mcf2graph (10aug20)

git-svn-id: svn://tug.org/texlive/trunk@56086 c570f23f-e606-0410-a88d-b1316a301751

1 files changed, 79 insertions, 114 deletions

diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
index 4c15bbafc19..9f33673c13a 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
@@ -1,5 +1,5 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-%  Molecular Coding Format manual                by  Akira Yamaji 2020.07.26
+%  Molecular Coding Format manual                by  Akira Yamaji 2020.08.10
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \documentclass[a4paper]{article}
 %%%%\documentclass[a4paper,twoside]{article}
@@ -9,6 +9,9 @@
 %%%%\usepackage[dvipdfmx]{graphicx}
 \usepackage[pdftex]{hyperref}
 %%%%\usepackage[dvipdfmx]{hyperref}
+%---------------------
+\usepackage{mcf_setup}
+%---------------------
 \hypersetup{colorlinks=true,linkcolor=blue}
 \topmargin=-18mm
 \textheight=254mm
@@ -19,81 +22,51 @@
 \unitlength=1mm%
 \makeatletter
 %----------------------------------------------------------------------------
-\newcount \fontnum%
-\newcount \tempnum%
+\newcount \fnum%
 \newdimen \htman%
 \newdimen \wdman%
 \newdimen \htmans%
+\newbox \fbox%
 %----------------------------------------------------------------------------
-\newcount \MCFformat%
-\newbox \box@strufont%
 \htman=45mm%
 \wdman=94mm%
 \htmans=42mm%
-\fontnum=29%
-\tempnum=1%
+\fnum=29%
 %----------------------------------------------------------------------------
 \edef\MCFjobname{mcf_man_soc}%
+\edef\@pk{pk}%
 %----------------------------------------------------------------------------
-\MCFformat=-1%   use pkfont
-%%\MCFformat=0%    \includegraphics{jobname-nnn.mps}
-%%\MCFformat=1%    \includegraphics[width=wd{jobname-nnn.png}}
-%%\MCFformat=2%    \includegraphics{jobname-nnn.svg}
-%%\MCFformat=3%    \includegraphics{jobname-nnn.eps}
+\edef\fext{pk}%
+%%\edef\fext{mps}%
+%%\edef\fext{png}%
+%%\edef\fext{svg}%
+%%\edef\fext{eps}%
 %----------------------------------------------------------------------------
 \font\@strufont=\MCFjobname\relax%
 %----------------------------------------------------------------------------
 \def\MCFgraph{%
-\ifnum\MCFformat<0{\hspace{5mm}\@strufont\char\fontnum}%
+\ifx\fext\@pk{\hspace{5mm}\@strufont\char\fnum}%
 \else%
-\ifnum\MCFformat=0\edef\stru@ext{mps}\fi
-\ifnum\MCFformat=1\edef\stru@ext{png}\fi
-\ifnum\MCFformat=2\edef\stru@ext{svg}\fi
-\ifnum\MCFformat=3\edef\stru@ext{eps}\fi
-%
-\ifnum\fontnum<100%
-\ifnum\fontnum<10\edef\zero@cnt{00}% jobname-00n.ext
-\else\edef\zero@cnt{0}\fi%           jobname-0nn.ext
-\else\edef\zero@cnt{}%               jobname-nnn.ext
+\ifnum\fnum<10\edef\pre@zero{00}%
+\else\ifnum\fnum<100\edef\pre@zero{0}%
+\else\edef\pre@zero{}\fi\fi%
+\edef\file@name{\MCFjobname-\pre@zero\the\fnum.\fext}%
+\setbox\fbox=\hbox{\@strufont\char\fnum}%
+\hspace{5mm}\includegraphics[width=\wd\fbox,height=\ht\fbox]{\file@name}%
 \fi%
-%
-\edef\file@name{\MCFjobname-\zero@cnt\the\fontnum.\stru@ext}%
-%
-\ifnum\MCFformat=1%
-\setbox\box@strufont=\hbox{\@strufont\char\fontnum}%
-\hspace{5mm}\includegraphics[width=\wd\box@strufont]{\file@name}%
-\else%
-\hspace{5mm}\includegraphics\file@name%
-\fi%
-%
-\fi%
-%
-\global\advance\fontnum\@ne\relax%
+\global\advance\fnum\@ne\relax%
 }%
 %---------------------------------------------------------------------------
-\def\@F{F}\def\@C{C}\def\@EN{EN}\def\@NO{NO}\def\@cMW{cMW}\def\@cFM{cFM}%
-\def\@fst#1:#2;{#1}\def\@sec#1:#2;{#2}%
-\def\mol@sel#1{%
-\if#1\empty\relax\else%
-  \edef\@tag{\expandafter\@fst#1;}%
-  \edef\@var{\expandafter\@sec#1;}%
-  \ifx\@tag\@F\edef\MOLfile{\@var}\fi%
-  \ifx\@tag\@C\edef\MOLchar{\@var}\fi%
-  \ifx\@tag\@EN\edef\MOLnameE{\@var}\fi%
-  \ifx\@tag\@NO\edef\MOLnum{\@var}\fi
-  \ifx\@tag\@cMW\edef\CALmw{\@var}\fi
-  \ifx\@tag\@cFM\edef\CALfm{\@var}\fi
-\fi}%
 \def\put@char{%
-  \begin{picture}(84,28)%
-     \put(0,23){\bf [\MOLnum]\MOLnameE}%
-     \put(5,18){\small\tt FM:\CALfm{ }MW:\CALmw}%
-     \put(5,0){\font\@strufont=\MOLfile\relax%
-               \hbox{\@strufont\char\MOLchar}}%
+  \begin{picture}(75,28)%
+     \put(0,23){\bf [\NO]\EN}%
+     \put(5,18){\small\tt FM:\fm{ }MW:\mw}%
+     \put(5,0){\font\@strufont=\File\relax%
+               \hbox{\@strufont\char\Char}}%
   \end{picture}%
-}
+}%
 %----------------------------------------------------------------------------
-\def\INFO#1{\@for\@temp:=#1\do{\mol@sel\@temp}\put@char}%
+\def\INFO#1{\@for\@temp:=#1\do{\tag@var\@temp}\put@char}%
 %----------------------------------------------------------------------------
 \begin{document}
 \title{\Huge\sf Molecular Coding Format manual}
@@ -1353,28 +1326,30 @@ input mcf2graph.mf;                               % input macro
 %-------------------------------------------------------------------------
 sw_aux_out:=1;        % aux(information) file output on > Global setting
 fsize:=(60mm,40mm);   %  (font width,font height)       >
-var3:="cal_MW"; tag3:="cMW";                            > AUX file table
-var4:="cal_FM"; tag4:="cFM";                            >
+tag1:="F";                                              > AUX file table
+tag2:="C";                                              >
+tag3:="mw";                                             >
+tag4:="fm";                                             >
 %%%% sw_rep_out:=1;                                     > Report output
 %%%% sw_mol_out:=1;                                     > MOL file output
 outputformat:="png"; hppp:=vppp:=0.1;                   > PNG output
 outputtemplate:="%j-%3c.png";                           >
 %-------------------------------------------------------------------------
-beginfont("NO:1","EN:Ampicillin")                 > begin font(information)
+beginfont("N:1","EN:Ampicillin")                 > begin font(information)
   MC(<45,?4,2:N,2=?5,-1:S,                              > begin MCF (1)
      {3^45,4^-45}:/*H,1://O^15,5:/*COOH^-18,            >
      {6^35,6^-35}:/_,                                   >
      4:@,75,NH,!,//O,!,/*NH,!,Ph)                       > end MCF 
 endfont                                                 > end font
 %------------------------------------------------------------------------
-beginfont("NO:2","EN:Cholesterol")                > begin font(information)
+beginfont("N:2","EN:Cholesterol")                > begin font(information)
   MC(<30,?6,{-4,-2}=?6,-4=?5,7=dl,                      > begin MCF (2)
       1:*/OH,{4,12}:*/_^60,9:*/H^60,                    >
       10:/*H^180,{11,-1}:/*H^-60,                       >
       -1:@,17,/*_,!4,/_,!)                              > end MCF
 endfont                                                 > end font
 %------------------------------------------------------------------------
-beginfont("NO:3","EN:Limonin")                    > begin font(information)
+beginfont("N:3","EN:Limonin")                    > begin font(information)
   MC(<30,?6,{-3,-4}=?6,                                 > begin MCF (3)
       -5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf,               >
       {13,15,17,20}:O,{3,12,21}://O,                    >
@@ -1383,7 +1358,7 @@ beginfont("NO:3","EN:Limonin")                    > begin font(information)
       14:\*,|,?5,{1,4}=dl,3:O)                          > end MCF
 endfont                                                 > end font
 %------------------------------------------------------------------------
-beginfont("NO:4","EN:beta-carotene)               > begin font(information)
+beginfont("N:4","EN:beta-carotene)               > begin font(information)
   MC(<30,?6,3=dl,{3,5^35,5^-35}:/_,                     > begin MCF (4)
       4:\,|,!18,{1,3,5,7,9,11,13,15,17}=dr,             >
       {3,7,12,16}:/_,                                   >
@@ -1409,42 +1384,39 @@ bye
 \end{verbatim}
 \paragraph{(Sourse)}
 \begin{verbatim}
-beginfont("EN:Ampicillin")(....)
-beginfont("EN:Cholesterol")(....)
-beginfont("EN:Limonin")(....)
-beginfont("EN:beta-Carotene")(....)
+beginfont("EN:Ampicillin")    .... endfont
+beginfont("EN:Cholesterol")   .... endfont
+beginfont("EN:Limonin")       .... endfont
+beginfont("EN:beta-Carotene") .... endfont
 \end{verbatim}
 \paragraph{(Setting)}
 \begin{verbatim}
-tag1:="F";   var1:="jobname";     * default output
-tag2:="C";   var2:="char_num";    * default output
-tag3:="cMW"; var3:="calc_weight";
-tag4:="cFM"; var4:="calc_formula";
+tag1:="F"; tag2:="C"; tag3:="mw"; tag4:="fm";
 \end{verbatim}
 \paragraph{(Output)}
 \begin{verbatim}
 (sw_aux_out=1)
-F:mcf_man_soc;C:1;cMW:349.40462;cFM:C16H19N3O4S;EN:Ampicillin
-F:mcf_man_soc;C:2;cMW:386.6532;cFM:C27H46O;EN:Cholesterol
-F:mcf_exa_soc;C:3;cMW:470.5113;cFM:C26H30O8;EN:Limonin
-F:mcf_exa_soc;C:4;cMW:536.8722;cFM:C40H56;EN:beta-Carotene
-
-(sw_aux_out=2)
-F;C;cMW;cFM;EN
-mcf_man_soc;1;349.40462;C16H19N3O4S;Ampicillin
-mcf_man_soc;2;386.6532;C27H46O;Cholesterol
-mcf_exa_soc;3;470.5113;C26H30O8;Limonin
-mcf_exa_soc;4;536.8722;C40H56;beta-Carotene
-
-(aux_delimiter:="/";)
-F:mcf_man_soc/C:1/cMW:349.40462/cFM:C16H19N3O4S/EN:Ampicillin
-F:mcf_man_soc/C:2/cMW:386.6532/cFM:C27H46O/EN:Cholesterol
-F:mcf_exa_soc/C:3/cMW:470.5113/cFM:C26H30O8/EN:Limonin
-F:mcf_exa_soc/C:4/cMW:536.8722/cFM:C40H56/EN:beta-Carotene
+F:mcf_man_soc;C:1;mw:349.40462;fm:C16H19N3O4S;EN:Ampicillin
+F:mcf_man_soc;C:2;mw:386.6532;fm:C27H46O;EN:Cholesterol
+F:mcf_exa_soc;C:3;mw:470.5113;fm:C26H30O8;EN:Limonin
+F:mcf_exa_soc;C:4;mw:536.8722;fm:C40H56;EN:beta-Carotene
+
+(sw_aux_out=2 (3))
+F;C;mw;fm(;EN)
+mcf_man_soc;1;349.40462;C16H19N3O4S(;Ampicillin)
+mcf_man_soc;2;386.6532;C27H46O(;Cholesterol)
+mcf_exa_soc;3;470.5113;C26H30O8(;Limonin)
+mcf_exa_soc;4;536.8722;C40H56(;beta-Carotene)
+
+(aux_delimiter="/")
+F:mcf_man_soc/C:1/mw:349.40462/fm:C16H19N3O4S/EN:Ampicillin
+F:mcf_man_soc/C:2/mw:386.6532/fm:C27H46O/EN:Cholesterol
+F:mcf_exa_soc/C:3/mw:470.5113/fm:C26H30O8/EN:Limonin
+F:mcf_exa_soc/C:4/mw:536.8722/fm:C40H56/EN:beta-Carotene
 \end{verbatim}
 \paragraph{(Tag)}
 \begin{verbatim}
-F   : filename
+F   : filename                           
 C   : char number
 NO  : serial number
 EN  : english name
@@ -1452,9 +1424,11 @@ JN  : japanese name
 FM  : formula from literature data
 MW  : molecular weight from literature data
 USE : the use
-cMW : molecular weight calculated
-cMI : monoisotopic mass calculated
-cFM : molecular formula calculated
+mw  : molecular weight calculated
+mi  : monoisotopic mass calculated
+fm  : molecular formula calculated
+w   : font width
+h   : font height
 \end{verbatim}
 %------------------------------------------------------------------------
 \newpage
@@ -1592,7 +1566,7 @@ M  END
 %--------------------------------------------------------------------
 \begin{mplibcode}
   fsize:=(50mm,50mm);
-  beginfont("NO:2","EN:Limonin","MW:470.51")
+  beginfont("NO:1","EN:Limonin","MW:470.51")
   MC(<30,
     ?6,{-3,-4}=?6,
       -5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf,
@@ -1606,7 +1580,7 @@ M  END
 %--------------------------------------------------------------------
 \begin{mplibcode}
   fsize:=(80mm,50mm);
-  beginfont("NO:3","EN:beta-carotene","MW:536.87")
+  beginfont("NO:2","EN:beta-carotene","MW:536.87")
     MC(<30,
       ?6,3=dl,{3,5^35,5^-35}:/_,
       4:\,|,!18,{1,3,5,7,9,11,13,15,17}=dr,
@@ -1618,7 +1592,7 @@ M  END
 %--------------------------------------------------------------------
 \begin{mplibcode}
   fsize:=(50mm,50mm);
-  beginfont("NO:4","EN:Gibberellin A3","MW:346.37");
+  beginfont("NO:3","EN:Gibberellin A3","MW:346.37");
   MC(<18,?5,3=?7,5=?6[12],
      8:@,160`1.3,3:#,13=dl,6=wf,8=wb,
      5:@,40~zf`1,O,60,//O^180,14~zb:#,
@@ -1640,41 +1614,32 @@ endfont;
 %--------------------------------------------------------------------
 \documentclass[a4paper]{article}
 \usepackage{graphicx}
+%---------------------
+\usepackage{mcf_setup}
+%---------------------
 \pagestyle{empty}
 \makeatletter%
 %--------------------------------------------------------------------
-\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\mol@sel#1{%
-\if#1\empty\relax\else%
-  \edef\@tag{\expandafter\@fst@param#1;}%
-  \edef\@var{\expandafter\@sec@param#1;}%
-  \ifx\@tag\@F\edef\MOLfile{\@var}\fi%
-  \ifx\@tag\@C\edef\MOLchar{\@var}\fi%
-  \ifx\@tag\@EN\edef\MOLnameE{\@var}\fi%
-  \ifx\@tag\@NO\edef\MOLnum{\@var}\fi
-  \ifx\@tag\@MW\edef\CALmw{\@var}\fi
-  \ifx\@tag\@FMc\edef\CALfm{\@var}\fi
-\fi}%
 \def\put@char{%
   \begin{picture}(84,42)%
-     \put(0,38){\bf [\MOLnum]\MOLnameE{ }\small\tt/FM:\CALfm/MW:\CALmw}%
-     \put(10,0){\font\@strufont=\MOLfile\relax%
-               \hbox{\@strufont\char\MOLchar}}%
+     \put(0,38){\bf [\MOLnum]\EN{ }\small\tt/FM:\fm/MW:\mw}%
+     \put(10,0){\font\@strufont=\File\relax%
+               \hbox{\@strufont\char\Char}}%
   \end{picture}%
-\def\INFO#1{\@for\@temp:=#1\do{\mol@sel\@temp}\put@char}%
+}%
+\def\INFO#1{\@for\@temp:=#1\do{\tag@var\@temp}\put@char}%
 \makeatother
 %--------------------------------------------------------------------
 \begin{document}
 \unitlength=1mm%
-\INFO{F:mcf_man_soc,C:138,NO:1,cMW:349.40462,cFM:C16H19N3O4S,EN:Ampicillin}%
-\INFO{F:mcf_man_soc,C:139,NO:2,cMW:386.6532,cFM:C27H46O,EN:Cholesterol}%
+\INFO{F:mcf_man_soc,C:138,NO:1,mw:349.40462,fm:C16H19N3O4S,EN:Ampicillin}%
+\INFO{F:mcf_man_soc,C:139,NO:2,mw:386.6532,fm:C27H46O,EN:Cholesterol}%
 \end{document}
 %--------------------------------------------------------------------
 \end{verbatim}%
 %############################################################################
 %------------------------------------------------------------------------
-\INFO{F:mcf_man_soc,C:138,NO:1,cMW:349.40462,cFM:C16H19N3O4S,EN:Ampicillin}%
-\INFO{F:mcf_man_soc,C:139,NO:2,cMW:386.6532,cFM:C27H46O,EN:Cholesterol}%
+\INFO{F:mcf_man_soc,C:138,NO:1,mw:349.40462,fm:C16H19N3O4S,EN:Ampicillin}%
+\INFO{F:mcf_man_soc,C:139,NO:2,mw:386.6532,fm:C27H46O,EN:Cholesterol}%
 %------------------------------------------------------------------------
 \end{document}