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authorKarl Berry <karl@freefriends.org>2015-08-03 22:03:30 +0000
committerKarl Berry <karl@freefriends.org>2015-08-03 22:03:30 +0000
commit6173294c8dccb7500fabf74417b1005a43375248 (patch)
tree370947339d4c31189131eedda0b63f88b900cf9e
parent1537e6d91a27ed0dda1f54c21031f800f1179a71 (diff)
mcf2graph (3aug15)
git-svn-id: svn://tug.org/texlive/trunk@38032 c570f23f-e606-0410-a88d-b1316a301751
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/README27
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdfbin255216 -> 255342 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex41
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdfbin218677 -> 218682 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdfbin91079 -> 107562 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex132
-rw-r--r--Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf22
7 files changed, 125 insertions, 97 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README
index c7ed270341e..b22359edfdf 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 graphic with Metafont/Metapost
+********************************************************************************
+ mcf2graph : Convert Molecular Coding Format to graphics with Metafont/Metapost
Author : Akira Yamaji
- version : 3.53 / 2015-07-30
+ version : 3.54 / 2015-08-03
E-mail : akira.yamaji5@gmail.com
Located at : http://mirror.ctan.org/pkg/graphics/mcf2graph
Home page : http://molecoding.cocolog-nifty.com/blog/
-*******************************************************************************
+********************************************************************************
1. Introduction
Molecular Coding Format(MCF) is new linear notation represent chmical
structure diagram. This 'Coding' is named from coding(programing) technique
- like adressing,grouping,macro. There are no commands of Meta language in MCF.
+ like adressing,grouping,macro. There are no Meta language commands in MCF.
mcf2graph.mf(metapost/metafont macro) convert MCF file to graphic file
(pk font/PNG/SVG/EPS) or MDL MOL file(V2000).
The software,MCF manual,TeX example can get from authors web site.
@@ -23,12 +23,12 @@
( 5) mcf_man_soc-032.eps No.32 EPS(with color) file of (4)
( 6) mcf_manual.pdf PDF of (3) (used LaTeX,dvipdfmx)
( 7) mcf_example.tex LaTeX example,
- Make 'mcf_exa_soc-info.log' before typeset
+ Make 'mcf_exa_soc-info.aux' before typeset
mpost -s ahangle=0 mcf_exa_soc.mf
( 8) mcf_exa_soc.mf Molecular difinition file for mcf_example.tex
( 9) mcf_example.pdf PDF of (7) (used LaTeX,dvipdfmx)
- (10) mcf_mplib_exa.tex LuaLaTeX example, use package luamplib.sty,fancyvrv.sty
- (11) mcf_example.pdf PDF of (10) (used LuaLaTeX)
+ (10) mcf_mplib_exa.tex LuaLaTeX example, use package luamplib,fancyvrv.sty
+ (11) mcf_example.pdf PDF of (10) typeset with LuaTeX(LuaLaTeX)
3. How to use mcf2graph with Metapost
( 1) mpost -s ahangle=1 FILENAME output PNG file. (default value is eps)
@@ -58,15 +58,13 @@
\documentclass[a4paper]{article}
\usepackage[dvipdfmx]{graphicx}% Change option depend on your tex system
- % insert part of info LOG file
+ % insert part of info.aux file
%-------------------------------------------------------------------------
- \MOLinfo{EN:Acetamiprid}{:}{:}{:}%
- {:}{:}{:}{:}%
- {:}{:}{:}{:}%
+ \MOLinfo{EN:Acetamiprid}{:}{:}{:}{:}{:}{:}{:}{:}{:}{:}{:}%
\MCFinfo{MCF_SOC2}{0}{MCF_SOC2-000.eps}{419.14972}{145.32037}{159.04236}{12}{0}{}%
%-------------------------------------------------------------------------
% or insert next line
- \input mcf_exa_soc-info.log % filename of souce file : mcf_exa_soc.mf
+ \input mcf_exa_soc-info.aux % filename of souce file : mcf_exa_soc.mf
6. License
Permission is hereby granted, free of charge, to any person obtaining a copy
@@ -91,4 +89,5 @@
ver. 3.50 / 2015-07-11 first version uploaded to ctan.
ver. 3.51 / 2015-07-19 '?6`2' can use as '{,``2,?6,}'
ver. 3.52 / 2015-07-20 '!4`2' can use as '{,``2,!4,}'
- ver. 3.53 / 2015-07-29 support LuaLaTeX(MPlib)
+ ver. 3.53 / 2015-07-29 support luamplib(LuaLaTeX)
+ ver. 3.54 / 2015-08-03 maximum number of MOLinfo can be changed
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
index 19041dde5f8..94878b06240 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 b16fe054707..28bf937f457 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 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format file for mcf_examples.tex by A.Yamaji 2015.7.25
+% Molecular Coding Format file for mcf_examples.tex by A.Yamaji 2015.8.3
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
\usepackage{graphicx}
@@ -24,35 +24,35 @@
\if#1\empty\relax\else%
\edef\@first{\expandafter\@first@param#1;}%
\edef\@second{\expandafter\@second@param#1;}%
- \ifx\@first\@EN@ \edef\MOL@nameE{\@second}\fi%
- \ifx\@first\@JN@ \edef\MOL@nameJ{\@second}\fi%
- \ifx\@first\@NO@ \edef\MOL@number{\@second}\fi%
- \ifx\@first\@CAS@ \edef\MOL@CAS{\@second}\fi%
- \ifx\@first\@MW@ \edef\MOL@MW{\@second}\fi%
- \ifx\@first\@FM@ \edef\MOL@fomura{\@second}\fi%
- \ifx\@first\@USE@ \edef\MOL@use{\@second}\fi%
- \ifx\@first\@XLogP@ \edef\MOL@XLogP{\@second}\fi%
- \ifx\@first\@EXA@ \edef\MOL@extA{\@second}\fi%
- \ifx\@first\@EXB@ \edef\MOL@extB{\@second}\fi%
+ \ifx\@first\@EN@ \edef\MOLnameE{\@second}\fi%
+ \ifx\@first\@JN@ \edef\MOLnameJ{\@second}\fi%
+ \ifx\@first\@NO@ \edef\MOLnumber{\@second}\fi%
+ \ifx\@first\@CAS@ \edef\MOLcas{\@second}\fi%
+ \ifx\@first\@MW@ \edef\MOLmw{\@second}\fi%
+ \ifx\@first\@FM@ \edef\MOLfomura{\@second}\fi%
+ \ifx\@first\@USE@ \edef\MOLuse{\@second}\fi%
+ \ifx\@first\@XLogP@ \edef\MOLXLogP{\@second}\fi%
+ \ifx\@first\@EXA@ \edef\MOLextA{\@second}\fi%
+ \ifx\@first\@EXB@ \edef\MOLextB{\@second}\fi%
\fi%
}%
%-------------------------------------------------------------------------------
\def\@first@param#1:#2;{#1}\def\@second@param#1:#2;{#2}%
-\def\MOLinfo#1#2#3#4#5#6#7#8#9{%
\def\@EN@{EN}\def\@JN@{JN}\def\@CAS@{CAS}\def\@NO@{NO}\def\@MW@{MW}\def\@FM@{FM}%
\def\@USE@{USE}\def\@XLogP@{XLogP}\def\@EXA@{EXA}\def\@EXB@{EXB}%
-\edef\MOL@nameE{}\edef\MOL@nameJ{}\edef\MOL@number{}\edef\MOL@CAS{}\edef\MOL@MW{}%
-\edef\MOL@fomura{}\edef\MOL@use{}\edef\MOL@XLogP{}\edef\MOL@extA{}\edef\MOL@extB{}%
-\mol@sel{#1}\mol@sel{#2}\mol@sel{#3}\mol@sel{#4}\mol@sel{#5}\mol@sel{#6}%
-\mol@sel{#7}\mol@sel{#8}\mol@sel{#9}\MOLaux}%
-\def\MOLaux#1#2#3{\mol@sel{#1}\mol@sel{#2}\mol@sel{#3}}%
+\def\MOL@info@aux#1#2#3{\mol@sel{#1}\mol@sel{#2}\mol@sel{#3}}%
+\def\MOLinfo#1#2#3#4#5#6#7#8#9{%
+ \edef\MOLnameE{}\edef\MOLnameJ{}\edef\MOLnumber{}\edef\MOLcas{}\edef\MOLmw{}%
+ \edef\MOLfomura{}\edef\MOLuse{}\edef\MOLXLogP{}\edef\MOLextA{}\edef\MOLextB{}%
+ \mol@sel{#1}\mol@sel{#2}\mol@sel{#3}\mol@sel{#4}\mol@sel{#5}\mol@sel{#6}%
+ \mol@sel{#7}\mol@sel{#8}\mol@sel{#9}\MOL@info@aux}%
%--------------------------------------------------------------------------------
\def\@stru#1[#2]{\font\@strufont=#1\relax\hbox{\@strufont\char#2}}%
\def\MCFinfo#1#2#3#4#5#6#7#8#9{%
\unitlength=0.01mm\relax \@tempcnta=3200\relax \@tempcntb=3800\relax%
\begin{picture}(\@tempcntb,\@tempcnta)%
\advance\@tempcnta -300\relax%
- \put(20,\@tempcnta){\tiny\bf [\the\fontnum] \MOL@nameE}%
+ \put(20,\@tempcnta){\tiny\bf [\the\fontnum] \MOLnameE}%
%---------------------------------------------------------------------------
% for METAFONT
\put( 0,0){\makebox(\@tempcntb,\@tempcnta){\@stru{#1}[#2]}}%
@@ -63,10 +63,11 @@
\advance\fontnum\@ne\relax\advance\tnum\@ne\relax%
\ifnum\tnum=5 \\ \tnum=0\relax \fi%
}%
+\makeatother
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\begin{document}
{\hspace{20mm} \LARGE\bf Molecular Coding Format examples \hspace{10mm} }%
-{\footnotesize\bf by Akira Yamaji 2015.7.25} \vspace{5mm}\\
+{\footnotesize\bf by Akira Yamaji 2015.8.3} \vspace{5mm}\\
\fontnum=1%
\noindent%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
@@ -74,7 +75,7 @@
%%%%%%%%% or \input 'filename'-info.log %%%%%%%%%%%%%%%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%------------------------------------------------------------------------
-\input mcf_exa_soc-info.log
+\input mcf_exa_soc-info.aux
%------------------------------------------------------------------------
\end{document}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
index c7c575c6835..4ecb6e7f43e 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_mplib_exa.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
index 2c32d0ac78c..4f2d4f2fe71 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 ba0d89e3ad9..b90ce3a9d9a 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
@@ -1,9 +1,51 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% MCF Lualatex(luamplib) Example by A.Yamaji 2015.7.30
+% MCF luamplib(LuaLaTeX) Example by A.Yamaji 2015.8.3
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass{article}
\usepackage{luamplib}
\usepackage{fancyvrb}
+\def\tempaux{temp_file.aux}%
+%-------------------------------------------------------------------------------
+\everymplib{verbatimtex \leavevmode etex; input mcf2graph.mf; sw_logout:=1;
+ mp_log_name:="temp-info.aux"; input \tempaux;}%
+\everyendmplib{write EOF to mp_log_name;}%
+%-------------------------------------------------------------------------------
+\makeatletter%
+\newdimen \MOLwidth%
+%-------------------------------------------------------------------------------
+\def\mol@sel#1{%
+ \if#1\empty\relax\else%
+ \edef\@first{\expandafter\@first@param#1;}%
+ \edef\@second{\expandafter\@second@param#1;}%
+ \ifx\@first\@EN@ \edef\MOLnameE{\@second}\fi%
+ \ifx\@first\@JN@ \edef\MOLnameJ{\@second}\fi%
+ \ifx\@first\@NO@ \edef\MOLnumber{\@second}\fi%
+ \ifx\@first\@CAS@ \edef\MOLcas{\@second}\fi%
+ \ifx\@first\@MW@ \edef\MOLmw{\@second}\fi%
+ \ifx\@first\@FM@ \edef\MOLfomura{\@second}\fi%
+ \ifx\@first\@USE@ \edef\MOLuse{\@second}\fi%
+ \ifx\@first\@XLogP@ \edef\MOLXLogP{\@second}\fi%
+ \ifx\@first\@EXA@ \edef\MOLextA{\@second}\fi%
+ \ifx\@first\@EXB@ \edef\MOLextB{\@second}\fi%
+ \fi%
+}%
+%-------------------------------------------------------------------------------
+\def\@first@param#1:#2;{#1}\def\@second@param#1:#2;{#2}%
+\def\@EN@{EN}\def\@JN@{JN}\def\@CAS@{CAS}\def\@NO@{NO}\def\@MW@{MW}\def\@FM@{FM}%
+\def\@USE@{USE}\def\@XLogP@{XLogP}\def\@EXA@{EXA}\def\@EXB@{EXB}%
+\def\MOL@info@aux#1#2#3{\mol@sel{#1}\mol@sel{#2}\mol@sel{#3}}%
+\def\MOLinfo#1#2#3#4#5#6#7#8#9{% %%%% max item number = 12 %%%%
+ \edef\MOLnameE{}\edef\MOLnameJ{}\edef\MOLnumber{}\edef\MOLcas{}\edef\MOLmw{}%
+ \edef\MOLfomura{}\edef\MOLuse{}\edef\MOLXLogP{}\edef\MOLextA{}\edef\MOLextB{}%
+ \mol@sel{#1}\mol@sel{#2}\mol@sel{#3}\mol@sel{#4}\mol@sel{#5}\mol@sel{#6}%
+ \mol@sel{#7}\mol@sel{#8}\mol@sel{#9}\MOL@info@aux}%
+%--------------------------------------------------------------------------------
+\def\MCFinfo#1#2#3#4#5#6#7#8#9{\MOLwidth#4pt\relax}%
+\def\MOLcaption#1#2{\input temp-info.aux\relax\advance\MOLwidth -#1\relax%
+\llap{\makebox[\MOLwidth][l]{\raisebox{#2}%
+{\sf NO.\MOLnumber{ }\MOLnameE{ }\tiny (MW:\MOLmw)}}}}%
+\makeatother%
+%------------------------------------------------------------------------------------
\pagestyle{empty}
\topmargin=-25mm
\oddsidemargin=0mm
@@ -12,16 +54,11 @@
\unitlength=1mm
%------------------------------------------------------------------------------------
\begin{document}
-%
-{\LARGE MCF example for LuaLaTeX(luamplib) }%
- \hspace{20mm}by Akira Yamaji 2015.7.30\vspace{8mm}\\
-%
-\everymplib{verbatimtex \leavevmode etex; input mcf2graph.mf; input temp_file.aux;}%
+{\LARGE MCF example for luamplib(LuaLaTeX) }%
+ \hspace{20mm}by Akira Yamaji 2015.8.3\vspace{8mm}\\
%------------------------------------------------------------------------------------
-\rlap{\raisebox{35mm}{No.1 Chlorophyll a}}%
-\begin{VerbatimOut}{temp_file.aux}
- font_wd:=100mm;
- font_ht:=50mm;
+\begin{VerbatimOut}{\tempaux}
+ font_wd:=100mm; font_ht:=50mm;
beginfont("NO:1","EN:Chlorophyll a","MW:893.49")
MCf(^^54,
{,``1,?5,$(2,5)d,4:N,3\,54~dl,?5,$(2,4)d,5:N,
@@ -33,14 +70,12 @@
)
endfont
\end{VerbatimOut}
-\begin{mplibcode}\end{mplibcode}%
-\hspace{8mm}%
+\begin{mplibcode}\end{mplibcode}
+\MOLcaption{0mm}{35mm}\hspace{8mm}%
%----------------------------------------------------------------------------
-\rlap{\raisebox{38mm}{No.2 Limonin}}%
-\begin{VerbatimOut}{temp_file.aux}
- font_wd:=60mm;
- font_ht:=40mm;
- beginfont("NO:2","EN:Limonin")
+\begin{VerbatimOut}{\tempaux}
+ font_wd:=60mm; font_ht:=40mm;
+ beginfont("NO:2","EN:Limonin","MW:470.51")
MCf(^^30,
?6,$(-3,-4)??6,-5=??3,-2=wf,-1=wb,6=??5,-4=??6,-5=wf,
@(13,15,17,20,25)O,@(3,12,21)//O,
@@ -49,13 +84,12 @@
)
endfont
\end{VerbatimOut}
-\begin{mplibcode}\end{mplibcode}\vspace{8mm}\\%
+\begin{mplibcode}\end{mplibcode}%
+\MOLcaption{0mm}{43mm}\vspace{8mm}\\%
%----------------------------------------------------------------------------
-\rlap{\raisebox{25mm}{No.3 beta-Carotene}}%
-\begin{VerbatimOut}{temp_file.aux}
- font_wd:=90mm;
- font_ht:=30mm;
- beginfont("NO:3","EN:beta-Carotene")
+\begin{VerbatimOut}{\tempaux}
+ font_wd:=90mm; font_ht:=30mm;
+ beginfont("NO:3","EN:beta-Carotene","MW:536.87")
MCf(^^30,
?6,3:d,@(3,5^35,5^-35)/Me,
4\,!18,$(1,3,5,7,9,11,13,15,17)dr,@(3,7,12,16)/Me,
@@ -63,13 +97,12 @@
)
endfont
\end{VerbatimOut}
-\begin{mplibcode}\end{mplibcode}\hspace{8mm}%
+\begin{mplibcode}\end{mplibcode}%
+\MOLcaption{0mm}{25mm}\hspace{8mm}%
%----------------------------------------------------------------------------
-\rlap{\raisebox{25mm}{No.4 Gibberellin}}%
-\begin{VerbatimOut}{temp_file.aux}
-font_wd:=50mm;
-font_ht:=40mm;
-beginfont("NO:4","EN:Gibberellin");
+\begin{VerbatimOut}{\tempaux}
+font_wd:=50mm; font_ht:=40mm;
+beginfont("NO:4","EN:Gibberellin","MW:346.37");
MCf(
^^12,?6`1.3,3=??5,9=??7,12\^160`1.6,&8,
4\^155~zf`-1.2,O,55,//O^180`1,&2~zb,
@@ -78,13 +111,12 @@ beginfont("NO:4","EN:Gibberellin");
)
endfont;
\end{VerbatimOut}
-\begin{mplibcode}\end{mplibcode}\vspace{10mm}\\%
+\begin{mplibcode}\end{mplibcode}%
+\MOLcaption{0mm}{25mm}\vspace{10mm}\\%
%----------------------------------------------------------------------------
-\rlap{\raisebox{55mm}{No.5 Erythromycin}}%
-\begin{VerbatimOut}{temp_file.aux}
-font_wd:=60mm;
-font_ht:=70mm;
-beginfont("NO:5","EN:Erythromycin");
+\begin{VerbatimOut}{\tempaux}
+font_wd:=60mm; font_ht:=70mm;
+beginfont("NO:5","EN:Erythromycin","MW:733.93");
MCf(^^30,
{,``1,^^-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,},&1,
14:O,13:/*Et,@(1,9)//O,@(2,10)*/Me,@(4,6^-35,8,12^35)/*Me,
@@ -94,13 +126,12 @@ MCf(^^30,
)
endfont;
\end{VerbatimOut}
-\begin{mplibcode}\end{mplibcode}\hspace{8mm}%
+\begin{mplibcode}\end{mplibcode}%
+\MOLcaption{0mm}{55mm}\hspace{8mm}%
%----------------------------------------------------------------------------
-\rlap{\raisebox{70mm}{No.6 Vancomycin}}%
-\begin{VerbatimOut}{temp_file.aux}
-font_wd:=100mm;
-font_ht:=70mm;
-beginfont("NO:6","EN:Vancomycin");
+\begin{VerbatimOut}{\tempaux}
+font_wd:=100mm; font_ht:=70mm;
+beginfont("NO:6","EN:Vancomycin","MW:1449.25");
MCf(^^30,
{,``1,!12,$(1,3,12)zf,7=wf,/H^-60,60,*/OH,60,
Ph,-4:/Cl,-3\,O,!,Ph,-4\,O,!,Ph,-1^15:/Cl,-3\,/*OH,*/H^-60,&(#1),
@@ -110,18 +141,17 @@ beginfont("NO:6","EN:Vancomycin");
@(1^180,4^180)*/H,@(7^-60,10^60,14^60)/*H,
#10*\^-60,60,//O,!,NH2,
#13*\,NH,!,//O,!,/'(!,iPr)^-35>60,*/H^60,!~zf,NH,!,
- #23\,O,!,{,``.7,?6,2:O,3^10:/'(!,OH),@(4,5)/OH,},
- -1\,O,!,{,``.7,?6,6:O,@(3^35,5)/Me,3^-35:/NH2,4:/OH,}
+ #23\,O,!,?6`.7,2:O,3^10:/'(!,OH),@(4,5)/OH,,
+ -1\,O,!,?6`.7,6:O,@(3^35,5)/Me,3^-35:/NH2,4:/OH
)
endfont;
\end{VerbatimOut}
-\begin{mplibcode}\end{mplibcode}\vspace{8mm}\\%
+\begin{mplibcode}\end{mplibcode}%
+\MOLcaption{0mm}{70mm}\vspace{8mm}\\%
%----------------------------------------------------------------------------
-\rlap{\raisebox{50mm}{No.7 Maitotoxin}}%
-\begin{VerbatimOut}{temp_file.aux}
- font_wd:=160mm;
- font_ht:=90mm;
- beginfont("NO:7","EN:Maitotoxin")
+\begin{VerbatimOut}{\tempaux}
+ font_wd:=160mm; font_ht:=90mm;
+ beginfont("NO:7","EN:Maitotoxin","MW:3425.86")
MCf(^^55.8,
?6,-4=??7 ,$(-4,-3,-3,-3)??6,-3\,!!3,??6,$(-4,-3,-3,-3)??6,
-3\,??6,-3=??6,-3\,!!3,60,^^-30,??6,-3=??6,
@@ -143,7 +173,7 @@ endfont;
)
endfont
\end{VerbatimOut}
-\begin{mplibcode}\end{mplibcode}\\%
+\begin{mplibcode}\end{mplibcode}%
+\MOLcaption{0mm}{50mm}\\%
%----------------------------------------------------------------------------
-%
\end{document}
diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
index 03890a729b2..9aee49e6677 100644
--- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
+++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 3.53 Copyright (c) 2013-2015 Akira Yamaji
+% mcf2graph ver 3.54 Copyright (c) 2013-2015 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 3.5 2015.7 ";
+message " This is mcf2graph ver 3.5 2015.8 ";
newinternal com,par,cntA,cntB,adrS,adrA,adrB,dx,nX,i,u,j,k,v,xp,yp,nA,nB;
%-------------------------------------------------------------------------------------------------
pair posB[],posA[],pairT,Ls,Le,pairA;
@@ -45,7 +45,7 @@ picture atom_font[],chem_structure,temp_picture;
sw_numberA:=sw_numberB:=sw_frame:=sw_logout:=sw_solid:=sw_expand:=sw_start_vector:=0;
sw_atom_frame:=sw_checklist:=sw_MOLfile:=char_num:=str_cnt:=size_changed:=proc_end:=0;
if known green: f_MP:=1;
- mp_log_name:=jobname&"-info.log";
+ mp_log_name:=jobname&"-info.aux";
if ahlength=1: proc_end:=1; fi % first molecular only
if ahlength=2: sw_checklist:=1; def shipit = enddef; fi % checklist on
if ahangle=0: def shipit = enddef; % No image file
@@ -74,7 +74,7 @@ ratio_pen_wd:=1.4; ratio_bondgap_bond:=0.15; ratio_zebra_gap:=0.12;
ratio_zebra_black:=0.4; ratio_wedge_bond:=0.15; font_gap:=.066;
offset_thick#:=0.2pt#; offset_gap#:=0.3pt#; offset_zebra_gap#:=0.1pt#;
par_s=ASCII("{"); par_e=ASCII("}"); score_u=ASCII("_"); hat=ASCII("^");
-for i:=1 upto 16: info[i]:=":"; endfor
+max_info_num:=12; for i:=1 upto max_info_num: info[i]:=":"; endfor
def def_com(expr n)(text tx)= nA:=n; forsuffixes list=tx:: list:=nA; nA:=nA+1; endfor enddef;
def_com(-4000)(_term,_jp_atom,_jp_atom_abs,_jp_bond,_cyc,_cyc_sB,_cyc_eB,_set_line,_chg_line,
_dl,_tmp_line,_chg_len,_get_len,_ring_len,_tmp_len,_rot_ang,_set_ang,_adj_ang,_chg_env,
@@ -171,8 +171,8 @@ def set_def_MC=
def &primary n ==(_cyc,n) enddef; def /primary n ==(_postA,n) enddef;
def * == (0,1) enddef; def \ == *,0 enddef; def \\ == *,0~dm enddef;
def *\ == (0,1),0~wf enddef; def \* == (0,1),0~zf enddef;
- def { == (_push,1) enddef; def } == (_pop,1) enddef;
- def {{ == (_push,0) enddef; def }} == (_pop,0) enddef;
+ def { == (_push,1) enddef; def } == (_pop,1) enddef;
+ def {{ == (_push,0) enddef; def }} == (_pop,0) enddef;
def >>primary n == (_chg_env,n) enddef; def ``primary n == (_chg_len,n) enddef;
def ^^primary n == (_rot_ang,n) enddef; def ~~primary n == (_chg_line,n) enddef;
def /secondary n == (_postA,n) enddef; def //secondary n == (_postB,n) enddef;
@@ -498,12 +498,10 @@ enddef;
%-------------------------------------------------------------------------------------------------
vardef fit_zero(expr n)=if n<=9: "00" elseif n<=99: "0" fi enddef;
def logfile_out=
- printf "%------------------------------------------------------------------";
- printf "\MOLinfo{"&info[1]&"}{"&info[2]&"}{"&info[3]&"}{"&info[4]&"}%";
- printf "{"&info[5]&"}{"&info[ 6]&"}{"&info[ 7]&"}{"&info[ 8]&"}"&
- "{"&info[9]&"}{"&info[10]&"}{"&info[11]&"}{"&info[12]&"}%";
- printf "\MCFinfo{"&jobname&"}"&"{"&decimal(char_num)&"}"&"{"&mp_filename&"}"&"{"&decimal(len_x)
- &"}"&"{"&decimal(len_y)&"}"&"{"&decimal(ratio_bond_width)&"}"&"{"&decimal(cntA)&"}"&"{}{}%";
+ printf "%";
+ printf "\MOLinfo" for i=1 upto max_info_num: &"{"&info[i]&"}" endfor &"%";
+ printf "\MCFinfo{"&jobname&"}{"&decimal(char_num)&"}{"&mp_filename&"}{"&decimal(len_x)
+ &"}{"&decimal(len_y)&"}{"&decimal(ratio_bond_width)&"}{"&decimal(cntA)&"}{}{}%";
enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
mc_num:=first_def_number;