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authorKarl Berry <karl@freefriends.org>2016-03-06 01:00:40 +0000
committerKarl Berry <karl@freefriends.org>2016-03-06 01:00:40 +0000
commitdecf15de43d216e512ad6f7bfd7e803655a2e407 (patch)
tree1c20198b6fcc926c856dd53e73f5a3aad7c04883 /Master
parent595da194c5b1e8f3ccb476f24723ee45070d1956 (diff)
mcf2graph (5mar16)
git-svn-id: svn://tug.org/texlive/trunk@39945 c570f23f-e606-0410-a88d-b1316a301751
Diffstat (limited to 'Master')
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG8
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/README69
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf6
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdfbin248283 -> 248183 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex8
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf8
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdfbin413109 -> 415542 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex335
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdfbin123964 -> 123685 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex4
-rw-r--r--Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf24
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
index 0620c09a39c..c4075007512 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
Binary files differ
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,&#5,
-1*,24,/*COOMe^15,72,//O,&#1,},
- 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
index 8be62682353..ea09ae88d63 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
Binary files differ
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,&#5, %
-1*,24,/*COOMe^15,72,//O,&#1,}, %
- 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,},&#5,
@@ -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
index 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
Binary files differ
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";