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authorKarl Berry <karl@freefriends.org>2007-01-02 22:42:25 +0000
committerKarl Berry <karl@freefriends.org>2007-01-02 22:42:25 +0000
commit0a17be9af1c1cd8e5452befa92ff920a401c47fb (patch)
treeb6ffc2205d70f5572d0c3e4e7965f69b7e3ea87b /Master/texmf-dist/source/latex/xymtex/hetaromh.dtx
parent119aceca4b577e5c6428d2683c92b1eb3e2f1c61 (diff)
remove xymtex (again), it is nonfree
git-svn-id: svn://tug.org/texlive/trunk@3102 c570f23f-e606-0410-a88d-b1316a301751
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-% \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}
-%</driver>
-% \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 *
-% **********************************
-%
-% <Conventions for bond-setting>
-%
-% \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}
-%
-% <Six-membered heterocycles (horizontal)>
-%
-% 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}
-%
-% <Five-membered heterocycles (horizontal)>
-%
-% 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}
-%
-% <Six-Six fused heterocycles (horizontal)>
-%
-% 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}
-%
-% <Six-Five fused heterocycles (horizontal)>
-%
-% 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}
-%
-% <Building units>
-%
-% \sixunith \@sixunith
-% \fiveunith \@fiveunith
-% \fiveunithi \@fiveunithi
-% \end{verbatim}
-%
-% \begin{verbatim}
-%
-% <Three-membered rings>
-%
-% \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
-%</hetaromh>
-% \end{macrocode}
-% \end{macro}
-%
-% \Finale
-%
-\endinput
- \ No newline at end of file