2}$}}}}} -\def\WestPbond{% -\begin{picture}(100,100)(0,0) -\put(-100,0){\Westbond} -\put(-60,0){\line(-1,0){90}} -\end{picture}} -\def\EastPbond{% -\begin{picture}(100,100)(0,0) -\put(100,0){\Eastbond} -\put(60,0){\line(1,0){90}} -\end{picture}} -\def\sbond{% -\begin{picture}(160,0)(0,0) -\put(0,33){\line(1,0){160}} -\end{picture}} -\newif\if@centbondsw \@centbondswfalse -\newif\if@centatswi \@centatswifalse -\newif\if@centatswii \@centatswiifalse -\def\polyethylene{\@ifnextchar[{\@polyethylene}{\@polyethylene[]}} -\def\@polyethylene[#1]#2#3{% - \begin{picture}(1100,600)(-400,-300)% - \iforigpt \put(-400,-300){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `polyethylene' origin: % - (\the\noshift,\the\noshift) ---> (400,300)}\fi% -\def\@@@temp{#1} -\ifx\@@@temp\empty\else -\@tfor\member:=#1\do{% - \expandafter\twoch@@r\member{}{}% - \ifcase\@@tmpa - \or \relax \putratom{47}{50}{\scriptsize\@@tmpb}% - \or \relax \putratom{347}{50}{\scriptsize\@@tmpb}% -\fi}\fi -\@forsemicol\member:=#2\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% - \expandafter\threech@r\@membera{}{}% - \ifcase\@tmpa \global\@centbondswtrue \put(20,0){\Eastbond}% - \or \global\@centatswitrue \putlratom{-40}{-33}{\@memberb}% - \or \global\@centatswiitrue \putlratom{260}{-33}{\@memberb}% -\fi\fi}% -\if@centatswi \else \putlratom{-40}{-33}{C}\fi -\if@centatswii \else \putlratom{260}{-33}{C}\fi -\if@centbondsw \else \put(70,0){\line(1,0){160}}\fi -\global\@centbondswfalse -\global\@centatswifalse -\global\@centatswiifalse -\gdef\numrepeated{x} -\@forsemicol\member:=#3\do{% -\ifx\member\empty\else -\expandafter\@m@mb@r\member;\relax% -\expandafter\threech@r\@membera{}{}% -\ifcase\@tmpa \gdef\numrepeated{\@memberb}% -\or\put(0,0){\Northbond}% -\or\put(0,0){\WestPbond}% -\or\put(0,0){\Southbond}% -\or\put(300,0){\Southbond}% -\or\put(300,0){\EastPbond}% -\or\put(300,0){\Northbond}% -\fi\fi}%end of ifcase -\put(-200,-33){\leftpmdelim} -\put(400,-33){\rightpmdelim{\numrepeated}} -\end{picture}}%end of macro polyethylene -\def\polystyrene{\@ifnextchar[{\@polystyrene}{\@polystyrene[]}} -\def\@polystyrene[#1]#2#3#4{% -\begin{picture}(1100,1200)(0,-640)% - \iforigpt \put(0,-640){\circle*{50}}% - \put(-\noshift,-\noshift){\circle{50}}% - \typeout{command `polystyrene' origin: % - (\the\noshift,\the\noshift) ---> (0,640)}\fi% -\begingroup \origptfalse -\put(0,0){\polyethylene[#1]{#2}{#3}}% -\put(700,0){\line(0,1){240}}% -\put(300,-646){\bzdrv{#4}}% -\endgroup -\end{picture}}%end of macro polystyrene -\endinput -%% -%% End of file `polymers.sty'. diff --git a/Master/texmf-dist/tex/latex/xymtex/xymtex.sty b/Master/texmf-dist/tex/latex/xymtex/xymtex.sty deleted file mode 100644 index e529da86c9a..00000000000 --- a/Master/texmf-dist/tex/latex/xymtex/xymtex.sty +++ /dev/null @@ -1,85 +0,0 @@ -% xymtex.sty -% Copyright (C) 1993, 1966, 1998 by Shinsaku Fujita, all rights reserved. -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 1.00} -% \typeout{ -- Released December 1, 1993 by Shinsaku Fujita} -% \typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 1.00a} -% \typeout{ -- Released May 22, 1996 by Shinsaku Fujita} -% \typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 1.02} -% \typeout{ -- Released October 31, 1998 by Shinsaku Fujita} -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{xymtex.sty} -% \def\versi@ndate{May 22, 1996} -% \def\versi@nno{ver1.00a} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% \def\j@urnalname{xymtex.sty} -% \def\versi@ndate{October 31, 1998} -% \def\versi@nno{ver1.02} -% \def\copyrighth@lder{SF} % Shinsaku Fujita -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% -% This file is a part of the macro package ``XyMTeX'' which has been -% designed for typesetting chemical structural formulas. -% -% This file is to be contained in the ``xymtex'' directory which is -% an input directory for TeX. It is a LaTeX optional style file and -% should be used only within LaTeX, because several macros of the file -% are based on LaTeX commands. -% -% For the review of XyMTeX, see -% (1) Shinsaku Fujita, ``Typesetting structural formulas with the text -% formatter TeX/LaTeX'', Computers and Chemistry, 18, 109--116 (1994). -% The following book deals with an application of TeX/LaTeX to -% preparation of manuscripts of chemical fields: -% (2) Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' -% Tokyo Kagaku Dozin, Tokyo (1993) [in Japanese]. -% (3) Shinskau Fujita, ``XyMTeX for drwoing chemical structural -% formulas'', TUGboat, 16(1), 80--88 (1995). -% -% Copying of this file is authorized only if either -% (1) you make absolutely no changes to your copy, including name and -% directory name; or -% (2) if you do make changes, -% (a) you name it something other than the names included in the -% ``xymtex'' directory and -% (b) you are requested to leave this notice intact. -% This restriction ensures that all standard styles are identical. -% -% Please report any bugs, comments, suggestions, etc. to: -% Shinsaku Fujita, -% Ashigara Research Laboratories, Fuji Photo Film Co., Ltd., -% Minami-Ashigara, Kanagawa-ken, 250-01, Japan. -% -% New address: -% Shinsaku Fujita, -% Department of Chemistry and Materials Technology, -% Kyoto Institute of Technology, \\ -% Matsugasaki, Sakyoku, Kyoto, 606 Japan -% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00} -\typeout{ -- Released December 25, 1998 by Shinsaku Fujita} -\def\j@urnalname{xymtex.sty} -\def\versi@ndate{December 25, 1998} -\def\versi@nno{ver2.00} -\def\copyrighth@lder{SF} % Shinsaku Fujita -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>\space% - [\copyrighth@lder]} - -\usepackage{epic} -\usepackage{chemstr} -\usepackage{carom} -\usepackage{hetarom} -\usepackage{hetaromh} -\usepackage{lowcycle} -\usepackage{ccycle} -\usepackage{hcycle} -\usepackage{aliphat} -\usepackage{locant} -\usepackage{polymers} -\usepackage{methylen} -\usepackage{fusering} - -\endinput - \ No newline at end of file diff --git a/Master/texmf-dist/tpm/xymtex.tpm b/Master/texmf-dist/tpm/xymtex.tpm deleted file mode 100644 index a5a278dc73e..00000000000 --- a/Master/texmf-dist/tpm/xymtex.tpm +++ /dev/null @@ -1,88 +0,0 @@ - - - - xymtex - Package - 2006/01/12 23:25:05 - - staszek - Typesetting chemical structures. - - unknown - 3175370 - - - -texmf-dist/tex/latex/xymtex/aliphat.sty -texmf-dist/tex/latex/xymtex/carom.sty -texmf-dist/tex/latex/xymtex/ccycle.sty -texmf-dist/tex/latex/xymtex/chemist.sty -texmf-dist/tex/latex/xymtex/chemstr.sty -texmf-dist/tex/latex/xymtex/fusering.sty -texmf-dist/tex/latex/xymtex/hcycle.sty -texmf-dist/tex/latex/xymtex/hetarom.sty -texmf-dist/tex/latex/xymtex/hetaromh.sty -texmf-dist/tex/latex/xymtex/locant.sty -texmf-dist/tex/latex/xymtex/lowcycle.sty -texmf-dist/tex/latex/xymtex/methylen.sty -texmf-dist/tex/latex/xymtex/polymers.sty -texmf-dist/tex/latex/xymtex/xymtex.sty -texmf-dist/tpm/xymtex.tpm - - -texmf-dist/doc/latex/xymtex/readme2.doc -texmf-dist/doc/latex/xymtex/readme2.jpn -texmf-dist/doc/latex/xymtex/xymadd.tex -texmf-dist/doc/latex/xymtex/xymman.sty -texmf-dist/doc/latex/xymtex/xymtex2.doc -texmf-dist/doc/latex/xymtex/xymtx200.dvi -texmf-dist/doc/latex/xymtex/xymtx200.tex -texmf-dist/doc/latex/xymtex/xymyl.tex - - -texmf-dist/source/latex/xymtex/aliphat.drv -texmf-dist/source/latex/xymtex/aliphat.dtx -texmf-dist/source/latex/xymtex/aliphat.ins -texmf-dist/source/latex/xymtex/carom.drv -texmf-dist/source/latex/xymtex/carom.dtx -texmf-dist/source/latex/xymtex/carom.ins -texmf-dist/source/latex/xymtex/ccycle.drv -texmf-dist/source/latex/xymtex/ccycle.dtx -texmf-dist/source/latex/xymtex/ccycle.ins -texmf-dist/source/latex/xymtex/chemist.drv -texmf-dist/source/latex/xymtex/chemist.dtx -texmf-dist/source/latex/xymtex/chemist.ins -texmf-dist/source/latex/xymtex/chemstr.drv -texmf-dist/source/latex/xymtex/chemstr.dtx -texmf-dist/source/latex/xymtex/chemstr.ins -texmf-dist/source/latex/xymtex/doins.bat -texmf-dist/source/latex/xymtex/fusering.drv -texmf-dist/source/latex/xymtex/fusering.dtx -texmf-dist/source/latex/xymtex/fusering.ins -texmf-dist/source/latex/xymtex/hcycle.drv -texmf-dist/source/latex/xymtex/hcycle.dtx -texmf-dist/source/latex/xymtex/hcycle.ins -texmf-dist/source/latex/xymtex/hetarom.drv -texmf-dist/source/latex/xymtex/hetarom.dtx -texmf-dist/source/latex/xymtex/hetarom.ins -texmf-dist/source/latex/xymtex/hetaromh.drv -texmf-dist/source/latex/xymtex/hetaromh.dtx -texmf-dist/source/latex/xymtex/hetaromh.ins -texmf-dist/source/latex/xymtex/locant.drv -texmf-dist/source/latex/xymtex/locant.dtx -texmf-dist/source/latex/xymtex/locant.ins -texmf-dist/source/latex/xymtex/lowcycle.drv -texmf-dist/source/latex/xymtex/lowcycle.dtx -texmf-dist/source/latex/xymtex/lowcycle.ins -texmf-dist/source/latex/xymtex/methylen.drv -texmf-dist/source/latex/xymtex/methylen.dtx -texmf-dist/source/latex/xymtex/methylen.ins -texmf-dist/source/latex/xymtex/polymers.drv -texmf-dist/source/latex/xymtex/polymers.dtx -texmf-dist/source/latex/xymtex/polymers.ins -texmf-dist/source/latex/xymtex/xymtex2.jpn - - Package/xymtex - - - -- cgit v1.2.3