mcf2graph (30apr16)

git-svn-id: svn://tug.org/texlive/trunk@40823 c570f23f-e606-0410-a88d-b1316a301751

8 files changed, 49 insertions, 36 deletions

diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
index 122e186f119..df5f12f2b27 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
@@ -1,6 +1,10 @@
 *******************************************************************************
- Changelog of mcf2graph software package        by Akira Yamaji 2016-04-28
+ Changelog of mcf2graph software package        by Akira Yamaji 2016-05-01
 *******************************************************************************
+[ver. 3.91  / 2016-05-01]
+  -add information tag and var for fixed aux file
+  -update MCF syntax manual
+
 [ver. 3.90  / 2016-04-28]
   -add parameter 'sw_auxfix'
    fixed aux information format is added
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README
index 33b39bda791..83affcc086c 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/README
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/README
@@ -1,7 +1,7 @@
 ********************************************************************************
  mcf2graph  : Convert Molecular Coding Format to graphics with METAFONT/METAPOST
  Author     : Akira Yamaji
- version    : 3.90 2016-04-28
+ version    : 3.91 2016-05-01
  E-mail     : mcf2graph@gmail.com
  Located at : http://www.ctan.org/pkg/mcf2graph
 ********************************************************************************
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
index 96197a932a1..d3a9644fb70 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_man_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
index 2fd83a42d18..d0ba778edc9 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
@@ -14,8 +14,8 @@ sw_start_vector:=0;
 %%%%%sw_checklist:=1;
 %***********************************************************************
 beginfont("NO:1","EN:Chlorophyll a","MW:893.49","FM:C55H72MgN4O5")
-  font_wd#:=110mm#;
-  font_ht#:=40mm#;
+  font_wd#:=100mm#;
+  font_ht#:=35mm#;
   MCf(<54,
    {,``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,
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
index e72faab65e2..bab3f2e60ee 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
index 19ef435e1c8..12d4a4c4da4 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 2016.04.28
+%  Molecular Coding Format manual          by  Akira Yamaji 2016.05.01
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \documentclass[a4paper]{article}
 \usepackage[dvipdfmx]{graphicx}
@@ -28,6 +28,8 @@
  \makebox(72,3.5)[t]{\frame{\makebox(68,42.3){\@strufont\char\fontnum}}}%
  \advance\fontnum\@ne\relax\advance\tempnum\@ne\relax}%
 %--------------------------------------------------------------------
+\def\@F{F}\def\@C{C}\def\@EN{EN}\def\@NO{NO}\def\@MW{MW}\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;}%
@@ -39,11 +41,8 @@
   \ifx\@tag\@MW\edef\MOLmw{\@var}\fi
   \ifx\@tag\@cFM\edef\CALfm{\@var}\fi
 \fi}%
-\def\@F{F}\def\@C{C}\def\@EN{EN}\def\@NO{NO}\def\@MW{MW}\def\@cFM{cFM}%
-\def\@fst#1:#2;{#1}%
-\def\@sec#1:#2;{#2}%
 \def\put@char{%
-  \begin{picture}(120,45)%
+  \begin{picture}(120,40)%
      \put(10,35){\bf [\MOLnum] \MOLnameE}%
      \put(16,30){\tt MW:\MOLmw}%
      \put(16,25){\tt FM:\CALfm}%
@@ -85,7 +84,12 @@ font_wd#:=60mm#;      % font width                      >
 font_ht#:=40mm#;      % font height                     >
 var3:="cal_MW"; tag3:="cMW";                            > AUX file table
 var4:="cal_FM"; tag4:="cFM";                            >
+%%%% var5:="len_x";   tag5:="Lx";                       >
+%%%% var6:="len_y";   tag6:="Ly";                       >
+%%%% sw_auxfix:=1;    % fixed aux file                  > fixed AUX file
+%%%% auxtag_out;      % tag list output                 >
 outputformat:="png"; hppp:=vppp:=0.1;                   > PNG output
+%%%% outputformat:="svg";                               > SVG output
 outputtemplate:="%j-%3c.png";                           >
 %-------------------------------------------------------------------------
 beginfont("NO:1","EN:Chlorophyll a","MW:893.49")  % begin font(information)
@@ -109,15 +113,20 @@ endfont                                           % end font
 bye
 \end{verbatim}
 %----------------------------------------------------------------------------
-{\bf (Molecular structure diagram output)}\vspace{3mm}\\
- \frame{\makebox(100,44){\@strufont\char0}}\vspace{6mm}\\
+{\bf (Molecular structure diagram output)}\\
+ \makebox(120,30){\@strufont\char0}\\
 %----------------------------------------------------------------------------
 \noindent%
 {\bf (Molecular information output)}\\
 'filename'-info.aux : for use in \TeX, it takes over filename,
 char number, molecular information,etc.
 \begin{verbatim}
+(sw_auxfix=0)
 F:mcf_man_soc;C:0;cMW:893.48962;cFM:C55H72MgN4O5;NO:1;EN:Chlorophyll a;MW:893.49
+
+(sw_auxfix=1)
+F;C;cMW;cFM;NO;EN;MW
+mcf_man_soc;0;893.48962;C55H72MgN4O5;1;Chlorophyll a;893.49
 \end{verbatim}
 ( tag : variable )\\
 F:filename C:char number,cMW:molecular weight calculated,
@@ -134,6 +143,8 @@ MW:molecular weight from literature data\vspace{5mm}\\
 \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;}%
@@ -145,9 +156,6 @@ MW:molecular weight from literature data\vspace{5mm}\\
   \ifx\@tag\@MW\edef\MOLmw{\@var}\fi
   \ifx\@tag\@FMc\edef\CALfm{\@var}\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}%
@@ -155,9 +163,7 @@ MW:molecular weight from literature data\vspace{5mm}\\
      \put(16,25){\sf FM:\CALfm}%
      \put(0,0){\font\@strufont=\MOLfile\relax%
                \hbox{\@strufont\char\MOLchar}}%
-  \end{picture}%
-}
-%--------------------------------------------------------------------
+  \end{picture}}%
 \def\INFO#1{\@for\@temp:=#1\do{\mol@sel\@temp}\put@char}%
 \makeatother
 %--------------------------------------------------------------------
@@ -1192,20 +1198,22 @@ F:mcf_man_soc/C:87/EN:Warfarin/CAS:81-81-2
 \vspace{5mm}\\
 %-----------------------------------------------------------------------------
 \begin{minipage}[t][37mm]{90mm}
-\MCFtitle{Example(1) Ampicillin}
+\MCFtitle{Fixed aux information}
 \begin{verbatim}
-
-  <45,?4,2:N,2=?5,-1:S,
-  @(3^45,4^-45)/*H,1://O^15,
-  5:/*COOH^-18,@(6^35,6^-35)/Me,
-  4\^75,NH,!,//O,!,NH,!,Ph
+tag3:="NO"; var3:="inf_NO";
+tag4:="EN"; var4:="inf_EN";
+sw_auxfix:=1; auxtag_out;
+beginfont("EN:Ampicillin","NO:1") ... endfont
+%% Output to mcf_man_soc-info.aux %%
+F;C;NO;EN
+mcf_man_soc;88;1;Ampicillin
 \end{verbatim}
 \end{minipage}
 \MCFstructure
 \vspace{5mm}\\
 %-----------------------------------------------------------------------------
 \begin{minipage}[t][37mm]{90mm}
-\MCFtitle{Example(2) Cholesterol}
+\MCFtitle{Example(1) Cholesterol}
 \begin{verbatim}
 
   <30,?6,$(-4,-2)?6,-4=?5,7=dl,
@@ -1218,7 +1226,7 @@ F:mcf_man_soc/C:87/EN:Warfarin/CAS:81-81-2
 \vspace{5mm}\\
 %-----------------------------------------------------------------------------
 \begin{minipage}[t][37mm]{90mm}
-\MCFtitle{Example(3) Colchicine}
+\MCFtitle{Example(2) Colchicine}
 \begin{verbatim}
   <30,Ph,@(1,2,6)/OMe,|,-4=?7,
   |,-5=?7,$(-1,-4,-6)dl,-2://O,-3:/OMe,
@@ -1229,7 +1237,7 @@ F:mcf_man_soc/C:87/EN:Warfarin/CAS:81-81-2
 \vspace{5mm}\\
 %-----------------------------------------------------------------------------
 \begin{minipage}[t][37mm]{90mm}
-\MCFtitle{Example(4) Lycorine}
+\MCFtitle{Example(3) Lycorine}
 \begin{verbatim}
 
   <30,Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3],
@@ -1241,7 +1249,7 @@ F:mcf_man_soc/C:87/EN:Warfarin/CAS:81-81-2
 \vspace{5mm}\\
 %-----------------------------------------------------------------------------
 \begin{minipage}[t][37mm]{90mm}
-\MCFtitle{Example(5) Gibberellin}
+\MCFtitle{Example(4) Gibberellin}
 \begin{verbatim}
   <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,
@@ -1254,7 +1262,7 @@ F:mcf_man_soc/C:87/EN:Warfarin/CAS:81-81-2
 \vspace{5mm}\\
 %-----------------------------------------------------------------------------
 \begin{minipage}[t][37mm]{90mm}
-\MCFtitle{Example(6) Capsaicin}
+\MCFtitle{Example(5) Capsaicin}
 \begin{verbatim}
   <30,Ph,
   1:/OH,6:/OMe,4\,!,NH,!,//O,
@@ -1265,7 +1273,7 @@ F:mcf_man_soc/C:87/EN:Warfarin/CAS:81-81-2
 \vspace{5mm}\\
 %-----------------------------------------------------------------------------
 \begin{minipage}[t][37mm]{90mm}
-\MCFtitle{Example(7) Quinine}
+\MCFtitle{Example(6) Quinine}
 \begin{verbatim}
   <30,Ph,3=Ph,7:N,6:/OMe,
    10\,*/OH,/H~zf^-60,!,
@@ -1278,7 +1286,7 @@ F:mcf_man_soc/C:87/EN:Warfarin/CAS:81-81-2
 \vspace{5mm}\\
 %-----------------------------------------------------------------------------
 \begin{minipage}[t][37mm]{90mm}
-\MCFtitle{Example(8) Atoropin}
+\MCFtitle{Example(7) Atoropin}
 \begin{verbatim}
   <-30,O,!,//O,!,!,Ph,
   #1\~zb^-120,
@@ -1290,7 +1298,7 @@ F:mcf_man_soc/C:87/EN:Warfarin/CAS:81-81-2
 \vspace{5mm}\\
 %-----------------------------------------------------------------------------
 \begin{minipage}[t][37mm]{90mm}
-\MCFtitle{Example(9) Paclitaxel}
+\MCFtitle{Example(8) Paclitaxel}
 \begin{verbatim}
   ?6,5=d,3*,{,``1,36,45,45,45,45,},&#5,
   -4=?6,-4=?4,-1=wb,-3=wf,-1:O,||,
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 36cfaddf07d..40b550b849d 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/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
index af64639b040..c923e973f3a 100644
--- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
+++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
@@ -1,5 +1,5 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 3.90     Copyright (c) 2013-2016   Akira Yamaji
+% mcf2graph ver 3.91     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 3.9  2016.4";
+message " This is mcf2graph ver 3.9  2016.5";
 %-------------------------------------------------------------------------------------------------
 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[],
@@ -38,8 +38,8 @@ numeric angB[],angA[],br_ang[],sB[],eB[],f_FON[],atom_w[],atom_h[],atom_d[],strA
         comMC[][],parMC[][],stock_p[],cntMC[],colorA[],colorB[],tblN[],tblB[][],wtA[],sumA[],
         CH[],NH[],NO[],SO[],CCl[],CF[],CBr[],?[],![],Ph[];
 path    pA,pB,pC,pT;
-string  info[],tblA[],com_str[],var[],tag[],cal_FM,mp_log_name,inf_EN,inf_JN,inf_FM,cal_MW_str,
-        inf_USE,inf_EXA,inf_EXB,inf_str,aux_delimiter;
+string  info[],tblA[],com_str[],var[],tag[],cal_FM,mp_log_name,inf_EN,inf_JN,inf_FM,
+        inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_str,cal_MW_str,aux_delimiter;
 picture atom_font[],chem_structure,temp_picture;
 %-------------------------------------------------------------------------------------------------
 sw_numberA:=sw_numberB:=sw_mol_frame:=sw_auxout:=sw_solid:=sw_expand:=sw_start_vector:=0;
@@ -107,7 +107,7 @@ def restore_par(text t)=  nA:=0;
 enddef;
 %-------------------------------------------------------------------------------------------------
 def beginfont(text s)=
-  inf_EN:=inf_JN:=inf_FM:=inf_USE:=inf_EXA:=inf_EXB:="";
+  inf_EN:=inf_JN:=inf_FM:=inf_CAS:=inf_USE:=inf_EXA:=inf_EXB:="";
   len_x:=len_y:=cntA:=inf_num:=inf_MW:=f_beginchar:=0;
   store_par(parameter_list); stock_wd#:=font_wd#; stock_ht#:=font_ht#;
   ratio_bond_width:=1/30;
@@ -117,6 +117,7 @@ def beginfont(text s)=
     elseif substring (0,2) of list="EN":  inf_EN:=substring (3,length(list)) of list;
     elseif substring (0,2) of list="JN":  inf_JN:=substring (3,length(list)) of list;
     elseif substring (0,2) of list="FM":  inf_FM:=substring (3,length(list)) of list;
+    elseif substring (0,3) of list="CAS": inf_CAS:=substring (4,length(list)) of list;
     elseif substring (0,3) of list="USE": inf_USE:=substring (4,length(list)) of list;
     elseif substring (0,3) of list="EXA": inf_EXA:=substring (4,length(list)) of list;
     elseif substring (0,3) of list="EXB": inf_EXB:=substring (4,length(list)) of list; fi