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authorKarl Berry <karl@freefriends.org>2016-04-04 21:15:45 +0000
committerKarl Berry <karl@freefriends.org>2016-04-04 21:15:45 +0000
commit17a40eea99838f7f911c046cc779cbf84d5a368c (patch)
treeb34821493c98785d8508456df3229b8143eeb6ed /Master
parent053027c68f32a28ada3d56a3acd5bdf63b73942d (diff)
mcf2graph (4apr16)
git-svn-id: svn://tug.org/texlive/trunk@40235 c570f23f-e606-0410-a88d-b1316a301751
Diffstat (limited to 'Master')
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG6
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/README2
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf3
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdfbin247916 -> 247652 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex26
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf20
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdfbin419062 -> 418934 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex62
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdfbin123296 -> 123456 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex7
-rw-r--r--Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf16
11 files changed, 77 insertions, 65 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
index 1e7f54b543e..62fbf8693c7 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 2016-04-01
+ Changelog of mcf2graph software package by Akira Yamaji 2016-04-04
*******************************************************************************
+[ver. 3.87 / 2016-04-04]
+ -change aux infomation separater(, => ;)
+ a lot of molecular name include ','
+
[ver. 3.86 / 2016-04-02]
-change aux output format(command => csv)
-update MCF syntax manual
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README
index a7f1cd5c91a..bdb53ee5e24 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 : 3.86 2016-04-02
+ version : 3.87 2016-04-04
E-mail : mcf2graph@gmail.com
Located at : http://www.ctan.org/pkg/mcf2graph
********************************************************************************
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 697bc56d1fc..387d6e15386 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
@@ -10,7 +10,6 @@ max_bond_width:=0.15;
sw_auxout:=1;
sw_frame:=0;
sw_atom_frame:=0;
-sw_numberB:=0;
sw_expand:=0;
sw_start_vector:=0;
%%%% var3:="len_x"; tag3:="Lx";
@@ -321,7 +320,7 @@ beginfont("EN:Baicalein");
endfont;
%***************************************************************************
beginfont("EN:Reserpine");
- MCf(<30,Ph,-4=?5,-2=?6,-4=?6,-3=?6,9=dl,11:N,7:NH,10:*/H^-60,
+ MCf(<54,Ph,-4=?5,-2=?6,-4=?6,-3=?6,9=dl,11:N,7:NH,10:*/H^-60,
@(15^-60,16^60)/*H,
#20*\,O,!,//O,!,|,Ph,@(-2,-3,-4)/OMe,@(#1,#19~zf>rl)/OMe,
#18*\,//O,!,O,!)
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
index 3a9d85158c6..be012b753a0 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 9752ba06246..d4344c996ab 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 2016.4.2
+% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2016.4.4
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
\usepackage{graphicx}
@@ -48,13 +48,23 @@
\advance\fontnum\@ne\relax\advance\tnum\@ne\relax%
\ifnum\tnum=5 \\ \tnum=0\relax \fi%
}
-%-------------------------------------------------------------------------------
-\def\inputINFO#1{%
-\openin\@auxf=#1%
-\CONT@true%
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% copied from ltcntrl.dtx [2014/04/21 v1.0h LaTeX Kernel (program control)]
+% modify @for (separater=",") to @for@semi (separater=";")
+%--------------------------------------------------------------------------------
+\def\@for@semi#1:=#2\do#3{\expandafter\def\expandafter\@for@tmp\expandafter{#2}%
+ \ifx\@for@tmp\@empty \else \expandafter\@for@loop#2;\@nil;\@nil\@@#1{#3}\fi}%
+\def\@for@loop#1;#2;#3\@@#4#5{\def#4{#1}\ifx #4\@nnil \else%
+ #5\def#4{#2}\ifx #4\@nnil \else#5\@ifor@loop #3\@@#4{#5}\fi\fi}%
+\def\@ifor@loop#1;#2\@@#3#4{\def#3{#1}\ifx #3\@nnil%
+ \expandafter\@for@noop \else #4\relax\expandafter\@ifor@loop\fi#2\@@#3{#4}}%
+\def\@for@noop#1\@@#2#3{}%
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\def\inputINFOS#1{\openin\@auxf=#1\CONT@true%
\loop
-\read\@auxf to \tempinfo%
-\ifeof\@auxf\CONT@false\else\@for\@temp:=\tempinfo\do{\mol@sel\@temp}%
+\read\@auxf to \temp@info%
+\ifeof\@auxf\CONT@false\else%
+\@for@semi\@temp:=\temp@info\do{\mol@sel\@temp}%
\put@char\fi%
\ifCONT@ \repeat
\closein\@auxf}%
@@ -70,7 +80,7 @@
\fontnum=1%
\noindent%
%------------------------------------------------------------------------
-\inputINFO{mcf_exa_soc-info.aux}%
+\inputINFOS{mcf_exa_soc-info.aux}%
%------------------------------------------------------------------------
\end{document}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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 6fc91555202..fe96aa8e873 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2016.04.2
+% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2016.04.4
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
input mcf2graph.mf;
%------------------------------------------------------------------------
@@ -519,9 +519,14 @@ MCf(<30,?6,-4=?5,$(3,8)dl,@(2,6,7,9)N,@(2,6,9)/Me,@(1,5)//O)
endfont
%***********************************************************************
%% Output additional infomation
-beginfont("EN:Caffeine","CAS:58-08-2")
+beginfont("EN:Tocopherol","CAS:59-02-9")
sw_logout:=1;
-MCf(<30,?6,-4=?5,$(3,8)dl,@(2,6,7,9)N,@(2,6,9)/Me,@(1,5)//O)
+MCf(<30,Ph,3=?6,7:O,@(1,2,5)/Me,8:/*Me^60,6:/OH,8\,|,!12,@(4,8)/*Me,12:/Me)
+endfont
+%***********************************************************************
+%% Change infomation separater
+beginfont("EN:Warfarin","CAS:81-81-2")
+MCf(<30,Ph,3=?6,10:O,7:/OH,9://O,8\,/Ph`1,60,!,//O,!)
endfont
%***********************************************************************
beginfont("EN:Ampicillin")
@@ -540,13 +545,6 @@ beginfont("EN:Cholesterol")
-1\^17,/*Me,!4,/Me,!,
)
endfont
-%***********************************************************************
-beginfont("EN:alfa-Tocopherol")
- MCf(<30,
- Ph,3=?6,7:O,@(1,2,5)/Me,8:/*Me^60,6:/OH,
- 8\,|,!12,@(4,8)/*Me,12:/Me
- )
-endfont
%***************************************************************************
beginfont("EN:Colchicine")
MCf(<30,Ph,@(1,2,6)/OMe,|,-4=?7,
@@ -593,5 +591,3 @@ beginfont("EN:Paclitaxel")
endfont
%***********************************************************************
bye
-**************
-bye
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
index 79712057dba..7a6ac9c106d 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_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
index 8ae0ac72530..acc54e69e88 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 2016.04.2
+% Molecular Coding Format manual by Akira Yamaji 2016.04.4
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
\usepackage[dvipdfmx]{graphicx}
@@ -113,13 +113,13 @@ bye
\frame{\makebox(100,44){\@strufont\char0}}\vspace{6mm}\\
%----------------------------------------------------------------------------
\noindent%
-{\bf (Molecular information output)}
+{\bf (Molecular information output)}\\
+'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;MWc:893.48962;FMc:C55H72MgN4O5;NO:1;EN:Chlorophyll a;MW:893.49
\end{verbatim}
-'filename'-info.aux : for use in \TeX, it takes over filename,
-char number, molecular information,etc.\\
+( tag : variable )\\
F:filename C:char number,MWc:molecular weight calculated,
FMc:molecular formula calculated\\
NO:serial number, EN:english name,
@@ -1150,7 +1150,8 @@ beginfont() MCd(1,.4)( 1,.5)(Ph) endfont
var3:="calc_weight"; tag3:="MWc";
var4:="calc_formula"; tag4:="FMc";
%% Output to mcf_man_soc-info.aux %%
-F:mcf_man_soc,C:82,MWc:194.19174,FMc:C8H10N4O2
+F:mcf_man_soc;C:85;MWc:194.19174;FMc:C8H10N4O2
+
MWc:calculated molecular weight
FMc:calculated molecular formula
\end{verbatim}
@@ -1161,10 +1162,11 @@ FMc:calculated molecular formula
\begin{minipage}[t][37mm]{90mm}
\MCFtitle{Output additional information}
\begin{verbatim}
-beginfont("EN:Caffeine","CAS:58-08-2")
+beginfont("EN:Tocopherol","CAS:59-02-9")
MCf(...) endfont
%% Output to mcf_man_soc-info.aux %%
-F:mcf_man_soc ,C:83 ,EN:Caffeine ,CAS:58-08-2
+F:mcf_man_soc;C:86;EN:Tocopherol;CAS:59-02-9
+
*F:filename *C:char number EN:molecular name
CAS:CAS number *:default output
\end{verbatim}
@@ -1173,6 +1175,22 @@ CAS:CAS number *:default output
\vspace{5mm}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][37mm]{90mm}
+\MCFtitle{Change aux information separater}
+\begin{verbatim}
+aux_separater:="/";
+beginfont("EN:Warfarin","CAS:81-81-2")
+MCf(...) endfont
+%% Output to mcf_man_soc-info.aux %%
+F:mcf_man_soc/C:87/EN:Warfarin/CAS:81-81-2
+
+**default aux_separater=";"
+
+\end{verbatim}
+\end{minipage}
+\MCFstructure
+\vspace{5mm}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][37mm]{90mm}
\MCFtitle{Example(1) Ampicillin}
\begin{verbatim}
@@ -1199,19 +1217,7 @@ CAS:CAS number *:default output
\vspace{5mm}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][37mm]{90mm}
-\MCFtitle{Example(3) alfa-Tocopherol}
-\begin{verbatim}
-
- <30,Ph,3=?6,
- 7:O,@(1,2,5)/Me,8:/*Me^60,6:/OH,
- 8\,|,!12,@(4,8)/*Me,12:/Me
-\end{verbatim}
-\end{minipage}
-\MCFstructure
-\vspace{5mm}\\
-%-----------------------------------------------------------------------------
-\begin{minipage}[t][37mm]{90mm}
-\MCFtitle{Example(4) Colchicine}
+\MCFtitle{Example(3) Colchicine}
\begin{verbatim}
<30,Ph,@(1,2,6)/OMe,|,-4=?7,
|,-5=?7,$(-1,-4,-6)dl,-2://O,-3:/OMe,
@@ -1222,7 +1228,7 @@ CAS:CAS number *:default output
\vspace{5mm}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][37mm]{90mm}
-\MCFtitle{Example(5) Lycorine}
+\MCFtitle{Example(4) Lycorine}
\begin{verbatim}
<30,Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3],
@@ -1234,7 +1240,7 @@ CAS:CAS number *:default output
\vspace{5mm}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][37mm]{90mm}
-\MCFtitle{Example(6) Gibberellin}
+\MCFtitle{Example(5) 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,
@@ -1247,7 +1253,7 @@ CAS:CAS number *:default output
\vspace{5mm}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][37mm]{90mm}
-\MCFtitle{Example(7) Capsaicin}
+\MCFtitle{Example(6) Capsaicin}
\begin{verbatim}
<30,Ph,
1:/OH,6:/OMe,4\,!,NH,!,//O,
@@ -1258,7 +1264,7 @@ CAS:CAS number *:default output
\vspace{5mm}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][37mm]{90mm}
-\MCFtitle{Example(8) Quinine}
+\MCFtitle{Example(7) Quinine}
\begin{verbatim}
<30,Ph,3=Ph,7:N,6:/OMe,
10\,*/OH,/H~zf^-60,!,
@@ -1271,7 +1277,7 @@ CAS:CAS number *:default output
\vspace{5mm}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][37mm]{90mm}
-\MCFtitle{Example(9) Atoropin}
+\MCFtitle{Example(8) Atoropin}
\begin{verbatim}
<-30,O,!,//O,!,!,Ph,
#1\~zb^-120,
@@ -1283,7 +1289,7 @@ CAS:CAS number *:default output
\vspace{5mm}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][37mm]{90mm}
-\MCFtitle{Example(10) Paclitaxel}
+\MCFtitle{Example(9) 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 a8933bdcbd7..45b22998aab 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 3309cb5bf90..c77bd1c2416 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 2016.4.2
+% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2016.4.4
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass{article}
%------------------------------------------------------------------------------
@@ -10,6 +10,7 @@
input mcf2graph.mf;
mp_log_name:="temp-info.aux";
sw_auxout:=1;
+ aux_separater:=",";
var3:="len_x"; tag3:="Lx";
var4:="calc_weight"; tag4:="MWc";
var5:="calc_formula"; tag5:="FMc";
@@ -39,9 +40,7 @@
\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\inputINFO#1{%
-\openin\@auxf=#1%
-\CONT@true%
+\def\inputINFO#1{\openin\@auxf=#1\CONT@true%
\loop
\read\@auxf to \tempinfo%
\ifeof\@auxf\CONT@false\else \@for\@temp:=\tempinfo\do{\mol@sel\@temp} \fi%
diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
index 956149c65e2..ce075442a5f 100644
--- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
+++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 3.86 Copyright (c) 2013-2016 Akira Yamaji
+% mcf2graph ver 3.87 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 2016.3";
+message " This is mcf2graph ver 3.8 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[],
@@ -39,16 +39,14 @@ numeric angB[],angA[],br_ang[],sB[],eB[],f_FON[],atom_w[],atom_h[],atom_d[],strA
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;
+ calc_formula,mp_log_name,mol_name,mol_formula,calc_weight_str,info_str,aux_separater;
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;
-numberA_start:=numberB_start:=1; numberA_end:=numberB_end:=4095;
-info_str:="\INFO"; aux_max:=20;
-var1:="jobname"; tag1:="F";
-var2:="char_num"; tag2:="C";
+numberA_start:=numberB_start:=1; numberA_end:=numberB_end:=4095; aux_max:=20;
+aux_separater:=";"; var1:="jobname"; tag1:="F"; var2:="char_num"; tag2:="C";
for i=3 upto aux_max: var[i]:=tag[i]:=""; endfor
%-------------------------------------------------------------------------------------------------
if known green: f_MP:=1;
@@ -568,11 +566,11 @@ enddef;
vardef fit_zero(expr n)=if n<=9: "00" elseif n<=99: "0" fi enddef;
def auxfile_out=
for i=1 upto aux_max: exitif var[i]="";
- if i=1: printf "" else: &" ," fi &tag[i]&":"&
+ if i=1: printf "" else: &aux_separater 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: &" ,"&info[i] endfor;
+ for i=1 upto info_num: &aux_separater&info[i] endfor;
enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
mc_num:=first_def_number;