diff options
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG | 8 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/README | 69 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf | 6 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf | bin | 248283 -> 248183 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex | 8 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf | 8 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf | bin | 413109 -> 415542 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex | 335 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf | bin | 123964 -> 123685 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex | 4 | ||||
| -rw-r--r-- | Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf | 24 |
11 files changed, 257 insertions, 205 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG index 130f3154e14..b8ecc306c02 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG +++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG @@ -1,6 +1,12 @@ ******************************************************************************* - Changelog of mcf2graph software package by Akira Yamaji 2016-02-14 + Changelog of mcf2graph software package by Akira Yamaji 2016-03-05 ******************************************************************************* +[ver. 3.83 / 2016-03-05] + -change option parameter name + sw_logout => sw_auxout + sw_MOLfile => sw_MOLout + -update MCF syntax manual + [ver. 3.82 / 2016-02-14] -add new commands ~~,^^,'`,:> -update MCF syntax manual diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README index f50389d66f8..d9ff8db8463 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/README +++ b/Master/texmf-dist/doc/metapost/mcf2graph/README @@ -1,16 +1,16 @@ ******************************************************************************** - mcf2graph : Convert Molecular Coding Format to graphics with Metafont/Metapost + mcf2graph : Convert Molecular Coding Format to graphics with METAFONT/METAPOST Author : Akira Yamaji - version : 3.82 2016-02-14 + version : 3.83 2016-03-05 E-mail : mcf2graph@gmail.com Located at : http://www.ctan.org/pkg/mcf2graph ******************************************************************************** 1. Introduction - Molecular Coding Format(MCF) is new linear notation represent chmical + Molecular Coding Format(MCF) is new linear notation represent chmical structure diagram. This 'Coding' is named from coding(programing) technique like adressing,grouping,macro,etc. There are no Meta language commands in MCF. - mcf2graph.mf(metapost/metafont macro) convert MCF file to graphics file + mcf2graph.mf(METAFONT/METAPOST macro) convert MCF file to graphics file (pk font/PNG/SVG/EPS) or MDL MOL file(V2000). 2. The distribution of software @@ -42,61 +42,30 @@ %----------------------------------------------------------------------- input mcf2graph.mf; % input main system %-- preamble ----------------------------------------------------------- - font_wd#:=30mm#; % font width - font_ht#:=20mm#; % font height - max_bond_width:=0.2; % max fond length/font width + sw_auxout:=1; % aux(information) file output on > + sw_numberA:=0; % numbering atom off > + sw_numberB:=0; % numbering bond off > + sw_expand:=0; % substituent expand mode off > + sw_start_vector:=0; % start vector output off > Gloval setting + sw_info_formula:=1; % molecular formula output on > + sw_info_weight:=1; % molecular weight output on > + sw_font_frame:=0; % font frame off > + font_wd#:=60mm#; % font width > + font_ht#:=40mm#; % font height > %-- molecular definition ----------------------------------------------- beginfont("EN:Acetamiprid") % Molecular name 1 + sw_font_frame:=1; % > Local setting MCf(<30,Ph,4\,!,NH,!,!~dr,N,!,CN) % Molecular Coding Format - endfont + endfont % beginfont("EN:Imidacloprid") % Molecular name 2 - MCf(<30,Ph,1:N,6:/Cl,3\,!, % Molecular Coding Format + sw_start_vector:=1; % > Gloval setting + MCf(<30,Ph,1:N,6:/Cl,3\,!, % Molecular Coding Format |,?5,1:N,3:NH,2\\,!,NO2) endfont %----------------------------------------------------------------------- bye -5. How to use mcf2graph with TeX(LaTeX) - Large number of molecular structures can be gathering by using TEX. - mcf_example.tex is example of using LaTeX. - - \documentclass{article} - \usepackage[dvipdfmx]{graphicx}% Change option depend on your tex system - ********************************************************** - % insert part of info.aux file - %------------------------------------------------------------------------- - \INFO{{F:MCF_SOC2}{C:0}{EN:Acetamiprid}}% - %------------------------------------------------------------------------- - % or insert next line - \input mcf_exa_soc-info.aux % filename of souce file : mcf_exa_soc.mf - -6. How to use mcf2graph with luamplib(LuaLaTeX) - It is possible to write MCF in LaTeX text with luamplib. - mcf_mplib_exa.tex is example of using luamplib(LuaLaTeX). - -\documentclass{article} -%------------------------------------------------------------------------------- -\mplibcodeinherit{enable}% -\mplibverbatim{enable}% -\everymplib{if unknown Ph1: input mcf2graph.mf; fi}% -%------------------------------------------------------------------------------- - ********************************************************** -\begin{mplibcode} - %------------------------------------------------------------------- - font_wd:=100mm; font_ht:=50mm; % preamble - %------------------------------------------------------------------- - beginfont("EN:Acetamiprid") % Molecular name 1 - MCf(<30,Ph,4\,!,NH,!,!~dr,N,!,CN)% % Molecular Coding Format - endfont - beginfont("EN:Imidacloprid") % Molecular name 2 - MCf(<30,Ph,1:N,6:/Cl,3\,!, % Molecular Coding Format - |,?5,1:N,3:NH,2\\,!,NO2) - endfont - %------------------------------------------------------------------- -\end{mplibcode} -%---------------------------------------------------------------------------- - -7. License +5. License Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf index 3432440a3f3..9593ce89724 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2016.01.16 +% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2016.03.05 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% input mcf2graph.mf; %------------------------------------------------------------------------- @@ -7,7 +7,7 @@ font_wd#:=35mm#; font_ht#:=25mm#; max_bond_width:=0.15; %------------------------------------------------------------------------- -sw_logout:=1; +sw_auxout:=1; sw_frame:=0; sw_atom_frame:=0; sw_numberB:=0; @@ -16,7 +16,7 @@ sw_start_vector:=0; %%%%sw_info_formula:=1; %%%%sw_info_weight:=1; %%%%sw_checklist:=1; -%%%%sw_MOLfile:=1; +%%%%sw_MOLout:=1; %*************************************************************************** beginfont("EN:Acetamiprid") MCf(<30,Ph,4\,!,NH,!,!~dr,N,!,CN) diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf Binary files differindex 0620c09a39c..c4075007512 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex index 74100ffce45..5520b2c7291 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2016.2.06 +% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2016.2.27 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage{graphicx} @@ -47,11 +47,7 @@ \ifnum\tnum=5 \\ \tnum=0\relax \fi% } %------------------------------------------------------------------------------- -\def\INFO#1{% - \edef\MOLnameE{}% - \@tfor\@temp:=#1\do{\mol@sel{\@temp}}% - \put@char% -}% +\def\INFO#1{\@tfor\@temp:=#1\do{\mol@sel\@temp}\put@char}% %------------------------------------------------------------------------------- \makeatother %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf index 8b05f557ab1..bccfa6d0588 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2016.02.14 +% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2016.03.05 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% input mcf2graph.mf; %------------------------------------------------------------------------ @@ -7,7 +7,7 @@ font_wd#:=60mm#;% font width font_ht#:=35mm#;% font height max_bond_width:=0.18; %------------------------------------------------------------------------ -sw_logout:=0; +sw_auxout:=0; sw_mol_frame:=0; sw_expand:=0; sw_start_vector:=0; @@ -21,7 +21,7 @@ beginfont("NO:1","EN:Chlorophyll a","MW:893.49","FM:C55H72MgN4O5") {,``1,?5,$(2,5)d,4:N,3\,54~dl,|,?5,$(2,4)d,5:N, -2\,54~dl,|,?5,2=d,5:N,-2\~dl,54,|,?5,5=d,5:N,-2\~dl,, -1*,24,/*COOMe^15,72,//O,,}, - 4\`1.45,Mg,&17,-1*,&11~vb,-1*,&23~vb, + 4\`1.48,Mg,&17,-1*,&11~vb,-1*,&23~vb, @(2,9,15,20~zf)/Me,8:/Et,14\,!~dr, 21*,-6~wf,!2,//O,!,O,!2,!~dl,|,!13,@(1,5,9,13)/Me, ) @@ -98,7 +98,7 @@ endfont %*********************************************************************** beginfont("EN:change bond 3") ratio_chain_ring:=1; - MCf(<30,!5,@(3~bd^-45`2,5~ov^45`2)/Me) + MCf(<30,!5,$(2,4)dr,@(3~bd^-45`2,5~ov^45`2)/Me) endfont %*********************************************************************** beginfont("EN:change bond length1") diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf Binary files differindex 8be62682353..ea09ae88d63 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex index 638ec41081b..047b10e3da7 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex @@ -1,13 +1,13 @@ -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format manual by Akira Yamaji 2016.02.14 +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +% Molecular Coding Format manual by Akira Yamaji 2016.03.05 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage[dvipdfmx]{graphicx} %%%%\usepackage[pdftex]{graphicx} %%%%\usepackage{epstopdf} -\topmargin=-20mm -\textheight=25.5cm -\textwidth=16.8cm +\topmargin=-18mm +\textheight=255mm +\textwidth=168mm \oddsidemargin=0mm \unitlength=1mm% \makeatletter @@ -22,44 +22,75 @@ \def\MCFtitle#1{\framebox{\sf No.\the\tempnum}\hspace{2mm}\bf #1} %---------------------------------------------------------------------------- \def\MCFstru{% - \rlap{\makebox(77,3.5)[t]{\makebox(68,43.27){\@strufont\char\fontnum}}}% + \rlap{\makebox(72,3.5)[t]{\makebox(68,42.3){\@strufont\char\fontnum}}}% \advance\fontnum\@ne\relax}% \def\MCFstructure{% - \makebox(77,3.5)[t]{\frame{\makebox(68,43.27){\@strufont\char\fontnum}}}% + \makebox(72,3.5)[t]{\frame{\makebox(68,42.3){\@strufont\char\fontnum}}}% \advance\fontnum\@ne\relax\advance\tempnum\@ne\relax}% +%-------------------------------------------------------------------- +\def\mol@sel#1{% +\if#1\empty\relax\else% + \edef\@fst{\expandafter\@fst@param#1;}% + \edef\@sec{\expandafter\@sec@param#1;}% + \ifx\@fst\@F\edef\MOLfile{\@sec}\fi% + \ifx\@fst\@C\edef\MOLchar{\@sec}\fi% + \ifx\@fst\@EN\edef\MOLnameE{\@sec}\fi% + \ifx\@fst\@NO\edef\MOLnum{\@sec}\fi + \ifx\@fst\@MW\edef\MOLmw{\@sec}\fi + \ifx\@fst\@FMc\edef\CALfm{\@sec}\fi +\fi}% +\def\@F{F}\def\@C{C}\def\@EN{EN}\def\@NO{NO}\def\@MW{MW}\def\@FMc{FMc}% +\def\@fst@param#1:#2;{#1}% +\def\@sec@param#1:#2;{#2}% +\def\put@char{% + \begin{picture}(120,45)% + \put(10,35){\bf [\MOLnum] \MOLnameE}% + \put(16,30){\tt MW:\MOLmw}% + \put(16,25){\tt FM:\CALfm}% + \put(0,0){\font\@strufont=\MOLfile\relax% + \hbox{\@strufont\char\MOLchar}}% + \end{picture}% +} +%---------------------------------------------------------------------------- +\def\INFO#1{\@tfor\@temp:=#1\do{\mol@sel\@temp}\put@char}% %---------------------------------------------------------------------------- \begin{document} \begin{center} {\LARGE\bf Molecular Coding Format manual}\vspace{3mm}\\ Author : Akira Yamaji \quad Date : \today\\ - Located at : http://www.ctan.org/pkg/mcf2graph\\ -\end{center} -\hspace{8mm}% + Located at : http://www.ctan.org/pkg/mcf2graph\vspace{3mm}\\ \begin{minipage}{145mm} \quad Molecular Coding Format(MCF) is new linear notation represent chmical structure diagram. This 'Coding' is named from coding(programing) technique like adressing,grouping,macro,etc. There are no Meta language commands in MCF. mcf2graph.mf(metapost/metafont macro) convert MCF file to graphics file pk font,PNG,SVG,EPS or MDL MOL file(V2000). \\ -\end{minipage}\vspace{3mm}\\ +\end{minipage}\\ +\end{center} \linethickness{0.08mm}% \noindent% %---------------------------------------------------------------------------- -{\bf (Molecular definition file)}\vspace{1mm}\\ -\begin{minipage}[t][118mm]{180mm} +{\bf (Molecular definition file)} \begin{verbatim} %------------------------------------------------------------------------- input mcf2graph.mf; % input macro %------------------------------------------------------------------------- -sw_font_frame:=0; % font frame off % -font_wd#:=60mm#; % font width % Gloval setting -font_ht#:=40mm#; % font height % +sw_auxout:=1; % aux(information) file output on > +sw_numberA:=0; % numbering atom off > +sw_numberB:=0; % numbering bond off > +sw_expand:=0; % substituent expand mode off > +sw_start_vector:=0; % start vector output off >Gloval setting +sw_info_formula:=1; % molecular formula output on > +sw_info_weight:=1; % molecular weight output on > +sw_font_frame:=0; % font frame off > +font_wd#:=60mm#; % font width > +font_ht#:=40mm#; % font height > %------------------------------------------------------------------------- beginfont("NO:1","EN:Chlorophyll a","MW:893.49") % begin font(information) %----------------------------------------------------------------------- - sw_font_frame:=1; % font frame on % - font_wd#:=120mm#; % font width % Local setting - font_ht#:=80mm#; % font height % + sw_font_frame:=1; % font frame on > + font_wd#:=120mm#; % font width set > Local setting + font_ht#:=80mm#; % font height set > %----------------------------------------------------------------------- MCf( % begin MCF <54,{,``1,?5,$(2,5)d,4:N,3\,54~dl, % @@ -67,7 +98,7 @@ beginfont("NO:1","EN:Chlorophyll a","MW:893.49") % begin font(information) -2\,54~dl,|,?5,2=d,5:N,-2\~dl,54, % |,?5,5=d,5:N,-2\~dl,, % -1*,24,/*COOMe^15,72,//O,,}, % - 4\`1.45,Mg,&17,-1*,&11~vb,-1*,&23~vb, % + 4\`1.48,Mg,&17,-1*,&11~vb,-1*,&23~vb, % @(2,9,15,20~zf)/Me,8:/Et,14\,!~dr, % 21*,-6~wf,!2,//O,!,O,!2,!~dl, % |,!13,@(1,5,9,13)/Me, % @@ -76,23 +107,75 @@ endfont % end font %------------------------------------------------------------------------ bye \end{verbatim} -\end{minipage}\\ %---------------------------------------------------------------------------- -{\bf (Molecular structure diagram)}\vspace{3mm}\\ +{\bf (Molecular structure diagram output)}\vspace{3mm}\\ \frame{\makebox(100,44){\@strufont\char0}}\vspace{6mm}\\ %---------------------------------------------------------------------------- -{\bf (Molecular information output)}\vspace{3mm}\\ -\begin{minipage}[t][12mm]{180mm} +\newpage% +%---------------------------------------------------------------------------- +\noindent% +{\bf (Molecular information output)} \begin{verbatim} \INFO{{F:mcf_man_soc}{C:0}{MWc:893.48962}{FMc:C55H72MgN4O5} {NO:1}{EN:Chlorophyll a}{MW:893.49}}% \end{verbatim} -\end{minipage}\\ -'filename'-info.aux : for use in \TeX{ },it takes over filename, char number, molecular information,etc.\\ -F:filename C:char number,MWc:molecular weight calculated, FMc:molecular formula calculated\\ -NO:serial number, EN:english name, MW:molecular weight from literature data\\ +'filename'-info.aux : for use in \TeX, it takes over filename, +char number, molecular information,etc.\\ +F:filename C:char number,MWc:molecular weight calculated, +FMc:molecular formula calculated\\ +NO:serial number, EN:english name, +MW:molecular weight from literature data\vspace{5mm}\\ +%---------------------------------------------------------------------------- +{\bf (LaTeX file example)} +%############################################################################ +\begin{verbatim} %---------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\documentclass[a4paper]{article} +\usepackage{graphicx} +\pagestyle{empty} +\makeatletter% +%-------------------------------------------------------------------- +\def\mol@sel#1{% +\if#1\empty\relax\else% + \edef\@fst{\expandafter\@fst@param#1;}% + \edef\@sec{\expandafter\@sec@param#1;}% + \ifx\@fst\@F\edef\MOLfile{\@sec}\fi% + \ifx\@fst\@C\edef\MOLchar{\@sec}\fi% + \ifx\@fst\@EN\edef\MOLnameE{\@sec}\fi% + \ifx\@fst\@NO\edef\MOLnum{\@sec}\fi + \ifx\@fst\@MW\edef\MOLmw{\@sec}\fi + \ifx\@fst\@FMc\edef\CALfm{\@sec}\fi +\fi}% +\def\@F{F}\def\@C{C}\def\@EN{EN}\def\@NO{NO}\def\@MW{MW}\def\@FMc{FMc}% +\def\@fst@param#1:#2;{#1}% +\def\@sec@param#1:#2;{#2}% +\def\put@char{% + \begin{picture}(120,45)% + \put(10,35){\bf [\MOLnum] \MOLnameE}% + \put(16,30){\sf MW:\MOLmw}% + \put(16,25){\sf FM:\CALfm}% + \put(0,0){\font\@strufont=\MOLfile\relax% + \hbox{\@strufont\char\MOLchar}}% + \end{picture}% +} +%-------------------------------------------------------------------- +\def\INFO#1{\@tfor\@temp:=#1\do{\mol@sel\@temp}\put@char}% +\makeatother +%-------------------------------------------------------------------- +\begin{document} +\unitlength=1mm% +\INFO{{F:mcf_man_soc}{C:0}{MWc:893.48962}{FMc:C55H72MgN4O5}% +{NO:1}{EN:Chlorophyll a}{MW:893.49}}% +\end{document} +%-------------------------------------------------------------------- +\end{verbatim}% +%############################################################################ +\INFO{{F:mcf_man_soc}{C:0}{MWc:893.48962}{FMc:C55H72MgN4O5}% +{NO:1}{EN:Chlorophyll a}{MW:893.49}}% +\newpage +%---------------------------------------------------------------------------- +\noindent +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Chain(1)} \begin{verbatim} plus(+):anticlockwize,minus(-):clockwize @@ -105,7 +188,7 @@ plus(+):anticlockwize,minus(-):clockwize \MCFstructure \vspace{5mm}\\ %---------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Chain(2)} \begin{verbatim} ! : take value(60 or -60) depend on @@ -118,7 +201,7 @@ plus(+):anticlockwize,minus(-):clockwize \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Chain(3)} \begin{verbatim} !6 : !,!,!,!,!,! @@ -131,7 +214,7 @@ plus(+):anticlockwize,minus(-):clockwize \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Jump to atom} \begin{verbatim} 3* : Jump to A3 @@ -144,7 +227,7 @@ plus(+):anticlockwize,minus(-):clockwize \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Jump to atom and branch bond} \begin{verbatim} 3\ : 3*,0 @@ -156,7 +239,7 @@ plus(+):anticlockwize,minus(-):clockwize \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Connect bond} \begin{verbatim} &5 : Connect to A5 @@ -168,7 +251,7 @@ plus(+):anticlockwize,minus(-):clockwize \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Ring} \begin{verbatim} six membered ring @@ -182,7 +265,7 @@ six membered ring \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Rotate current angle} \begin{verbatim} <angle : rotate current angle @@ -193,7 +276,7 @@ six membered ring \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Change bond type (1)} \begin{verbatim} ~bond : change bond @@ -208,7 +291,7 @@ six membered ring \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Change bond type (2)} \begin{verbatim} Bn=bond type : change bond type at Bn @@ -221,19 +304,21 @@ six membered ring \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Change bond type (3)} \begin{verbatim} - bd : broad single - ov : over line + bd : broad single ov : over line + $(2,4)dr : 2=dr,4=dr + + <30,!5,$(2,4)dr, + @(3~bd^-45`2,5~ov^45`2)/Me - <30,!5,@(3~bd^-45`2,5~ov^45`2)/Me \end{verbatim} \end{minipage} \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Change bond length (1)} \begin{verbatim} Bn`length : change bond length at Bn @@ -244,7 +329,7 @@ Bn`length : change bond length at Bn \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Change bond length (2)} \begin{verbatim} ``length : change all bond length after @@ -255,7 +340,7 @@ Bn`length : change bond length at Bn \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Change ring length} \begin{verbatim} ?n`length : change ring length @@ -266,7 +351,7 @@ Bn`length : change bond length at Bn \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Change atom (1)} \begin{verbatim} Insert hetero atom @@ -277,7 +362,7 @@ Insert hetero atom \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Change atom (2)} \begin{verbatim} 2:O : change A2 C to O @@ -290,7 +375,7 @@ Insert hetero atom \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Change atom (3)} \begin{verbatim} 2:N : change A2 C to N @@ -301,7 +386,7 @@ Insert hetero atom \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Change atom (brock address 1)} \begin{verbatim} | : divide brock @@ -312,7 +397,7 @@ Insert hetero atom \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Change atom (brock address 2)} \begin{verbatim} || : reset brock adress @@ -323,7 +408,7 @@ Insert hetero atom \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Change atom (absolute address)} \begin{verbatim} #2:N : change A#2 C to N @@ -336,7 +421,7 @@ Insert hetero atom \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Change atom (relative address)} \begin{verbatim} -2:N : change A(-2) C to N @@ -349,7 +434,7 @@ Insert hetero atom \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Fuse ring (attached 1 bond)} \begin{verbatim} ?6,3=?5 : fuse ?5 at B3 @@ -362,7 +447,7 @@ Insert hetero atom \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Fuse multi ring (attached 1 bond)} \begin{verbatim} @@ -374,7 +459,7 @@ Insert hetero atom \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Fuse ring (attached 2 bond)} \begin{verbatim} (4,11)=?6[4] : fuse 4/6 ring to B11..B4 @@ -389,22 +474,22 @@ MCd(1,.6)( 1,0)(<30,?6,3=?6,(11,4)=?4[2]) \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Fuse ring (attached 3,4 bond)} \begin{verbatim} (16,4)=?6[3] : fuse 3/6 ring to B16..B4 (16,4)=?5[2] : fuse 2/5 ring to B16..B4 (21,3)=?6[2] : fuse 2/6 ring to B21..B3 -MCd(1,.55)( 0, 0)(?6,$(3,10)?6,(16,4)=?6[3]) -MCd(1,.55)(.43,1)(?6,$(3,10)?6,(16,4)=?5[2]) -MCd(1,.53)(1,0)(<30,?6,$(2,10,15)?6,(21,3)=?6[2]) +MCd(1,.5)( 0, 0)(?6,$(3,10)?6,(16,4)=?6[3]) +MCd(1,.5)(.43,1)(?6,$(3,10)?6,(16,4)=?5[2]) +MCd(1,.5)(1,0)(<30,?6,$(2,10,15)?6,(21,3)=?6[2]) \end{verbatim} \end{minipage} \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Spiro ring} \begin{verbatim} 4*,?5 : add ?5(5 membered ring) at A4 @@ -417,7 +502,7 @@ An* : jump to An \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Branch bond (1)} \begin{verbatim} 2\ : 2*,0 4*\ : 4*,0~wf @@ -429,7 +514,7 @@ MCf(<30,!8,2\,!,4*\,!,6\*,!,8\\,!) \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Branch bond (2)} \begin{verbatim} 2\~dr : 2*,0~dr @@ -443,7 +528,7 @@ MCf(<-30,!6,2\~dr,!,4\`1.5,!,6\^15,-60) \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Insert substituent(1)} \begin{verbatim} MCf(<30, @@ -456,7 +541,7 @@ MCf(<30, \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Insert substituent(2)} \begin{verbatim} / : single // : double @@ -469,7 +554,7 @@ MCf(<30,!,//O,!,/*H,!,*/H,!,/?3,!,**?3,!) \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Insert substituent(3)} \begin{verbatim} ~,^,`,> : change type,angle,length,enviroment @@ -484,7 +569,7 @@ MCf(<30,``1, \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Add substituent(1)} \begin{verbatim} sw_numberA:=1; numberA_end:=12; @@ -497,11 +582,11 @@ MCf(<30,!11, \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Add substituent(2)} \begin{verbatim} -~,^,`,> : change type,angle,length,enviroment - of substituent +~,^,` : change type,angle,length + of substituent MCf(<30,?6, @(3`2^30,3~wf,4~zf,6~wf^-30,6~zf^30)/H) @@ -510,11 +595,11 @@ MCf(<30,?6, \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Add substituent(3)} \begin{verbatim} -~,^,`,> : change type,angle,length,enviroment - of substituent +~,^,` : change type,angle,length + of substituent MCF(<30,!7`1, @(2,3)/*Me`2^30,5:*/Pr>lr,7:*/Pr>rl) @@ -523,7 +608,7 @@ MCF(<30,!7`1, \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Chain strech direction environment (1)} \begin{verbatim} >hz : horizontal enviroment (default) @@ -538,7 +623,7 @@ MCF(<30,!7`1, \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Chain strech direction environment (2)} \begin{verbatim} >lr : left-right enviroment @@ -553,7 +638,7 @@ MCF(<30,!7`1, \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Chain strech direction environment (3)} \begin{verbatim} >45 : fixed angle enviroment @@ -566,7 +651,7 @@ MCF(<30,!7`1, \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Change atom and Substituent} \begin{verbatim} NH,SOO : inset hetero atom and substituent @@ -579,7 +664,7 @@ NH,SOO : inset hetero atom and substituent \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Change color} \begin{verbatim} @(5)green : change color of A5 green @@ -592,13 +677,13 @@ $(3)red : change color of B3 red \end{verbatim} \end{minipage} %%%%\MCFstructure % for Metafont -\makebox(77,3.5)[t]{\frame{\makebox(68,43.27)% +\makebox(72,3.5)[t]{\frame{\makebox(68,42.3)% {\includegraphics{mcf_man_soc-031.eps}}}}% for dvipdfmx %%%%{\includegraphics[width=30mm]{mcf_man_soc-031.png}}}}% for pdfLaTeX \advance\fontnum\@ne\relax\advance\tempnum\@ne\relax% \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Chain start multiple characters} \begin{verbatim} if chain start multi charactor string, @@ -612,7 +697,7 @@ use !0 instead of ! \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{User definition} \begin{verbatim} iBuOH : user defined substructure @@ -625,7 +710,7 @@ iBuOH : user defined substructure \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Inline definition} \begin{verbatim} Insert user defined substructure @@ -637,7 +722,7 @@ Insert user defined substructure \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Font size} \begin{verbatim} beginfont("EN:Caffeine") @@ -652,7 +737,7 @@ Insert user defined substructure \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Max ratio bond/width length} \begin{verbatim} max_bond_width:=0.10; @@ -666,7 +751,7 @@ Insert user defined substructure \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Ratio thickness/bond length} \begin{verbatim} ratio_thickness_bond:= 0.005; @@ -680,7 +765,7 @@ MCd(1,.6)(1, .5)(<30,Ph) \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Offset thickness of bond} \begin{verbatim} beginfont() offset_thickness#:=0pt#; @@ -694,7 +779,7 @@ MCd(1,.3)(1, .5)(<30,Ph) endfont \MCFstru\MCFstru\MCFstructure% \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Ratio char/bond thickness} \begin{verbatim} ratio_char_bond:=1.0; @@ -708,7 +793,7 @@ MCd(1,.6)(1, .5)(<30,?6,5:O,2:NH) \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Ratio bondgap/bond length} \begin{verbatim} ratio_bondgap_bond:= 0.10; @@ -722,7 +807,7 @@ MCd(1,.6)(1, .5)(<30,Ph) \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Offset of doublebond gap} \begin{verbatim} beginfont() offset_bond_gap#:=0.0pt#; @@ -736,7 +821,7 @@ MCd(1,.3)(1, .5)(<30,Ph) endfont \MCFstru\MCFstru\MCFstructure% \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Ratio atom/bond length} \begin{verbatim} ratio_atom_bond:= 0.25; @@ -750,7 +835,7 @@ MCd(1,.6)(1, .5)(<30,?6,@(2,5)O) \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Offset of atom width} \begin{verbatim} beginfont() offset_atom#:=0.0pt#; @@ -764,7 +849,7 @@ MCd(1,.3)(1, .5)(<30,Ph,@(2,4,6)N) endfont \MCFstru\MCFstru\MCFstructure% \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Ratio wedge/bond length} \begin{verbatim} ratio_wedge_bond:=0.10; @@ -778,7 +863,7 @@ MCd(1,.6)(1, .5)(<30,?6,5:*/Me) \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Offset of wedge width} \begin{verbatim} beginfont("EN:Offset_wedge") @@ -793,7 +878,7 @@ MCd(1,.3)(1, .5)(<30,?6,5:*/Me) endfont \MCFstru\MCFstru\MCFstructure% \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Ratio font atom gap/atom length} \begin{verbatim} ratio_atomgap_atom:=0.0; @@ -807,7 +892,7 @@ MCd(1,.6)(1, .5)(<30,?6,@(2,5)O) \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Ratio chain/ring length} \begin{verbatim} ratio_chain_ring:= 0.4; @@ -821,7 +906,7 @@ MCd(1,.6)(1, .5)(<30,?6,5:/Et) \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Ratio zebra gap/bond length} \begin{verbatim} ratio_zebragap_bond:=0.06; @@ -835,7 +920,7 @@ MCd(1,.6)(1, .5)(<30,Ph,5:/*Me`1) \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Margin left and right} \begin{verbatim} margin_left_right:=0mm; @@ -849,7 +934,7 @@ MCd(1,1)(0.5,0.1)(<30,CH3,!0,!17,CH3) \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Margin top and bottom} \begin{verbatim} margin_top_bottom:=0mm; @@ -863,7 +948,7 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Switch numbering atom} \begin{verbatim} numberA_start:=3; numberA_end:=8; @@ -878,7 +963,7 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Switch numbering bond} \begin{verbatim} numberB_start:=3; numberB_end:=8; @@ -893,7 +978,7 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Switch substituent off} \begin{verbatim} @@ -907,7 +992,7 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Switch all bond single} \begin{verbatim} @@ -921,7 +1006,7 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Switch start vector} \begin{verbatim} sw_start_vector:=1; @@ -934,7 +1019,7 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Switch font frame} \begin{verbatim} sw_font_frame:=1; @@ -947,7 +1032,7 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Switch molecular frame} \begin{verbatim} @@ -961,7 +1046,7 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Switch atom frame} \begin{verbatim} @@ -975,7 +1060,7 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Switch solid mode} \begin{verbatim} @@ -989,7 +1074,7 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Switch Expand} \begin{verbatim} @@ -1003,7 +1088,7 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Function MCd (draw)} \begin{verbatim} MCd(a,b)(c,d)(...) @@ -1018,7 +1103,7 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Function MCf (fit draw)} \begin{verbatim} MCf(...) : MCd(1,1)(0.5,0.5)(...) @@ -1031,7 +1116,7 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Local setting} \begin{verbatim} beginfont() @@ -1045,7 +1130,7 @@ beginfont() MCd(1,.4)( 1,.5)(Ph) endfont \MCFstru\MCFstru\MCFstructure% \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Global setting} \begin{verbatim} sw_mol_frame:=1; % <<== Global setting @@ -1057,7 +1142,7 @@ beginfont() MCd(1,.4)( 1,.5)(Ph) endfont \MCFstru\MCFstru\MCFstructure% \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Output molecular information} \begin{verbatim} beginfont() sw_info_weight:=sw_info_formula:=1; @@ -1072,7 +1157,7 @@ FMc:calculated molecular formula \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Output additional information} \begin{verbatim} beginfont("EN:Caffeine","CAS:58-08-2") @@ -1087,7 +1172,7 @@ CAS:CAS number *:default output \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Example(1) Ampicillin} \begin{verbatim} @@ -1100,7 +1185,7 @@ CAS:CAS number *:default output \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Example(2) Cholesterol} \begin{verbatim} @@ -1113,7 +1198,7 @@ CAS:CAS number *:default output \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Example(3) alfa-Tocopherol} \begin{verbatim} @@ -1125,7 +1210,7 @@ CAS:CAS number *:default output \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Example(4) Colchicine} \begin{verbatim} <30,Ph,@(1,2,6)/OMe,|,-4=?7, @@ -1136,7 +1221,7 @@ CAS:CAS number *:default output \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Example(5) Lycorine} \begin{verbatim} @@ -1148,7 +1233,7 @@ CAS:CAS number *:default output \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Example(6) Gibberellin} \begin{verbatim} <12,?6`1.3,3=?5,9=?7,12\^160`1.6,&8, @@ -1161,7 +1246,7 @@ CAS:CAS number *:default output \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Example(7) Capsaicin} \begin{verbatim} <30,Ph, @@ -1172,7 +1257,7 @@ CAS:CAS number *:default output \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Example(8) Quinine} \begin{verbatim} <30,Ph,3=Ph,7:N,6:/OMe, @@ -1185,7 +1270,7 @@ CAS:CAS number *:default output \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Example(9) Atoropin} \begin{verbatim} <-30,O,!,//O,!,!,Ph, @@ -1197,7 +1282,7 @@ CAS:CAS number *:default output \MCFstructure \vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{90mm} +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Example(10) Paclitaxel} \begin{verbatim} ?6,5=d,3*,{,``1,36,45,45,45,45,},, @@ -1213,7 +1298,3 @@ CAS:CAS number *:default output \MCFstructure %----------------------------------------------------------------------------- \end{document} -- -\end{document} -d{document} -nd{document} diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf Binary files differindex 6c9756b64af..7ecb0c5f8c9 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex index e88784ae5a7..be65894e6fb 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2016.1.16 +% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2016.3.05 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass{article} %------------------------------------------------------------------------------ @@ -7,7 +7,7 @@ \mplibcodeinherit{enable}% \mplibverbatim{enable}% \everymplib{if unknown Ph1: input mcf2graph.mf; mp_log_name:="temp-info.aux"; - sw_logout:=sw_info_lenx:=sw_info_weight:=sw_info_formula:=1; fi}% + sw_auxout:=sw_info_lenx:=sw_info_weight:=sw_info_formula:=1; fi}% \everyendmplib{write EOF to mp_log_name;}% %------------------------------------------------------------------------------ \makeatletter% diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf index 9f5ef880e50..2b79e0b9c5c 100644 --- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf +++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% mcf2graph ver 3.82 Copyright (c) 2013-2016 Akira Yamaji +% mcf2graph ver 3.83 Copyright (c) 2013-2016 Akira Yamaji % % Permission is hereby granted, free of charge, to any person obtaining a copy of this software % and associated documentation files (the "Software"), to deal in the Software without restriction, @@ -30,7 +30,7 @@ % Set output checklist : mpost -s ahlength=2 FILENAME %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% tracingstats:=1; -message " This is mcf2graph ver 3.8 2016.2"; +message " This is mcf2graph ver 3.8 2016.3"; %------------------------------------------------------------------------------------------------- pair posB[],posA[],pairT,Ls,Le,pairA; numeric angB[],angA[],br_ang[],sB[],eB[],f_FON[],atom_w[],atom_h[],atom_d[],strA[],stkB[],stkA[], @@ -41,8 +41,8 @@ path pA,pB,pC,pT; string info[],tblA[],com_str[],calc_formula,mp_log_name,mol_name,mol_formula,calc_weight_str; picture atom_font[],chem_structure,temp_picture; %------------------------------------------------------------------------------------------------- -sw_numberA:=sw_numberB:=sw_mol_frame:=sw_logout:=sw_solid:=sw_expand:=sw_start_vector:=0; -char_num:=str_cnt:=proc_end:=sw_font_frame:=sw_atom_frame:=sw_checklist:=sw_MOLfile:=0; +sw_numberA:=sw_numberB:=sw_mol_frame:=sw_auxout:=sw_solid:=sw_expand:=sw_start_vector:=0; +char_num:=str_cnt:=proc_end:=sw_font_frame:=sw_atom_frame:=sw_checklist:=sw_MOLout:=0; sw_info_lenx:=sw_info_leny:=sw_info_weight:=sw_info_formula:=sw_subst_off:=sw_bond_single:=0; sw_info_file:=sw_info_char:=1; numberA_start:=numberB_start:=1; numberA_end:=numberB_end:=4095; @@ -54,7 +54,7 @@ if known green: f_MP:=1; if ahangle=0: def shipit = enddef; % No image file elseif ahangle=1: outputformat:="png"; hppp:=vppp:=0.1; % PNG format elseif ahangle=2: outputformat:="svg"; % SVG format - elseif ahangle=3: sw_MOLfile:=1; def shipit = enddef; % MDL Molefile on + elseif ahangle=3: sw_MOLout:=1; def shipit = enddef; % MDL Molefile on fi outputtemplate:="%j-%3c."&outputformat; def beginchar(text s)= beginfig(char_num) enddef; def endchar = endfig enddef; @@ -88,7 +88,7 @@ def_com(-4000)(_term,_jp_atom,_jp_atom_abs,_jp_bond,_cyc,_cyc_sB,_cyc_eB,_set_li def_com(1)(si,dl,dr,dm,tm,wf,wb,bd,zf,zb,ov,dt,no,ar,vf,vb,wv,nl); %------------------------------------------------------------------------------------------------- def parameter_list= - sw_checklist,sw_numberA,sw_numberB,sw_mol_frame,sw_logout,sw_solid,sw_expand,sw_MOLfile, + sw_checklist,sw_numberA,sw_numberB,sw_mol_frame,sw_auxout,sw_solid,sw_expand,sw_MOLout, sw_start_vector,sw_atom_frame,sw_font_frame,sw_subst_off,sw_bond_single, margin_left_right,margin_top_bottom,ratio_atom_bond,ratio_thickness_bond,ratio_char_bond, ratio_chain_ring,offset_atom,offset_atom#,max_bond_width,ratio_bondgap_bond,ratio_zebra_black, @@ -117,10 +117,10 @@ enddef; %------------------------------------------------------------------------------------------------- def endfont= if sw_font_frame=1: AUX(0,0)(draw_frame(font_wd,font_ht,(0,0),0.2pt);) fi - if (sw_logout=1)or(sw_checklist=1)or(sw_MOLfile=1): mol_check; fi - if sw_logout=1: logfile_out; fi + if (sw_auxout=1)or(sw_checklist=1)or(sw_MOLout=1): mol_check; fi + if sw_auxout=1: auxfile_out; fi if sw_checklist=1: checklist_out; fi - if sw_MOLfile=1: MOL_out; fi + if sw_MOLout=1: MOLfileout; fi if f_beginchar=1: char_num:=char_num+1; currentpicture:=chem_structure; chem_structure:=nullpicture; endchar; fi @@ -310,7 +310,7 @@ def MCd(expr RW,RH)(expr FW,FH)(text s)= stkA[0]:=stkB[0]:=stkL[0]:=stkM[0]:=strAT:=f_lineT:=f_lenT:=f_envT:=f_rotT:=0; eB[0]:=1; com_str[0]:=""; lineT:=si; str_cnt:=2000; posA[0]:=posB[0]:=posB[1]:=(0,0); if (sw_numberA>=1)or(sw_numberB>=1): ratio_atom_bond:=0.25; fi - if (sw_expand=1)or(sw_MOLfile=1): expand_set; fi + if (sw_expand=1)or(sw_MOLout=1): expand_set; fi ''(0)(s,(_term,0)); proc_bond_atom(1); cntA_skeleton:=cntA; cntB_skeleton:=cntB; if cntP>0: ps_get(1); fi font_use_check; @@ -548,7 +548,7 @@ enddef; vardef fit_zero(expr n)=if n<=9: "00" elseif n<=99: "0" fi enddef; def info_c(expr sw,c,cc)= if sw=1: &"{"&c&":"&cc&"}" fi enddef; def info_n(expr sw,c,n)= if sw=1: &"{"&c&":"&decimal(n)&"}" fi enddef; -def logfile_out= +def auxfile_out= printf "\INFO{" info_c(sw_info_file,"F",jobname) info_n(sw_info_char,"C",char_num) info_n(sw_info_lenx,"Lx",len_x) info_n(sw_info_leny,"Ly",len_y) @@ -798,7 +798,7 @@ def checklist_out= message "%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%"; enddef; %------------------------------------------------------------------------------------------------ -def MOL_out= +def MOLfileout= mp_log_name:=jobname&"-"&fit_zero(char_num)&decimal(char_num)&"-"&mol_name&".mol"; printf ""; printf " -MCFtoMOL- "&fixed_l(20)(info[1]); printf ""; printf fdr(3)(cntA)&fdr(3)(cntB)&" 0 0 0 0 0 0 0 0999 V2000"; |