mcf2graph (28apr16)

git-svn-id: svn://tug.org/texlive/trunk@40804 c570f23f-e606-0410-a88d-b1316a301751

10 files changed, 123 insertions, 127 deletions

diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
index 4b8bd40ae1a..122e186f119 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
@@ -1,6 +1,11 @@
 *******************************************************************************
- Changelog of mcf2graph software package        by Akira Yamaji 2016-04-10
+ Changelog of mcf2graph software package        by Akira Yamaji 2016-04-28
 *******************************************************************************
+[ver. 3.90  / 2016-04-28]
+  -add parameter 'sw_auxfix'
+   fixed aux information format is added
+   It is easy to use with spreadsheet software
+
 [ver. 3.89  / 2016-04-10]
   -add new bond type bz (broad dotted)
 
@@ -8,7 +13,7 @@
   -rename variable 'aux_separater' => 'aux_delimiter'
 
 [ver. 3.87  / 2016-04-04]
-  -change aux infomation delimiter(, => ;)
+  -change aux information delimiter(, => ;)
    a lot of molecular name include ','
 
 [ver. 3.86  / 2016-04-02]
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README
index 54e8f1ae7b3..33b39bda791 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    : 3.89 2016-04-10
+ version    : 3.90 2016-04-28
  E-mail     : mcf2graph@gmail.com
  Located at : http://www.ctan.org/pkg/mcf2graph
 ********************************************************************************
@@ -37,35 +37,7 @@
  ( 5) >mpost -s ahlength=1 FILENAME  => output first definition only (for test)
  ( 6) >mpost -s ahlength=2 FILENAME  => output checklist.
 
-4. Molecular definition file example
-
- %-----------------------------------------------------------------------
- input mcf2graph.mf;                   % input main system
- %-- preamble -----------------------------------------------------------
- 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_font_frame:=0;    % font frame off                  >
- font_wd#:=60mm#;     % font width                      > 
- font_ht#:=40mm#;     % font height                     >
- var3:="calc_weight";  tag3:="MWc";                     > AUX file table
- var4:="calc_formula"; tag4:="FMc";                     >
- %-- molecular definition -----------------------------------------------
- beginfont("EN:Acetamiprid")           % molecular 1
-   sw_font_frame:=1;                   % > Local setting
-   MCf(<30,Ph,4\,!,NH,!,!~dr,N,!,CN)   % MCF
- endfont                               %
- beginfont("EN:Imidacloprid")          % molecular 2
- sw_start_vector:=1;                   % > Local setting
-  MCf(<30,Ph,1:N,6:/Cl,3\,!,           % MCF
-           |,?5,1:N,3:NH,2\\,!,NO2)    %
- endfont                               %
- %-----------------------------------------------------------------------
- bye
-
-5. License
+4. 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
@@ -84,4 +56,3 @@
  OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
  THE SOFTWARE.
 
-%----------------------------------------------------------------------------
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 387d6e15386..74092f1aaac 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  2016.04.2
+% Molecular Coding Format for mcf_example.tex   by Akira Yamaji  2016.04.28
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 input mcf2graph.mf;
 %-------------------------------------------------------------------------
@@ -12,10 +12,15 @@ sw_frame:=0;
 sw_atom_frame:=0;
 sw_expand:=0;
 sw_start_vector:=0;
-%%%% var3:="len_x"; tag3:="Lx";
-%%%% var4:="len_y"; tag4:="Ly";
-%%%% var5:="calc_weight";  tag5:="MWc";
-%%%% var6:="calc_formula"; tag6:="FMc";
+%%%% sw_auxfix:=1;
+%%%% var3:="len_x";   tag3:="Lx";
+%%%% var4:="len_y";   tag4:="Ly";
+%%%% var5:="cal_MW";  tag5:="cMW";
+%%%% var6:="cal_FM";  tag6:="cFM";
+%%%% var7:="inf_USE"; tag7:="USE";
+%%%% var8:="inf_EXA"; tag8:="EXA";
+%%%% var9:="inf_EXB"; tag9:="EXB";
+%%%% auxtag_out;
 %%%% sw_checklist:=1;
 %%%% sw_MOLout:=1;
 %%%% outputformat:="png"; hppp:=vppp:=0.1; outputtemplate:="%j-%3c.png";
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
index 8898ab0c50c..96197a932a1 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 b0cae3f7541..9a17eac7008 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  2016.4.10
+% Example of MCF typeset by LaTeX   mcf_examples.tex    by A.Yamaji  2016.4.28
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \documentclass[a4paper]{article}
 \usepackage{graphicx}
@@ -20,20 +20,20 @@
 %-------------------------------------------------------------------------------
 \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\@Lx\edef\MOLlenx{\@sec}\fi   \ifx\@fst\@Ly\edef\MOLleny{\@sec}\fi%
-  \ifx\@fst\@EN\edef\MOLnameE{\@sec}\fi  \ifx\@fst\@JN\edef\MOLnameJ{\@sec}\fi%
-  \ifx\@fst\@CAS\edef\MOLcas{\@sec}\fi   \ifx\@fst\@USE\edef\MOLuse{\@sec}\fi%
-  \ifx\@fst\@FM\edef\MOLfm{\@sec}\fi     \ifx\@fst\@FMc\edef\CALfm{\@sec}\fi%
-  \ifx\@fst\@MW\edef\MOLmw{\@sec}\fi     \ifx\@fst\@MWc\edef\CALmw{\@sec}\fi%
-  \ifx\@fst\@logP\edef\MOLlogP{\@sec}\fi \ifx\@fst\@EXA\edef\MOLextA{\@sec}\fi%
-  \ifx\@fst\@EXB\edef\MOLextB{\@sec}\fi  \ifx\@fst\@NO\edef\MOLnum{\@sec}\fi\fi}%
+  \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\@Lx\edef\MOLlenx{\@var}\fi   \ifx\@tag\@Ly\edef\MOLleny{\@var}\fi%
+  \ifx\@tag\@EN\edef\MOLnameE{\@var}\fi  \ifx\@tag\@JN\edef\MOLnameJ{\@var}\fi%
+  \ifx\@tag\@CAS\edef\MOLcas{\@var}\fi   \ifx\@tag\@USE\edef\MOLuse{\@var}\fi%
+  \ifx\@tag\@FM\edef\MOLfm{\@var}\fi     \ifx\@tag\@FMc\edef\CALfm{\@var}\fi%
+  \ifx\@tag\@MW\edef\MOLmw{\@var}\fi     \ifx\@tag\@MWc\edef\CALmw{\@var}\fi%
+  \ifx\@tag\@logP\edef\MOLlogP{\@var}\fi \ifx\@tag\@EXA\edef\MOLextA{\@var}\fi%
+  \ifx\@tag\@EXB\edef\MOLextB{\@var}\fi  \ifx\@tag\@NO\edef\MOLnum{\@var}\fi\fi}%
 %-------------------------------------------------------------------------------
 \def\@F{F}\def\@C{C}\def\@EN{EN}\def\@JN{JN}\def\@CAS{CAS}%
 \def\@MW{MW}\def\@MWc{MWc}\def\@FM{FM}\def\@FMc{FMc}\def\@Lx{Lx}\def\@Ly{Ly}%
-\def\@NO{NO}\def\@USE@{USE}\def\@logP@{logP}\def\@EXA@{EXA}\def\@EXB@{EXB}%
+\def\@NO{NO}\def\@USE{USE}\def\@logP{logP}\def\@EXA{EXA}\def\@EXB{EXB}%
 %-------------------------------------------------------------------------------
 \def\@fst@param#1:#2;{#1}\def\@sec@param#1:#2;{#2}%
 \def\@stru#1[#2]{\font\@strufont=#1\relax\hbox{\@strufont\char#2}}%
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
index e4eeb468c3a..e72faab65e2 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 f8eafbc0c66..19ef435e1c8 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 2016.04.10
+%  Molecular Coding Format manual          by  Akira Yamaji 2016.04.28
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \documentclass[a4paper]{article}
 \usepackage[dvipdfmx]{graphicx}
@@ -30,18 +30,18 @@
 %--------------------------------------------------------------------
 \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
+  \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\@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\@FMc{FMc}%
-\def\@fst@param#1:#2;{#1}%
-\def\@sec@param#1:#2;{#2}%
+\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)%
      \put(10,35){\bf [\MOLnum] \MOLnameE}%
@@ -83,8 +83,8 @@ sw_start_vector:=0;   % start vector output off         >
 sw_font_frame:=0;     % font frame off                  >
 font_wd#:=60mm#;      % font width                      > 
 font_ht#:=40mm#;      % font height                     >
-var3:="calc_weight";  tag3:="MWc";                      > AUX file table
-var4:="calc_formula"; tag4:="FMc";                      >
+var3:="cal_MW"; tag3:="cMW";                            > AUX file table
+var4:="cal_FM"; tag4:="cFM";                            >
 outputformat:="png"; hppp:=vppp:=0.1;                   > PNG output
 outputtemplate:="%j-%3c.png";                           >
 %-------------------------------------------------------------------------
@@ -117,11 +117,11 @@ bye
 'filename'-info.aux : for use in \TeX, it takes over filename,
 char number, molecular information,etc.
 \begin{verbatim}
-F:mcf_man_soc;C:0;MWc:893.48962;FMc:C55H72MgN4O5;NO:1;EN:Chlorophyll a;MW:893.49
+F:mcf_man_soc;C:0;cMW:893.48962;cFM:C55H72MgN4O5;NO:1;EN:Chlorophyll a;MW:893.49
 \end{verbatim}
 ( tag : variable )\\
-F:filename C:char number,MWc:molecular weight calculated,
-FMc:molecular formula calculated\\
+F:filename C:char number,cMW:molecular weight calculated,
+cFM:molecular formula calculated\\
 NO:serial number, EN:english name,
 MW:molecular weight from literature data\vspace{5mm}\\
 %----------------------------------------------------------------------------
@@ -136,14 +136,14 @@ MW:molecular weight from literature data\vspace{5mm}\\
 %--------------------------------------------------------------------
 \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
+  \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\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}%
@@ -163,13 +163,13 @@ MW:molecular weight from literature data\vspace{5mm}\\
 %--------------------------------------------------------------------
 \begin{document}
 \unitlength=1mm%
-\INFO{F:mcf_man_soc ,C:0 ,MWc:893.48962 ,FMc:C55H72MgN4O5%
+\INFO{F:mcf_man_soc ,C:0 ,cMW:893.48962 ,cFM: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%
+\INFO{F:mcf_man_soc ,C:0 ,cMW:893.48962 ,cFM:C55H72MgN4O5%
    ,NO:1 ,EN:Chlorophyll a ,MW:893.49}%
 \newpage
 %----------------------------------------------------------------------------
@@ -1148,10 +1148,10 @@ beginfont() MCd(1,.4)( 1,.5)(Ph) endfont
 \begin{minipage}[t][37mm]{90mm}
 \MCFtitle{Output molecular information}
 \begin{verbatim}
-var3:="calc_weight";  tag3:="MWc";
-var4:="calc_formula"; tag4:="FMc";
+var3:="calc_weight";  tag3:="cMW";
+var4:="calc_formula"; tag4:="cFM";
 %% Output to mcf_man_soc-info.aux %%
-F:mcf_man_soc;C:85;MWc:194.19174;FMc:C8H10N4O2
+F:mcf_man_soc;C:85;cMW:194.19174;cFM:C8H10N4O2
 
 MWc:calculated molecular weight
 FMc:calculated molecular formula
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 b75682de6d9..36cfaddf07d 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 69487d81d77..0c47c8960c1 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   2016.4.10
+% Example of  MCF typest with LuaLaTeX(luamplib)       by A.Yamaji   2016.4.27
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \documentclass{article}
 %------------------------------------------------------------------------------
@@ -10,9 +10,9 @@
               input mcf2graph.mf;
               mp_log_name:="temp-info.aux";
               sw_auxout:=1; 
-              var3:="len_x";        tag3:="Lx";
-              var4:="calc_weight";  tag4:="MWc";
-              var5:="calc_formula"; tag5:="FMc";
+              var3:="len_x";  tag3:="Lx";
+              var4:="cal_MW"; tag4:="cMW";
+              var5:="cal_FM"; tag5:="cFM";
             fi}%
 \everyendmplib{write EOF to mp_log_name;}%
 %------------------------------------------------------------------------------
@@ -21,22 +21,23 @@
 \newif\ifCONT@%
 \newread\@auxf%
 %------------------------------------------------------------------------------
-\def\@fst@param#1:#2;{#1}\def\@sec@param#1:#2;{#2}%
+\def\@fst@param#1:#2;{#1}%
+\def\@sec@param#1:#2;{#2}%
 \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\@Lx\edef\MOLlenx{\@sec}\fi   \ifx\@fst\@Ly\edef\MOLleny{\@sec}\fi%
-  \ifx\@fst\@EN\edef\MOLnameE{\@sec}\fi  \ifx\@fst\@JN\edef\MOLnameJ{\@sec}\fi%
-  \ifx\@fst\@CAS\edef\MOLcas{\@sec}\fi   \ifx\@fst\@USE\edef\MOLuse{\@sec}\fi%
-  \ifx\@fst\@FM\edef\MOLfm{\@sec}\fi     \ifx\@fst\@FMc\edef\CALfm{\@sec}\fi%
-  \ifx\@fst\@MW\edef\MOLmw{\@sec}\fi     \ifx\@fst\@MWc\edef\CALmw{\@sec}\fi%
-  \ifx\@fst\@logP\edef\MOLlogP{\@sec}\fi \ifx\@fst\@EXA\edef\MOLextA{\@sec}\fi%
-  \ifx\@fst\@EXB\edef\MOLextB{\@sec}\fi  \ifx\@fst\@NO\edef\MOLnum{\@sec}\fi\fi}%
+  \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\@Lx\edef\MOLlenx{\@var}\fi   \ifx\@tag\@Ly\edef\MOLleny{\@var}\fi%
+  \ifx\@tag\@EN\edef\MOLnameE{\@var}\fi  \ifx\@tag\@JN\edef\MOLnameJ{\@var}\fi%
+  \ifx\@tag\@CAS\edef\MOLcas{\@var}\fi   \ifx\@tag\@USE\edef\MOLuse{\@var}\fi%
+  \ifx\@tag\@FM\edef\MOLfm{\@var}\fi     \ifx\@tag\@cFM\edef\CALfm{\@var}\fi%
+  \ifx\@tag\@MW\edef\MOLmw{\@var}\fi     \ifx\@tag\@cMW\edef\CALmw{\@var}\fi%
+  \ifx\@tag\@logP\edef\MOLlogP{\@var}\fi \ifx\@tag\@EXA\edef\MOLextA{\@var}\fi%
+  \ifx\@tag\@EXB\edef\MOLextB{\@var}\fi  \ifx\@tag\@NO\edef\MOLnum{\@var}\fi\fi}%
 %-------------------------------------------------------------------------------
 \def\@F{F}\def\@C{C}\def\@EN{EN}\def\@JN{JN}\def\@CAS{CAS}%
-\def\@MW{MW}\def\@MWc{MWc}\def\@FM{FM}\def\@FMc{FMc}\def\@Lx{Lx}\def\@Ly{Ly}%
+\def\@MW{MW}\def\@cMW{cMW}\def\@FM{FM}\def\@cFM{cFM}\def\@Lx{Lx}\def\@Ly{Ly}%
 \def\@NO{NO}\def\@USE@{USE}\def\@logP@{logP}\def\@EXA@{EXA}\def\@EXB@{EXB}%
 %-------------------------------------------------------------------------------
 %  modified latex2e kernel program control (@for delimiter ','=>';')
@@ -205,3 +206,5 @@ endfont;
 \MOLcaption{110mm}{70mm}\\%
 %----------------------------------------------------------------------------
 \end{document}
+ment}
+ment}
diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
index 3bca433c396..af64639b040 100644
--- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
+++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
@@ -1,5 +1,5 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 3.89     Copyright (c) 2013-2016   Akira Yamaji
+% mcf2graph ver 3.90     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  2016.4";
+message " This is mcf2graph ver 3.9  2016.4";
 %-------------------------------------------------------------------------------------------------
 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[],
@@ -38,13 +38,13 @@ 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[],
-        calc_formula,mp_log_name,mol_name,mol_formula,calc_weight_str,info_str,aux_delimiter;
+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;
 picture atom_font[],chem_structure,temp_picture;
 %-------------------------------------------------------------------------------------------------
 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_subst_off:=sw_bond_single:=0;
+sw_subst_off:=sw_bond_single:=sw_auxfix:=0;
 numberA_start:=numberB_start:=1; numberA_end:=numberB_end:=4095; aux_max:=20;
 aux_delimiter:=";";  var1:="jobname";  tag1:="F";  var2:="char_num"; tag2:="C";
 for i=3 upto aux_max: var[i]:=tag[i]:=""; endfor
@@ -81,7 +81,7 @@ ratio_zebra_black:=0.4;       ratio_wedge_bond:=0.12;    ratio_atomgap_atom:=.05
 offset_thickness#:=0.2pt#;    offset_bond_gap#:=0.3pt#;  offset_zebra_gap#:=0.1pt#;
 offset_wedge#:=0.4pt#;
 par_s=ASCII("{"); par_e=ASCII("}"); score_u=ASCII("_"); hat=ASCII("^");
-max_info_num:=12; for i:=1 upto max_info_num: info[i]:=":"; endfor
+max_inf_num:=12; for i:=1 upto max_inf_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,_N,_O,_S,_H,_tmp_line,_chg_len,_get_len,_ring_len,_tmp_len,_rot_ang,_set_ang,_adj_ang,_chg_env,
@@ -107,13 +107,19 @@ def restore_par(text t)=  nA:=0;
 enddef;
 %-------------------------------------------------------------------------------------------------
 def beginfont(text s)=
-  mol_name:=mol_formula:=""; len_x:=len_y:=cntA:=info_num:=mol_weight:=f_beginchar:=0;
+  inf_EN:=inf_JN:=inf_FM:=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;
-  for list=s: info_num:=info_num+1; info[info_num]:=list;
-    if substring (0,2) of list="EN": mol_name:=substring (3,length(list)) of list; fi
-    if substring (0,2) of list="FM": mol_formula:=substring (3,length(list)) of list; fi
-    if substring (0,2) of list="MW": mol_weight:=scantokens(substring (3,length(list)) of list); fi
+  for list=s: inf_num:=inf_num+1; info[inf_num]:=list;
+    if     substring (0,2) of list="NO":  inf_NO:=scantokens(substring (3,length(list)) of list);
+    elseif substring (0,2) of list="MW":  inf_MW:=scantokens(substring (3,length(list)) of list);
+    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="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
   endfor
 enddef;
 %-------------------------------------------------------------------------------------------------
@@ -569,13 +575,19 @@ fi
 enddef;
 %-------------------------------------------------------------------------------------------------
 vardef fit_zero(expr n)=if n<=9: "00" elseif n<=99: "0" fi enddef;
+%-------------------------------------------------------------------------------------------------
+def auxtag_out=
+  for i=1 upto aux_max:  exitif tag[i]="";
+    if i=1: printf tag[1] else:  &aux_delimiter&tag[i] fi
+  endfor
+enddef;
 def auxfile_out=
-    for i=1 upto aux_max:  exitif var[i]="";
-      if i=1: printf "" else: &aux_delimiter fi &tag[i]&":"&
-      if     string  scantokens(var[i]): scantokens(var[i])
-      elseif numeric scantokens(var[i]): decimal(scantokens(var[i])) fi
-    endfor
-    for i=1 upto info_num: &aux_delimiter&info[i] endfor;
+  for i=1 upto aux_max:  exitif tag[i]="";
+    if i=1: printf "" else: &aux_delimiter fi if sw_auxfix=0: &tag[i]&":" fi &
+    if     string  scantokens(var[i]): scantokens(var[i])
+    elseif numeric scantokens(var[i]): decimal(scantokens(var[i])) fi
+  endfor
+  if sw_auxfix=0: for i=1 upto inf_num: &aux_delimiter&info[i] endfor; fi
 enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 mc_num:=first_def_number;
@@ -759,7 +771,7 @@ STb("S{O_3_}")("S","O","O","O"); STb("COOH")("C","O","O","H");
 STb("C{H_3_}")("C","H","H","H"); STb("C{F_3_}")("C","F","F","F");
 %-------------------------------------------------------------------------------------------------
 def mol_check=
-  hide_H:=warning_cnt:=calc_weight:=calc_weightp:=0; calc_formula:="";
+  hide_H:=warning_cnt:=cal_MW:=cal_MWp:=0; cal_FM:="";
   for i=1 upto tbl_max: sumA[i]:=0; endfor
   for i=1 upto cntA: knownA:=nA:=0;
     for j=1 upto cntB: if     (lineB[j]=dl)or(lineB[j]=dr)or(lineB[j]=dm): bondC[j]:=2;
@@ -782,16 +794,16 @@ def mol_check=
   for i=1 upto tbl_max:
     if sumA[i]>=1:
       tmp_wtp:=(wtA[i]/100)*sumA[i];
-      if (tmp_wtp<=40)and(calc_weightp<=40): calc_weight:=calc_weight+(wtA[i]*sumA[i]);
-      else: calc_weightp:=calc_weightp+tmp_wtp; fi
-      calc_formula:=calc_formula&stripP(tblA[i]) if sumA[i]>=2: &decimal(sumA[i]) fi;
+      if (tmp_wtp<=40)and(cal_MWp<=40): cal_MW:=cal_MW+(wtA[i]*sumA[i]);
+      else: cal_MWp:=cal_MWp+tmp_wtp; fi
+      cal_FM:=cal_FM&stripP(tblA[i]) if sumA[i]>=2: &decimal(sumA[i]) fi;
     fi
   endfor
 enddef;
 %------------------------------------------------------------------------------------------------
 def checklist_out=
-  nA:=0; calc_weight_str:="";
-  message "% Molecular name = "& mol_name;
+  nA:=0; cal_MW_str:="";
+  message "% Molecular name = "& inf_EN;
   message "%  There were "&fdr(3)(warning_cnt)&
           " warnings / Expanded command count= "&decimal(cntMC[0]);
   message "%  width * height = " & fdr(8)(max_x-min_x)&" * "&fdr(8)(max_y-min_y);
@@ -806,22 +818,22 @@ def checklist_out=
   for i=1 upto cntB: if lineB[i]<>0: message "% "&fdr(3)(incr nA)&" "&fdr(3)(sB[i])&
                      " -> "&fdr(3)(eB[i])&" ("&fdr(3)(bondC[i]-si+1)&")"; fi endfor
   message "%Fomula / Molecular weight ---------------------------------------";
-  if    calc_weightp<=40: calc_weight_str:=fdr(10)(calc_weight); 
-  else: calc_weight_str:=fdr(10)(calc_weightp)&" * 100"; fi
+  if    cal_MWp<=40: cal_MW_str:=fdr(10)(cal_MW); 
+  else: cal_MW_str:=fdr(10)(cal_MWp)&" * 100"; fi
   for i=1 upto tbl_max:
     if sumA[i]>=1:
        message "% "&fixed_l(4)(stripP(tblA[i]))&"("&fdr(9)(wtA[i])&") * "&fdr(6)(sumA[i])&" = "
        if tmp_wtp<=40: &fdr(12)(wtA[i]*sumA[i]); else: &fdr(12)(tmp_wtp)&" * 100"; fi fi  endfor
-  message "% Weight  Calc: " &calc_weight_str &" / Input: "
-    if mol_weight>0: &decimal(mol_weight) &" / weight gap= " &decimal(calc_weight-mol_weight) fi;
-  message "% Fomula  Calc: "&calc_formula&" / Input: "
-    if mol_formula<>"":&mol_formula&" / "& 
-      if mol_formula=calc_formula: "MACTCH" else: "NOT MACTCH" fi fi;
+  message "% Weight  Calc: " &cal_MW_str &" / Input: "
+    if inf_MW>0: &decimal(inf_MW) &" / weight gap= " &decimal(cal_MW-inf_MW) fi;
+  message "% Fomula  Calc: "&cal_FM&" / Input: "
+    if inf_FM<>"":&inf_FM&" / "& 
+      if inf_FM=cal_FM: "MACTCH" else: "NOT MACTCH" fi fi;
   message "%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%";
 enddef;
 %------------------------------------------------------------------------------------------------
 def MOLfileout=
-  mp_log_name:=jobname&"-"&fit_zero(char_num)&decimal(char_num)&"-"&mol_name&".mol";
+  mp_log_name:=jobname&"-"&fit_zero(char_num)&decimal(char_num)&"-"&inf_EN&".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";
   for i=1 upto cntA: printf fdr(10)(xpart(posA[i])/BL)& fdr(10)(ypart(posA[i])/BL)&