diff options
Diffstat (limited to 'Master')
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/README | 27 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf | bin | 255216 -> 255342 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex | 41 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf | bin | 218677 -> 218682 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf | bin | 91079 -> 107562 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex | 132 | ||||
| -rw-r--r-- | Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf | 22 |
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 Binary files differindex 19041dde5f8..94878b06240 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 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 Binary files differindex c7c575c6835..4ecb6e7f43e 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_mplib_exa.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf Binary files differindex 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 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; |