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-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG8
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/README7
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf13
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdfbin282495 -> 282475 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex7
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf53
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdfbin594168 -> 594219 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex24
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdfbin172091 -> 172190 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex5
10 files changed, 58 insertions, 59 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
index fa35cf4dd94..36a80e4aede 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
@@ -1,6 +1,12 @@
*******************************************************************************
- Changelog of mcf2graph software package by Akira Yamaji 2019-07-07
+ Changelog of mcf2graph software package by Akira Yamaji 2019-10-05
*******************************************************************************
+[ver. 4.45 / 2019-10-05]
+ -improve function ext()
+ -delete option parameter sw_auxfix
+ sw_auxfix=1 => sw_aux_out=2
+ -update MCF manual,example
+
[ver. 4.44 / 2019-07-07]
-improve to ignore unknown command
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README
index 879a75196ab..d9538548e2b 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 : 4.44 2019-07-07
+ version : 4.45 2019-10-05
E-mail : mcf2graph@gmail.com
Located at : http://www.ctan.org/pkg/mcf2graph
********************************************************************************
@@ -37,8 +37,9 @@
( 4) >mpost -s ahangle=1 FILENAME => output png file
( 5) >mpost -s ahangle=2 FILENAME => output svg file
( 6) >mpost -s ahangle=3 FILENAME => output eps file (.eps)
- ( 7) >mpost -s ahlength=1 FILENAME => output aux file
- ( 8) >mpost -s ahlength=2 FILENAME => output report file
+ ( 7) >mpost -s ahlength=1 FILENAME => output aux file (tag1:var1;tag2:var2;)
+ ( 7) >mpost -s ahlength=2 FILENAME => output aux file (tag1;tag2; var1;var2;)
+ ( 8) >mpost -s ahlength=3 FILENAME => output report file
( 9) >mpost -s ahlength=5 FILENAME => output mol file(V2000)
(10) >mpost -s ahlength=6 FILENAME => output mol file(V3000)
(11) >mpost -s labeloffset=1 FILENAME => use plain.mp 'label','drawarrow'
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 7ade70ca727..99101f031f6 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
@@ -1,12 +1,12 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2019.07.07
+% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2019.10.05
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf; %%% it must be version 4.44 or later
+input mcf2graph.mf; %%% it must be version 4.45 or later
%-------------------------------------------------------------------------
fsize:=(33mm,24mm);
max_blength:=4.5mm;
%-------------------------------------------------------------------------
-%%%%sw_aux_out:=1;
+%%%%sw_aux_out:=1; % or 2
%%%%sw_fframe:=1;
%%%%sw_aframe:=1;
%%%%sw_mframe:=1;
@@ -14,7 +14,6 @@ max_blength:=4.5mm;
var3:="cal_FM"; tag3:="cFM";
var4:="cal_MW"; tag4:="cMW";
%%%% outputtemplate:="%3c-%j.png";
-%%%% sw_auxfix:=1;
%%%% var3:="mol_wd"; tag3:="mWD";
%%%% var4:="mol_ht"; tag4:="mHT";
%%%% var5:="cal_MW"; tag5:="cMW";
@@ -22,13 +21,17 @@ var4:="cal_MW"; tag4:="cMW";
%%%% var7:="cal_FM"; tag7:="cFM";
%%%% var8:="inf_USE"; tag8:="USE";
%%%% var9:="inf_EXA"; tag9:="EXA";
-%%%% auxtag_out;
%%%% sw_rep_out:=1;
%%%% sw_mol_out:=1;
%%%% atomfont:="uhvb8r";
%%%% atomfont:="cmtt8";
%%%% atomfont:="cmvtt10";
%%%% outputformat:="png"; hppp:=vppp:=0.1; outputtemplate:="%j-%3c.png";
+%---------------------------------------------------------------------------
+%%%% ext(nA:=10mm; pickup pencircle scaled 0.1pt;
+%%%% draw(0,0)--(w,0)--(w,h)--(0,h)--cycle;
+%%%% for i=nA step nA until w: draw(i,0)--(i,h); endfor
+%%%% for i=nA step nA until h: draw(0,i)--(w,i); endfor );
%***************************************************************************
beginfont("EN:Acetamiprid","MW:222.676","FM:C10H11ClN4")
MC(<30,Ph,2:N,1:/Cl,4:\,!,N,/_,!,/_,!!,N,!,CN)
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
index 0d9a7977c9c..6963eb33fa9 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 5e26c477d72..41548467ebf 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 2019.05.26
+% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2019.10.05
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
\usepackage{graphicx}
@@ -38,15 +38,16 @@
\def\@fst@param#1:#2;{#1}\def\@sec@param#1:#2;{#2}%
\def\@stru#1[#2]{\font\@strufont=#1\relax\hbox{\@strufont\char#2}}%
%-------------------------------------------------------------------------------
+\font\labelM=cmtt8 at 6pt%
\def\put@char{%
\unitlength=0.01mm\relax \@tempcnta=3300\relax \@tempcntb=3750\relax%
\begin{picture}(\@tempcntb,\@tempcnta)%
\advance\@tempcnta -300\relax%
\put(20,\@tempcnta){\footnotesize\bf [\the\fontnum] \MOLnameE}%
\advance\@tempcnta -250\relax%
- \put(20,\@tempcnta){\tiny\tt MW:\CALmw { / }FM:\CALfm}%
+ \put(20,\@tempcnta){\labelM MW:\CALmw { / }FM:\CALfm}%
\advance\@tempcnta -220\relax%
- \put(20,\@tempcnta){\tiny\tt MW:\MOLmw(data)}%
+ \put(20,\@tempcnta){\labelM MW:\MOLmw(data)}%
\put( 0,0){\makebox(\@tempcntb,\@tempcnta){\@stru{\MOLfile}[\MOLchar]}}%
\end{picture}%
}
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 53e5a5671d7..a64742bb3be 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2019.07.07
+% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2019.10.05
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf; %% it must be version 4.44 or later
+input mcf2graph.mf; %% it must be version 4.45 or later
%------------------------------------------------------------------------
sw_mframe:=0;
sw_expand:=0;
@@ -1005,7 +1005,10 @@ sw_trimming:=1;
%***************************************************************************
beginfont("EN:Acetamiprid","MW:222.676")
fsize:=(60mm,18mm);
- MC(<30,Ph,2:N,1:/Cl,4:\,!,N,/_,!,/_,!!,N,!,CN)
+ MC(
+ <30,Ph,2:N,1:/Cl,
+ 4:\,!,N,/_,!,/_,!!,N,!,CN
+ )
endfont
%***************************************************************************
beginfont("EN:Fenitrothion","MW:277.231")
@@ -1097,17 +1100,23 @@ endfont;
%***************************************************************************
beginfont("EN:Validamycin")
fsize:=(60mm,20mm);
- MC(<30,?6,{5,6}:/OH,3:/!OH>rl,
- $4:\,O,-60,|,?6,2:O,{3,4,5}:/OH,6:/!OH,
- $1:\,NH,!,|,?6,2=dl,{4,5,6}:/OH,3:/!OH)
+ MC(
+ <30,?6,{5,6}:/OH,3:/!OH>rl,
+ $4:\,O,-60,|,?6,2:O,{3,4,5}:/OH,6:/!OH,
+ $1:\,NH,!,|,?6,2=dl,{4,5,6}:/OH,3:/!OH
+ )
endfont
%***************************************************************************
beginfont("EN:Paclitaxel","CAS:33069-62-4","FM:C47H51NO14","MW:853.91")
- MC(?6,5=dl,3:@,|<,``1,36,45,45,45,45,>|,
- $5:#,-4=?6,-4=?4,-1=wb,-3=wf,-1:O,||,
- {4^35,4^-35,6}:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O,
- 1:\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph,
- 7:\*,O,-45,//O,60,Ph,11:*\,O,-60,//O,60,12:\*^-15,O,60,//O,-60)
+ MC(
+ ?6,5=dl,3:@,|<,``1,36,45,45,45,45,>|,
+ $5:#,-4=?6,-4=?4,-1=wb,-3=wf,-1:O,||,
+ {4^35,4^-35,6}:/_,{3^-60,15}:*/OH,8:/*H^-60,
+ 9:*/_^60,10://O,
+ 1:\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph,
+ 7:\*,O,-45,//O,60,Ph,11:*\,O,-60,//O,60,
+ 12:\*^-15,O,60,//O,-60
+ )
endfont
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
beginfont("EN:Ampicillin","MW:349.405")
@@ -1120,23 +1129,11 @@ endfont
beginfont("EN:Cholesterol","CAS:57-88-5","FM:C27H46O","MW:386.65")
fsize:=(60mm,15mm);
MC(
- <30,?6,{-4,-2}=?6,-4=?5,7=dl,
- 1:*/OH,{4,12}:*/_^60,9:*/H^60,
- 10:/*H^180,11:/*H^-60,17:/*H^-54,
- -1:@,18,/*_,-60,!3,/_,!,
- )
-endfont
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-bye
-?6,{-4,-2}=?6,-4=?5,7=dl,
- 1:*/OH,{4,12}:*/_^60,9:*/H^60,
- 10:/*H^180,11:/*H^-60,17:/*H^-54,
- -1:@,18,/*_,-60,!3,/_,!,
- )
+ <30,?6,{-4,-2}=?6,-4=?5,7=dl,
+ 1:*/OH,{4,12}:*/_^60,9:*/H^60,
+ 10:/*H^180,11:/*H^-60,17:/*H^-54,
+ -1:@,18,/*_,-60,!3,/_,!
+ )
endfont
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
bye
-%%%%%
-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 b76b2dc02aa..26d32a85475 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 71ca0286fd0..272451b4dc6 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 2019.07.07
+% Molecular Coding Format manual by Akira Yamaji 2019.10.05
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
%%%%\documentclass[a4paper,twoside]{article}
@@ -1367,14 +1367,6 @@ beginfont("NO:4","EN:beta-carotene) > begin font(information)
|,?6,6=dl,{6,2^35,2^-35}:/_) > end MCF
endfont > end font
%------------------------------------------------------------------------
-beginfont("NO:5","EN:Gibberellin A3"); > begin font(information)
- MC(<18,?5,3=?7,5=?6[12], > begin MCF (5)
- 8:@,160`1.3,3:#,13=dl,6=wf,8=wb, >
- 5:@,40~zf`1,O,60,//O^180,14~zb:#, >
- 2:/COOH,7://_,13:*/OH,8:/*OH, >
- 14:*/_,{1^60,4^60}:*/H) > end MCF
-endfont; > end font
-%------------------------------------------------------------------------
bye
\end{verbatim}
%------------------------------------------------------------------------
@@ -1383,12 +1375,14 @@ bye
\subsection{Information auxfile output}
\paragraph{(Insert option parameter setting)}
\begin{verbatim}
- sw_aux_out:=1;
+ sw_aux_out=1 : tag1:var1;tag2:var2
+ sw_aux_out=2 : tag1;tag2 var1;var2
** default : sw_aux_out=0
\end{verbatim}
\paragraph{(Command line)}
\begin{verbatim}
- >mpost -s ahlength=1 FILENAME
+ >mpost -s ahlength=1 FILENAME (sw_aux_out=1)
+ >mpost -s ahlength=2 FILENAME (sw_aux_out=2)
\end{verbatim}
\paragraph{(Sourse)}
\begin{verbatim}
@@ -1396,7 +1390,6 @@ beginfont("EN:Ampicillin")(....)
beginfont("EN:Cholesterol")(....)
beginfont("EN:Limonin")(....)
beginfont("EN:beta-Carotene")(....)
-beginfont("EN:Gibberellin A3")(....)
\end{verbatim}
\paragraph{(Setting)}
\begin{verbatim}
@@ -1407,27 +1400,24 @@ tag4:="cFM"; var4:="calc_formula";
\end{verbatim}
\paragraph{(Output)}
\begin{verbatim}
-(sw_auxfix=0)
+(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
-F:mcf_exa_soc;C:5;cMW:346.3742;cFM:C19H22O6;EN:Gibberellin A3
-(sw_auxfix=1)
+(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
-mcf_exa_soc;5;346.3742;C19H22O6;Gibberellin A3
(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_exa_soc/C:5/cMW:346.3742/cFM:C19H22O6/EN:Gibberellin A3
\end{verbatim}
\paragraph{(Tag)}
\begin{verbatim}
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 cf946f3f498..0ad6c716f0f 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 b71e80a2f7b..ac29ba5441d 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2019.07.07
+% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2019.10.05
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-%%% mcf2graph.mf it must be version 4.44 or later
+%%% mcf2graph.mf it must be version 4.45 or later
\documentclass{article}
%------------------------------------------------------------------------------
\usepackage{luamplib}%
@@ -38,6 +38,7 @@
{{\tt FM(C) :} molecular formula calculated by mcf2graph\\
{{\tt MW(C) :} molecular weight calculated by mcf2graph\\
{{\tt MW(D) :} molecular weight from literature data\vspace{5mm}\\
+%------------------------------------------------------------------------------------
\begin{mplibcode}
fsize:=(80mm,40mm);
beginfont("NO:1","EN:Chlorophyll a","MW:893.49")