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authorKarl Berry <karl@freefriends.org>2018-05-06 21:49:48 +0000
committerKarl Berry <karl@freefriends.org>2018-05-06 21:49:48 +0000
commit2cf2c2c6b0e2c643ed717299df7ead9c82e595eb (patch)
tree20b2bcbb250063365d123a6f93ab8ad70766320b
parent905323115107c182a860bca6a036889f4fc7f36f (diff)
mcf2graph
git-svn-id: svn://tug.org/texlive/trunk@47634 c570f23f-e606-0410-a88d-b1316a301751
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG11
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/README2
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf14
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdfbin236600 -> 235016 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex2
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf26
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdfbin475263 -> 474538 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex56
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdfbin179812 -> 179479 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex20
-rw-r--r--Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf49
11 files changed, 99 insertions, 81 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
index 7d6f704d48f..f5a81270fb4 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
@@ -1,11 +1,18 @@
*******************************************************************************
- Changelog of mcf2graph software package by Akira Yamaji 2017-01-03
+ Changelog of mcf2graph software package by Akira Yamaji 2018-04-16
*******************************************************************************
+[ver. 4.31 / 2018-04-16]
+ -add command */*n , n:*\* , |<=n
+ */*n : /n~wv
+ n:*\* : n:\~wv
+ |<=n : |<,``n
+ -update MCF manual and examples
+
[ver. 4.30 / 2018-01-03]
-change syntax &n
&n => n:&
-improve address error detection
- -improve exand mode
+ -improve expand mode
-update MCF manual and examples
[ver. 4.29 / 2017-10-29]
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README
index 993299f8dd4..6cf444033df 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 : 4.30 2018-01-03
+ version : 4.31 2018-04-16
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 55d7823f736..5f6a527ede7 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2018.01.03
+% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2018.04.16
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf; %%% it must be version 4.30 or later
+input mcf2graph.mf; %%% it must be version 4.31 or later
%-------------------------------------------------------------------------
font_wd:=33mm;
font_ht:=24mm;
@@ -177,7 +177,7 @@ endfont
beginfont("EN:Rifampicin","MW:822.94")
MCf(<30,Ph,6:/_^30,5:/OH,|,-6=?5,1:O,3://O,2:/*_^60,
|,-8=?6,{2,4}=dl,{1,4}:/OH,
- |<,``1,-2:\,NH,60,//O,-60,/_,60~dl,60,60~dl,-60,
+ |<=1,-2:\,NH,60,//O,-60,/_,60~dl,60,60~dl,-60,
*/_,60,/*OH,-60,/*_,60,/*OH,60,*/_^30,-60,
60,/*_^30,-53,66,-53~dl,66`1.2,O,>|,$8:&,
-4:/*O!,-6:@,-30,O,!,//O,!,$11:\,!!,N,!,|,?6,{1,4}:N,4:/_)
@@ -211,7 +211,7 @@ beginfont("EN:Luciferin","MW:280.33")
endfont
%***************************************************************************
beginfont("EN:Chlorophyll a","MW:893.509")
-MCf(<54,|<,``1,?5,{2,5}=dl,4:N,3:\,54~dl,|,?5,{2,4}=dl,5:N,
+MCf(<54,|<=1,?5,{2,5}=dl,4:N,3:\,54~dl,|,?5,{2,4}=dl,5:N,
-2:\,54~dl,|,?5,2=d,5:N,-2:\~dl,54,|,?5,5=d,5:N,-2:\~dl,$5:&,
-1:@,24,/*COO!^15,72,//O,$1:&,>|,
{2,9,15,20~zf}:/_,8:/!,14:\,!!,
@@ -237,7 +237,7 @@ beginfont("EN:Lycorine","MW:287.315")
endfont
%**************************************************************************
beginfont("EN:Tetrodotoxine","MW:319.27")
- MCf(|<,``1,<60,-90,60,-30`1.15,150,60,$1:&,$3:@,-135,60,-30`1.15,150,$4:&,
+ MCf(|<=1,<60,-90,60,-30`1.15,150,60,$1:&,$3:@,-135,60,-30`1.15,150,$4:&,
$10:\,O,60`1.33,60,$3~si_:&,$8:@,-15~si_,O,$12:&,>|,
$9:@,45,-60,OH,1^120://NH,
{5~zf^-15,7,9^-75,12,13~zf}:/OH,{2,6^180}:NH)
@@ -346,7 +346,7 @@ beginfont("EN:Pyrethrin I","MW:328.452");
endfont;
%***************************************************************************
beginfont("EN:Erythromycin","MW:733.937");
-MCf(<30,|<,``1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,>|,1:&,
+MCf(<30,|<=1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,>|,1:&,
14:O,13:/*!,{1,9}://O,{2,10}:*/_,{4,6^-35,8,12^35}:/*_,
{6^35,11,12^-35}:*/OH,
$3:\*,O,30,|,?6`.7,2:O,{3,5^35}:/_,4:/OH,5^-35:/O!,
@@ -354,7 +354,7 @@ MCf(<30,|<,``1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,>|,1:&,
endfont;
%**************************************************************************
beginfont("EN:Paclitaxel","MW:853.918")
- MCf(?6,5=d,3:@,|<,``1,36,45,45,45,45,>|,$5:&,-4=?6,-4=?4,||,-1=wb,-3=wf,-1:O,
+ MCf(?6,5=d,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)
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
index f91b4bf4315..763f58b333d 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 eba84daff8d..9c078593201 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 2018.01.03
+% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2018.04.16
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
\usepackage{graphicx}
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 dc9e6be63ba..18d32da7acf 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 2018.01.03
+% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2018.04.16
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf; %% it must be version 4.30 or later
+input mcf2graph.mf; %% it must be version 4.31 or later
%------------------------------------------------------------------------
sw_auxout:=0;
sw_mol_frame:=0;
@@ -111,7 +111,7 @@ beginfont("EN:Chain 1")
numberB_end:=6;
ratio_chain_ring:=1;
%----------------------------------------------------------------------
- MCf(<15,-30,45,-45,30,-30,60,
+ MCf(<10,-30,45,-45,30,-30,60,
{1^-75,2^67.5,3^-60,4^75,5^-75,6^60}:/_~dt
)
ext(
@@ -184,10 +184,10 @@ beginfont("EN:branch1")
margin_top_bottom:=2mm;
sw_numberA:=1;
sw_clip:=1;
- numberA_end:=9;
+ numberA_end:=10;
ratio_chain_ring:=1;
%----------------------------------------------------------------------
- MCf(<-30,!8,2:\,!,4:*\,!,6:\*,!,8:\\,!)
+ MCf(<-30,!10,2:\,!,4:*\,!,6:\*,!,8:\\,!,10:*\*,!)
endfont
%***********************************************************************
beginfont("EN:branch2")
@@ -441,15 +441,16 @@ beginfont("EN:substituent 1")
endfont
%***********************************************************************
beginfont("EN:substituent 2")
+ font_wd:=70mm;
font_ht:=15mm;
sw_clip:=1;
- MCf(<-30,!`1,//O,!2`1,/*H,!2`1,*/H,!2`1,**?3,!`1)
+ MCf(<-30,!`1,//O,!2`1,/*H,!2`1,*/H,!2`1,*/*H,!2`1,**?3,!`1)
endfont
%***********************************************************************
beginfont("EN:substituent 3")
font_ht:=18mm;
sw_clip:=1;
- MCf(<30,``1,!2,/_~zf`2^30,!2,*/!2>lr,!2,*/!2>rl,!)
+ MCf(<30,``1,!2,/_`2^30,!2,/!2>lr,!2,/!2>rl,!)
endfont
%***********************************************************************
beginfont("EN:substituent 3")
@@ -475,7 +476,7 @@ beginfont("EN:substituent 5")
margin_top_bottom:=2mm;
sw_clip:=1;
sw_numberA:=1; numberA_end:=8;
- MCf(<30,!7`1,3:/*_`2^30,5:*/!2>lr,7:*/!2>rl)
+ MCf(<30,!7`1,3:/_`2^30,5:/!2>lr,7:/!2>rl)
endfont
%***********************************************************************
beginfont("EN:chain strech direction mode 1")
@@ -906,10 +907,9 @@ beginfont("EN:MCc()")
font_wd:=60mm;
font_ht:=20mm;
sw_font_frame:=1;
- sw_mol_frame:=1;
- MCc(1,1)(<30,?6)
- sw_mol_frame:=1;
- MCc(0.5,0.5)(<30,?6)
+ MCc(1 ,1 )(?6)
+ MCc(0.75,0.75)(?6)
+ MCc(0.5 ,0.5 )(?6)
endfont
%***********************************************************************
beginfont("EN:MCf() ht1")
@@ -1067,7 +1067,7 @@ endfont
beginfont("EN:Atoropin","CAS:51-55-8","FM:C17H23NO3","MW:289.37")
font_ht:=25mm;
MCf(<-30,O,!,//O,!,!,Ph,
- $1:@,-120~zb,|,?7,6:*\^190`1.12,N,/_,3~wb:&,$3:\~wv,!,OH)
+ $1:@,-120~zb,|,?7,6:*\^190`1.12,N,/_,3~wb:&,$3:*\*,!,OH)
endfont
%***************************************************************************
beginfont("EN:Rotenone");
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
index 83fdf3c1590..e6ba522d695 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 c551c31b267..d5e694c8ca4 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 2018.01.03
+% Molecular Coding Format manual by Akira Yamaji 2018.04.16
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
%%%%\documentclass[a4paper,twoside]{article}
@@ -102,7 +102,7 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
real number plus (+): Counterclockwize
real number minus(-): Clockwize
- <15,-30,45,-45,30,-30,60
+ <10,-30,45,-45,30,-30,60
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -134,24 +134,22 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
%-----------------------------------------------------------------------------
\subsubsection{Branch bond}
\begin{verbatim}
- 2:\ : 2:@,0
- 4:*\ : 4:@,0~wf
- 6:\* : 6:@,0~zf
- 8:\\ : 8:@,0~dm
+ 2:\ : 2:@,0
+ 4:*\ : 4:@,0~wf
+ 6:\* : 6:@,0~zf
+ 8:\\ : 8:@,0~dm
+ 10:*\* : 10:@,0~wv
- <30,!8,2:\,!,4:*\,!,6:\*,!,8:\\,!
+ <30,!8,
+ 2:\,!,4:*\,!,6:\*,!,8:\\,!,10:*\*,!
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
\begin{verbatim}
- 2:\~dr : 2:@,0~dr
- 4:\`1.5 : 4:@,0`1.5
- 6:\^15 : 6:@,0^15
-
<-30,!6,
- 2:\~dr,!,
- 4:\`1.5,-90,
- 6:\^15,-60
+ 2:\~dr,!, : 2:@,0~dr,!
+ 4:\`1.5,-90, : 4:@,0`1.5,-90
+ 6:\^15,-60 : 6:@,0^15,-60
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -448,17 +446,18 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
%-----------------------------------------------------------------------------
\subsubsection{Insert modified substituent}
\begin{verbatim}
- // : double (double middle)
- */ : wedge forward
- /* : wedge dotted forward
- ** : direct
+ // : double (double middle)
+ */ : wedge forward
+ /* : wedge dotted forward
+ */* : wave
+ ** : direct
- <30,!,//O,!,/*H,!,*/H,!,/?3,!,**?3,!
+ <30,!,//O,!2,/*H,!2,*/H,!2,*/*H,!2,**?3,!
\end{verbatim}
\MCFstructure
\vspace{-3mm}%
\begin{verbatim}
- // /* */ **
+ // /* */ */* **
\end{verbatim}
%-----------------------------------------------------------------------------
\begin{verbatim}
@@ -467,8 +466,8 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
` : change length
> : change enviroment
- <30,``1,!,/_~zf`2^30,
- !2,*/!2>lr,!2,*/!2>rl,!)
+ <30,``1,!,
+ /_`2^30,!2,/!2>lr,!2,/!2>rl,!)
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -493,7 +492,7 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
^,`,> : change angle,length,environment
<30,!7`1,
- 3:/*_`2^30,5:*/!2>lr,7:*/!2>rl
+ 3:/_`2^30,5:/!2>lr,7:/!2>rl
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -566,8 +565,10 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
\begin{verbatim}
|< : start brock
>| : end brock
+ |<=n : |<,``n
<30,!2,|<,``1.2,!2,>|,!2
+ <30,!2,|<=1.2,!2,>|,!2
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -983,8 +984,9 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
b: ratio molecular hight/font hight
beginfont()
- MCc(1,1)(<30,?6)
- MCc(0.5,0.5)(<30,?6)
+ MCc(1 ,1 )(?6)
+ MCc(0.75,0.75)(?6)
+ MCc(0.5 ,0.5 )(?6)
endfont
\end{verbatim}
\MCFstructure
@@ -1262,7 +1264,7 @@ drawarrow & drawdblarrow:
<-30,O,!,//O,!,!,Ph,
$1:@,-120~zb,
|,?7,6:*\^190`1.02,N,/_,3~wb:&,
- $3:\~wv,!,OH
+ $3:*\*,!,OH
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -1293,7 +1295,7 @@ drawarrow & drawdblarrow:
%-----------------------------------------------------------------------------
\subsection{Paclitaxel}
\begin{verbatim}
- ?6,5=d,3:@,|<,``1,36,45,45,45,45,>|,$5:&,
+ ?6,5=d,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,
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 3952d0bb94a..461372c8694 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 252b8a749da..8d9ce8d6572 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 2018.01.03
+% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2018.04.16
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-%%% mcf2graph.mf it must be version 4.30 or later
+%%% mcf2graph.mf it must be version 4.31 or later
\documentclass{article}
%------------------------------------------------------------------------------
\usepackage{luamplib}%
@@ -41,7 +41,7 @@
font_wd:=80mm; font_ht:=40mm;
beginfont("NO:1","EN:Chlorophyll a","MW:893.49")
MCd(.9,.9)(0,0.5)(<54,
- |<,``1,?5,{2,5}=dl,4:N,3:\,54~dl,|,?5,{2,4}=dl,5:N,
+ |<=1,?5,{2,5}=dl,4:N,3:\,54~dl,|,?5,{2,4}=dl,5:N,
-2:\,54~dl,|,?5,2=dl,5:N,-2:\~dl,54,|,?5,5=dl,5:N,-2:\~dl,$5:&,
-1:@,24,/*COO!^15,72,//O,$1:&,>|,
4:\`1.45,Mg,17:&,-1:@,11~vb:&,-1:@,23~vb:&,
@@ -59,7 +59,7 @@
\end{mplibcode}
\begin{minipage}[b]{85mm}
\begin{verbatim}
-|<,``1,?5,{2,5}=dl,4:N,3:\,54~dl,
+|<=1,?5,{2,5}=dl,4:N,3:\,54~dl,
|,?5,{2,4}=dl,5:N,
-2:\,54~dl,|,?5,2=dl,5:N,
-2:\~dl,54,|,?5,5=dl,5:N,-2:\~dl,$5:&,
@@ -192,7 +192,7 @@ endfont
font_wd:=80mm; font_ht:=35mm;
beginfont("NO:5","EN:Erythromycin","MW:733.93");
MCa(0.8,0.5)(
- <30,|<,``1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,>|,1:&,
+ <30,|<=1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,>|,1:&,
14:O,13:/*Et,{1,9}://O,{2,10}:*/_,{4,6^-35,8,12^35}:/*_,
{6^35,11,12^-35}:*/OH,
$3:\*,O,30,|,?6`.7,2:O,{3,5^35}:/_,4:/OH,5^-35:/O!,
@@ -209,7 +209,7 @@ beginfont("NO:5","EN:Erythromycin","MW:733.93");
\end{mplibcode}
\begin{minipage}[b]{85mm}
\begin{verbatim}
-<30,|<,``1,<-120,60,60,60,-60,60,
+<30,|<=1,<-120,60,60,60,-60,60,
60,-60,60,60,60,-60,60,60,>|,1:&,
14:O,13:/*Et,{1,9}://O,{2,10}:*/_,
{4,6^-35,8,12^35}:/*_,
@@ -226,7 +226,7 @@ $5:\*^30`1.7,O,!,|,?6`.7,6:O,
font_wd:=80mm; font_ht:=35mm;
beginfont("EN:Paclitaxel","MW:853.918")
MCa(0.8,0.5)(
- ?6,5=d,3:@,|<,``1,36,45,45,45,45,>|,$5:&,-4=?6,-4=?4,||,-1=wb,-3=wf,-1:O,
+ ?6,5=d,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
@@ -242,7 +242,7 @@ endfont
\end{mplibcode}
\begin{minipage}[b]{85mm}
\begin{verbatim}
-?6,5=d,3:@,|<,``1,36,45,45,45,45,>|,$5:&,
+?6,5=d,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,
@@ -260,7 +260,7 @@ font_wd:=80mm; font_ht:=65mm;
beginfont("NO:6","EN:Vancomycin","MW:1449.25");
MCa(0.9,0)(
<30,
- |<,``1,!12,{1,3,12}=zf,7=wf,/H^-60,60,*/OH,60,
+ |<=1,!12,{1,3,12}=zf,7=wf,/H^-60,60,*/OH,60,
Ph,-4:/Cl,-3:\,O,!,Ph,-4:\,O,!,Ph,-1^15:/Cl,-3:\,/*OH,*/H^-60,$1:&,
$7:@,$26:&,$1:@,120,//O,60,NH,60,/*H,*/COOH^180,-60,
Ph,{-2,-4}:/OH,-1:\,Ph,-5:/OH,-2:@,$4:&,>|,
@@ -282,7 +282,7 @@ endfont;
\end{mplibcode}
\begin{minipage}[b]{85mm}
\begin{verbatim}
-<30,|<,``1,!12,{1,3,12}=zf,7=wf,
+<30,|<=1,!12,{1,3,12}=zf,7=wf,
/H^-60,60,*/OH,60,Ph,-4:/Cl,
-3:\,O,!,Ph,-4:\,O,!,Ph,-1^15:/Cl,
-3:\,/*OH,*/H^-60,$1:&,
diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
index 3dd99c950c4..875b4e32b1a 100644
--- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
+++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 4.30 Copyright (c) 2013-2018 Akira Yamaji
+% mcf2graph ver 4.31 Copyright (c) 2013-2018 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,
@@ -31,7 +31,7 @@
% Set to use plain.mp label,arrow : mpost -s ahlength=3 FILENAME
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
tracingstats:=1;
-message " This is mcf2graph ver 4.3 2018.01";
+message " This is mcf2graph ver 4.3 2018.04";
%-------------------------------------------------------------------------------------------------
newinternal nA,nB,nC,nD,nE,nF,char_num,str_cnt,sub_usr,sub_int,tbl_cnt;
numeric save_para[],comD[][],parD[][],cntD[],tbl_str_wd[],tbl_atom[],tbl_subst[][],tbl_atom_wt[],
@@ -115,7 +115,7 @@ sub_int_start:=3000; % 3000 => 4000 for internal sub structure (max 1000)
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,_mb,_N,_O,_S,_tmp_line,_chg_len,_get_len,_ring_len,_tmp_len,_rot_ang,_adj_ang,_chg_env,
- _tmp_env,_set_colorA,_set_colorB,_postA,_postB,_postC,_postD,_postE,_postF,_postH,_stack_reset,
+ _tmp_env,_set_colorA,_set_colorB,_postA,_postB,_postC,_postD,_postE,_postF,_postG,_postH,
_set_clr,_set_adr,_mk_bond,_set_atom,_arg_ang,_chg_atom,_tmp_rot,_fuse,_push,_pop,
_size_a,_numeric,_jump_at,_connect_at);
def_com(1)(si,dl,dr,db,dm,tm,wf,wb,bd,bz,zf,zb,dt,wv,nl,vf,vb,si_,wf_,wb_,bd_);
@@ -197,8 +197,8 @@ def endfont=
enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
def set_def_MC=
- save /,//,/*,*/,**,~,~~,^,^^,`,'`,<,>,>>,:>,&,:,=,\,\\,*\,\*,@,$,{,},
- |,||,|<,>|,|:,:|,_,d,w,z,inside_def_MC;
+ save /,//,/*,*/,**,*/*,~,~~,^,^^,`,'`,<,>,>>,:>,&,:,=,\,\\,*\,\*,*\*,@,$,{,},
+ |,||,|<,>|,|<=,|:,:|,_,d,w,z,inside_def_MC;
inside_def_MC:=1;
_:=Me; d:=db; w:=wf; z:=zf;
tertiarydef a=b == change_bond(a,b) enddef;
@@ -213,13 +213,14 @@ def set_def_MC=
tertiarydef a~b == ~~b,a enddef; tertiarydef a>b == :>b,a enddef;
def & == _connect_at enddef;
def @ == _jump_at enddef; def \ == @,0 enddef;
- def \\ == \~dm enddef; def *\ == \~wf enddef; def \* == \~zf enddef;
- def |< == (_push,1) enddef; def >| == (_pop,1) enddef;
- def | == |<,>| enddef; def || == (_stack_reset,0) enddef;
+ def \\ == \~dm enddef; def *\ == \~wf enddef; def \* == \~zf enddef; def *\* == \~wv enddef;
def |: == (_push,0) enddef; def :| == (_pop,0) enddef;
- def /secondary n == (_postA,n) enddef; def //secondary n == (_postB,n) enddef;
- def */secondary n == (_postC,n) enddef; def /*secondary n == (_postD,n) enddef;
- def */*secondary n == (_postE,n) enddef; def **secondary n == (_postF,n) enddef;
+ def |< == (_push,1) enddef; def >| == (_pop,1) enddef;
+ def |<=primary n == ``n,(_push,1) enddef;
+ def | == (_push,2) enddef; def || == (_pop,2) enddef;
+ def /secondary n == (_postA,n) enddef; def //secondary n == (_postB,n) enddef;
+ def */secondary n == (_postC,n) enddef; def /*secondary n == (_postD,n) enddef;
+ def **secondary n == (_postF,n) enddef; def */*secondary n == (_postG,n) enddef;
enddef;
%=================================================================================================
vardef '(text s)= ''(incr sub_usr)(s); sub_usr enddef;
@@ -658,10 +659,14 @@ def proc_bond_atom(expr n)=
for i=n upto cntD[0]:
com:=comD[0][i]; par:=parD[0][i];
if com=_push:
- if par=1: stkL[adrS]:=bondL; stkA[incr adrS]:=adrA:=cntA; stkB[adrS]:=adrB:=cntB;
- elseif par=0: temp_len:=bondL; fi
- elseif com=_pop: if par=1: adrA:=stkA[decr adrS]; adrB:=stkB[adrS]; bondL:=stkL[adrS];
- elseif par=0: bondL:=temp_len; fi
+ if par=1: stkL[adrS]:=bondL; stkA[incr adrS]:=adrA:=cntA; stkB[adrS]:=adrB:=cntB;
+ elseif par=0: temp_len:=bondL;
+ elseif par=2: stkA[adrS+1]:=cntA; stkB[adrS+1]:=cntB;
+ fi
+ elseif com=_pop: if par=1: adrA:=stkA[decr adrS]; adrB:=stkB[adrS]; bondL:=stkL[adrS];
+ elseif par=0: bondL:=temp_len;
+ elseif par=2: stkA[adrS+1]:=0;
+ fi
elseif com=_mk_bond: if (par=0)and(rotT<>0): rotT:=0; fi add_atom;
elseif com=_set_adr: adrT:=par;
elseif com=_set_atom: strAT:=par;
@@ -671,6 +676,7 @@ def proc_bond_atom(expr n)=
elseif com=_postD: lineT:=zf; ps_put;
elseif com=_postE: lineT:=nl; ps_put;
elseif com=_postF: lineT:=0; ps_put;
+ elseif com=_postG: lineT:=wv; ps_put;
elseif com=_postH: lineT:=nl; lenT:=_size_a; ps_put;
elseif com=_jp_bond: termA; tempB:=getB(par); check_adrB(tempB); sB[cntB+1]:=sB[tempB]; f_bra:=1;
elseif com=_jp_atom: termA; tempA:=getA(par); check_adrA(tempA); sB[cntB+1]:=tempA; f_bra:=1;
@@ -700,7 +706,6 @@ def proc_bond_atom(expr n)=
if lenT<>crR: f_lenT:=1; fi if envT<>hz: f_envT:=1; fi
elseif par=0: f_lineT:=f_rotT:=f_lenT:=f_envT:=rotT:=envT:=0; lineT:=si; lenT:=crR;
fi
- elseif com=_stack_reset: stkA[adrS+1]:=0;
elseif com=_term: termA;
elseif com=_set_colorA: colorA[getA(adrT)]:=par;
elseif com=_set_colorB: colorB[getB(adrT)]:=par;
@@ -732,9 +737,13 @@ def proc_skeleton=
com:=comD[0][i]; par:=parD[0][i];
if com=_push: if par=1: stkM[adrS]:=envB; adrS:=adrS+1; stkA[adrS]:=adrA:=cntA;
stkB[adrS]:=adrB:=cntB;
- elseif par=0: temp_len:=bondL; fi
+ elseif par=0: temp_len:=bondL;
+ elseif par=2: stkA[adrS+1]:=cntA; stkB[adrS+1]:=cntB;
+ fi
elseif com=_pop: if par=1: adrA:=stkA[decr adrS]; adrB:=stkB[adrS]; envB:=stkM[adrS];
- elseif par=0: temp_len:=bondL; fi
+ elseif par=0: temp_len:=bondL;
+ elseif par=2: stkA[adrS+1]:=0;
+ fi
elseif com=_jp_bond: termB; tempB:=getB(par); posBs:=posA[sB[tempB]];
angT:=angB[tempB]; f_bra:=1; rotT:=0;
elseif com=_jp_atom: termB; adrT:=getA(par); posBs:=posA[adrT];
@@ -754,7 +763,7 @@ def proc_skeleton=
elseif com=_cyc_sB: f_end:=1; proc_cyc(sB[getB(par)]);
elseif com=_cyc_eB: f_end:=1; proc_cyc(eB[getB(par)]);
elseif com=_term: termB;
- elseif com=_stack_reset: stkA[adrS+1]:=0;
+%%%%%%%%% elseif com=_stack_reset: stkA[adrS+1]:=0;
fi
endfor
enddef;
@@ -955,7 +964,7 @@ Na:='("{Na}");Ca:='("{Ca}");Hg:='("{Hg}");Ni:='("{Ni}");Ti:='("{Ti}");U:='("U");
R:='("R"); R1:='("{R^1^}"); R2:='("{R^2^}"); R3:='("{R^3^}"); R4:='("R^4^"); R5:='("{R^5^}");
%-------------------------------------------------------------------------------------------------
CHO:='("CHO"); OH:='("OH"); COOH:='("COOH"); CH2:='("C{H_2_}"); CH3:='("C{H_3_}"); CN:='("CN");
-NH2:='("N{H_2_}"); NO2:='("N{O_2_}"); SH:='("SH"); SO3:='("S{O_3_}"); NH:='(N,*/*H);
+NH2:='("N{H_2_}"); NO2:='("N{O_2_}"); SH:='("SH"); SO3:='("S{O_3_}"); NH:='(N,(_postE,H));
NMe:=N!:='(N,/Me); iPr:=Me!:='(/Me,60); tBu:='(/Me,/Me^60,60); SO:='(S,//O);
SOO :='(S,//O^-35,//O^35);
OMe:=O!:='(O,!); OEt:=O!2:='(O,!x2); OPr:=O!3:='(O,!x3); OiPr:=OMe!:='(O,!,iPr);