texlive[45032] Master/texmf-dist: mcf2graph (13aug17)
commits+karl at tug.org
commits+karl at tug.org
Sun Aug 13 23:01:02 CEST 2017
Revision: 45032
http://tug.org/svn/texlive?view=revision&revision=45032
Author: karl
Date: 2017-08-13 23:01:02 +0200 (Sun, 13 Aug 2017)
Log Message:
-----------
mcf2graph (13aug17)
Modified Paths:
--------------
trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
trunk/Master/texmf-dist/doc/metapost/mcf2graph/README
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-064.eps
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG 2017-08-13 07:14:48 UTC (rev 45031)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG 2017-08-13 21:01:02 UTC (rev 45032)
@@ -1,6 +1,10 @@
*******************************************************************************
- Changelog of mcf2graph software package by Akira Yamaji 2017-07-23
+ Changelog of mcf2graph software package by Akira Yamaji 2017-08-13
*******************************************************************************
+[ver. 4.26 / 2017-08-13]
+ -improve label emulation
+ -update MCF syntax manual
+
[ver. 4.25 / 2017-07-23]
-improve label,arrow emulation
-change variable name
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/README
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/README 2017-08-13 07:14:48 UTC (rev 45031)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/README 2017-08-13 21:01:02 UTC (rev 45032)
@@ -1,7 +1,7 @@
********************************************************************************
mcf2graph : Convert Molecular Coding Format to graphics with METAFONT/METAPOST
Author : Akira Yamaji
- version : 4.25 2017-07-23
+ version : 4.26 2017-08-13
E-mail : mcf2graph at gmail.com
Located at : http://www.ctan.org/pkg/mcf2graph
********************************************************************************
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf 2017-08-13 07:14:48 UTC (rev 45031)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf 2017-08-13 21:01:02 UTC (rev 45032)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2017.07.23
+% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2017.08.13
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf; %%% it must be version 4.25 or later
+input mcf2graph.mf; %%% it must be version 4.26 or later
%-------------------------------------------------------------------------
font_wd:=33mm;
font_ht:=24mm;
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
===================================================================
(Binary files differ)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-064.eps
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-064.eps 2017-08-13 07:14:48 UTC (rev 45031)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-064.eps 2017-08-13 21:01:02 UTC (rev 45032)
@@ -2,7 +2,7 @@
%%BoundingBox: -1 -1 212 60
%%HiResBoundingBox: -0.09962 -0.09962 211.90288 59.64348
%%Creator: MetaPost 2.000
-%%CreationDate: 2017.07.23:0937
+%%CreationDate: 2017.08.12:2126
%%Pages: 1
%%DocumentResources: procset mpost-minimal
%%+ font NJFVSO-NimbusSanL-Regu ICXWUR-CMR8
@@ -627,23 +627,23 @@
172.64706 9.18266 lineto stroke
newpath 162.09586 34.62903 moveto
172.64706 40.7208 lineto stroke
-124.69017 11.39201 moveto
+126.2985 11.39201 moveto
(N) cmr8 7.73563 fshow
141.45183 40.42401 moveto
(N) cmr8 7.73563 fshow
173.03534 2.83464 moveto
(C) cmr8 7.73563 fshow
-180.80003 2.83464 moveto
+178.97145 2.83464 moveto
(O) cmr8 7.73563 fshow
-188.56473 2.83464 moveto
+185.36418 2.83464 moveto
(O) cmr8 7.73563 fshow
-196.32942 2.83464 moveto
+191.75691 2.83464 moveto
(H) cmr8 7.73563 fshow
173.03534 39.30405 moveto
(N) cmr8 7.73563 fshow
-180.80003 39.30405 moveto
+179.19171 39.30405 moveto
(O) cmr8 7.73563 fshow
-188.56473 35.42169 moveto
+185.58444 35.42169 moveto
(2) cmr8 7.73563 fshow
126.79016 52.25127 moveto
(\(cmr8\)) uhvr8r 9.96265 fshow
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf 2017-08-13 07:14:48 UTC (rev 45031)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf 2017-08-13 21:01:02 UTC (rev 45032)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2017.07.12
+% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2017.08.13
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf; %% it must be version 4.24 or later
+input mcf2graph.mf; %% it must be version 4.26 or later
%------------------------------------------------------------------------
sw_auxout:=0;
sw_mol_frame:=0;
@@ -115,7 +115,7 @@
{1^-75,2^67.5,3^-60,4^75,5^-75,6^60}:/_~dt
)
ext(
- defaultsize:=4bp;
+ defaultscale:=0.5;
labeloffset:=2bp;
drawarrow .7[B7s,B7e]{dir(B7dir-90)}..{dir(B1dir-90)}.7[B1s,B1e];
label.ulft("-30",.7[B7s,B7e]);
@@ -142,7 +142,7 @@
{1^-60,2^60,3^-60,4^60,5^-60,6^60}:/_~dt
)
ext(
- defaultsize:=4bp;
+ defaultscale:=0.5;
labeloffset:=2bp;
drawarrow .7[B7s,B7e]{dir(B7dir-90)}..{dir(B1dir-90)}.7[B1s,B1e];
label.ulft("-60",.7[B7s,B7e]);
@@ -227,7 +227,7 @@
sw_numberB:=1;
ratio_chain_ring:=1;
numberB_end:=5;
- defaultsize:=4bp;
+ defaultscale:=0.5;
labeloffset:=2bp;
MCf(``1,0,0,<90,0,<-90,0,0,{1,2,3,4,5}=vf,
{3,4^180}:/_~dt)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
===================================================================
(Binary files differ)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
===================================================================
(Binary files differ)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex 2017-08-13 07:14:48 UTC (rev 45031)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex 2017-08-13 21:01:02 UTC (rev 45032)
@@ -1,11 +1,10 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2017.07.23
+% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2017.08.13
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-%%% mcf2graph.mf it must be version 4.25 or later
+%%% mcf2graph.mf it must be version 4.26 or later
\documentclass{article}
%------------------------------------------------------------------------------
\usepackage{luamplib}%
-%%%%%%%\usepackage{lmodern}%
\usepackage[T1]{fontenc}%
\usepackage{textcomp}%
\mplibcodeinherit{enable}%
@@ -12,72 +11,19 @@
\mplibverbatim{enable}%
\everymplib{if unknown Ph1:
input mcf2graph.mf;
- mp_log_name:="temp-info.aux";
- sw_auxout:=1;
- sw_label:=1;
- var3:="mol_wd"; tag3:="Lx";
- var4:="cal_MW"; tag4:="cMW";
- var5:="cal_FM"; tag5:="cFM";
+ sw_auxout:=1;
+ sw_label_emu:=1;
+ sw_font_frame:=4;
+ max_bond_length:=4.5mm;
+ defaultfont:="uhvr8r";
+ defaultsize:=8bp;
+ defaultscale:=0.7;
fi}%
-\everyendmplib{write EOF to mp_log_name;}%
%------------------------------------------------------------------------------
-\makeatletter%
-\newdimen \MOLwidth%
-\newif\ifCONT@%
-\newread\@auxf%
-%------------------------------------------------------------------------------
-\def\@fst at param#1:#2;{#1}%
-\def\@sec at param#1:#2;{#2}%
-\def\mol at sel#1{%
-\if#1\empty\relax\else%
- \edef\@tag{\expandafter\@fst at param#1;}%
- \edef\@var{\expandafter\@sec at 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\@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 ','=>';')
-\def\@sfor#1#2{\expandafter\def\expandafter\@tmp\expandafter{#1}%
- \ifx\@tmp\@empty\else \expandafter\@rep#1;\@nil;\@nil\@@\@list{#2}\fi}%
-\def\@rep#1;#2\@@#3#4{\def#3{#1}\ifx#3\@nnil%
- \expandafter\@fornoop\else#4\relax\expandafter\@rep\fi#2\@@#3{#4}}%
-%-------------------------------------------------------------------------------
-\def\inputINFO#1{\openin\@auxf=#1\CONT at true%
-\loop
-\read\@auxf to \@info%
-\ifeof\@auxf\CONT at false\else \@sfor\@info{\mol at sel\@list}\fi%
-\ifCONT@ \repeat
-\closein\@auxf}%
-%--------------------------------------------------------------------------------
-\newdimen\MOLwidth%
-\newdimen\heightCap%
-\def\MOLcaption#1#2{%
-\MOLwidth=\MOLlenx pt%
-\advance\MOLwidth -#1\relax%
-\heightCap=#2%
-\llap{\makebox[\MOLwidth][l]{\raisebox{\heightCap}{\sf NO.\MOLnum{ }\MOLnameE{ }}}}%
-\advance\heightCap -5mm\relax%
-\llap{\makebox[\MOLwidth][l]{\raisebox{\heightCap}{\small\tt FM(C):\CALfm}}}%
-\advance\heightCap -4mm\relax%
-\llap{\makebox[\MOLwidth][l]{\raisebox{\heightCap}{\small\tt MW(C):\CALmw}}}%
-\advance\heightCap -4mm\relax%
-\llap{\makebox[\MOLwidth][l]{\raisebox{\heightCap}{\small\tt MW(D):\MOLmw}}}%
-}%
-\makeatother%
-%------------------------------------------------------------------------------------
\pagestyle{empty}
-\topmargin=-25mm
+\topmargin=-20mm
\oddsidemargin=0mm
-\textwidth=160mm
+\textwidth=170mm
\textheight=280mm
\unitlength=1mm
%------------------------------------------------------------------------------------
@@ -91,11 +37,11 @@
%------------------------------------------------------------------------------------
{{\small {\tt FM(C) :} molecular formula calculated by mcf2graph}\\
{{\small {\tt MW(C) :} molecular weight calculated by mcf2graph}\\
-{{\small {\tt MW(D) :} molecular weight from literature data}\\
+{{\small {\tt MW(D) :} molecular weight from literature data}\vspace{5mm}\\
\begin{mplibcode}
- font_wd:=90mm; font_ht:=45mm;
+ font_wd:=80mm; font_ht:=40mm;
beginfont("NO:1","EN:Chlorophyll a","MW:893.49")
- MCf(<54,
+ MCa(1,0.5)(<54,
|<,``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,,
-1:@,24,/*COO!^15,72,//O,,>|,
@@ -102,69 +48,125 @@
4:\`1.45,Mg,&17,-1:@,&11~vb,-1:@,&23~vb,
{2,9,15,20~zf}:/_,8:/!,14:\,!!,
21:@,-6~wf,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_,
- )
+ )
+ EXT(
+ label.lrt("("&inf_EN&")",(0,h));
+ label.lrt("FM(C): "&cal_FM,(0,h-4mm));
+ label.lrt("FM(C): "&cal_MW,(0,h-8mm));
+ label.lrt("FM(D): "&inf_MW,(0,h-12mm));
+ )
endfont
\end{mplibcode}
-\inputINFO{temp-info.aux}%
-\MOLcaption{0mm}{35mm}\hspace{8mm}%
+\begin{minipage}[b]{85mm}
+\begin{verbatim}
+|<,``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,,
+-1:@,24,/*COO!^15,72,//O,,>|,
+4:\`1.45,Mg,&17,-1:@,&11~vb,-1:@,&23~vb,
+{2,9,15,20~zf}:/_,8:/!,14:\,!!,
+21:@,-6~wf,!2,//O,!,O,!2,!!,
+|,!13,{1,5,9,13}:/_,
+
+\end{verbatim}
+\end{minipage}
+\vspace{0mm}\\
%----------------------------------------------------------------------------
\begin{mplibcode}
- font_wd:=40mm; font_ht:=35mm;
+ font_wd:=80mm; font_ht:=30mm;
beginfont("NO:2","EN:Limonin","MW:470.51")
- MCf(<30,
+ MCa(.6,0.5)(<30,
?6,{-3,-4}=?6,-5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf,
{13,15,17,20}:O,{3,12,21}://O,
{4~wf^60,8~zf^60,18^35,18^-35}:/_,{1^60,5^180,16^60}:/*H,
14:\*,|,?5,{1,4}=dl,3:O
)
- endfont
-\end{mplibcode}
-\inputINFO{temp-info.aux}%
-\MOLcaption{0mm}{45mm}\vspace{6mm}\\%
-%----------------------------------------------------------------------------
-\begin{mplibcode}
- font_wd:=80mm; font_ht:=28mm;
- beginfont("NO:3","EN:beta-carotene","MW:536.87")
- MCf(<30,
- ?6,3=dl,{3,5^35,5^-35}:/_,
- 4:\,|,!18,{1,3,5,7,9,11,13,15,17}=dr,{3,7,12,16}:/_,
- |,?6,6=dl,{6,2^35,2^-35}:/_
+ EXT(
+ label.lrt("("&inf_EN&")",(0,h));
+ label.lrt("FM(C): "&cal_FM,(0,h-4mm));
+ label.lrt("FM(C): "&cal_MW,(0,h-8mm));
+ label.lrt("FM(D): "&inf_MW,(0,h-12mm));
)
endfont
\end{mplibcode}
-\inputINFO{temp-info.aux}%
-\MOLcaption{0mm}{35mm}\hspace{8mm}%
+\begin{minipage}[b]{85mm}
+\begin{verbatim}
+<30,?6,{-3,-4}=?6,-5=?3,
+-2=wf,-1=wb,6=?5,-4=?6,-5=wf,
+{13,15,17,20}:O,{3,12,21}://O,
+{4~wf^60,8~zf^60,18^35,18^-35}:/_,
+{1^60,5^180,16^60}:/*H,
+14:\*,|,?5,{1,4}=dl,3:O
+
+\end{verbatim}
+\end{minipage}
+\vspace{5mm}\\%
%----------------------------------------------------------------------------
\begin{mplibcode}
-font_wd:=50mm; font_ht:=40mm;
+font_wd:=80mm; font_ht:=20mm;
beginfont("NO:4","EN:Gibberellin A3","MW:346.37");
- MCf(<18,?5,3=?7,5=?6[12],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)
+ MCa(.6,0.5)(
+ <18,?5,3=?7,5=?6[12],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)
+ EXT(
+ label.lrt("("&inf_EN&")",(0,h));
+ label.lrt("FM(C): "&cal_FM,(0,h-4mm));
+ label.lrt("FM(C): "&cal_MW,(0,h-8mm));
+ label.lrt("FM(D): "&inf_MW,(0,h-12mm));
+ )
endfont;
\end{mplibcode}
-\inputINFO{temp-info.aux}%
-\MOLcaption{0mm}{38mm}\vspace{5mm}\\%
+\begin{minipage}[b]{85mm}
+\begin{verbatim}
+<18,?5,3=?7,5=?6[12],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{verbatim}
+\end{minipage}
+\vspace{6mm}\\
%----------------------------------------------------------------------------
\begin{mplibcode}
-font_wd:=55mm; font_ht:=55mm;
+font_wd:=80mm; font_ht:=35mm;
beginfont("NO:5","EN:Erythromycin","MW:733.93");
- MCf(<30,
- |<,``1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,>|,&1,
+ MCa(.6,0.5)(
+ <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!,
#5:\*^30`1.7,O,!,|,?6`.7,6:O,5:/_,2:/OH,3:/NMeMe
)
+ EXT(
+ label.lrt("("&inf_EN&")",(0,h));
+ label.lrt("FM(C): "&cal_FM,(0,h-4mm));
+ label.lrt("FM(C): "&cal_MW,(0,h-8mm));
+ label.lrt("FM(D): "&inf_MW,(0,h-12mm));
+ )
endfont;
\end{mplibcode}
-\inputINFO{temp-info.aux}%
-\MOLcaption{30mm}{52mm}\hspace{8mm}%
+\begin{minipage}[b]{85mm}
+\begin{verbatim}
+<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!,
+#5:\*^30`1.7,O,!,|,?6`.7,6:O,
+5:/_,2:/OH,3:/NMeMe
+\end{verbatim}
+\end{minipage}
+\vspace{5mm}\\
%----------------------------------------------------------------------------
\begin{mplibcode}
-font_wd:=90mm; font_ht:=55mm;
+font_wd:=80mm; font_ht:=65mm;
beginfont("NO:6","EN:Vancomycin","MW:1449.25");
- MCf(<30,
+ MCa(0.5,0)(
+ <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,,
#7:@,,#1:@,120,//O,60,NH,60,/*H,*/COOH^180,-60,
@@ -175,16 +177,41 @@
#13:*\,NH,!,//O,!,/!iPr^-35>60,*/H^60,!~zf,NH,!,
#23:\,O,!,|,?6`.7,2:O,3^10:/!OH,{4,5}:/OH,
-1:\,O,!,|,?6`.7,6:O,{3^35,5}:/_,3^-35:/NH2,4:/OH
- )
+ )
+ EXT(
+ label.lrt("("&inf_EN&")",(0,h));
+ label.lrt("FM(C): "&cal_FM,(0,h-4mm));
+ label.lrt("FM(C): "&cal_MW,(0,h-8mm));
+ label.lrt("FM(D): "&inf_MW,(0,h-12mm));
+ )
endfont;
\end{mplibcode}
-\inputINFO{temp-info.aux}%
-\MOLcaption{55mm}{50mm}\vspace{6mm}\\%
+\begin{minipage}[b]{85mm}
+\begin{verbatim}
+<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,,
+#7:@,,#1:@,120,//O,60,NH,60,
+ /*H,*/COOH^180,-60,
+Ph,{-2,-4}:/OH,-1:\,Ph,-5:/OH,-2:@,,>|,
+{3^40,6,9,12}://O,{2,5,8,11}:NH,
+{1^180,4^180}:*/H,
+{7^-60,10^60,14^60}:/*H,
+#10:*\^-60,60,//O,!,NH2,#13:*\,NH,!,//O,!,
+ /!iPr^-35>60,*/H^60 ,!~zf,NH,!,
+#23:\,O,!,|,?6`.7,2:O,3^10:/!OH,{4,5}:/OH,
+-1:\,O,!,|,?6`.7,6:O,
+{3^35,5}:/_,3^-35:/NH2,4:/OH
+\end{verbatim}
+\end{minipage}
+\vspace{0mm}\\%
%----------------------------------------------------------------------------
\begin{mplibcode}
- font_wd:=150mm; font_ht:=70mm;
+ font_wd:=170mm; font_ht:=80mm;
beginfont("NO:7","EN:Maitotoxin","MW:3425.86")
- MCf(<55.8,?6,-4=?7 ,{-4,-3,-3,-3}=?6,-3:\,!3,?6,{-4,-3,-3,-3}=?6,
+ MCf(
+ <55.8,?6,-4=?7 ,{-4,-3,-3,-3}=?6,-3:\,!3,?6,{-4,-3,-3,-3}=?6,
-3:\,?6,-3=?6,-3:\,!3,60,<-30,?6,-3=?6,
-3:@,30,<30,?6,{-3,-3}=?6,-3=?7,{-4,-3,-3}=?6,
-2:\,?6,-3=?6,-3=?7,{-3,-3}=?6,-3=?8,-3=dl,{-5,-3,-3,-3}=?6,
@@ -202,10 +229,108 @@
#36:@,-45~zf,O,30,SOO,30,"O{Na}",
#150:\,|,!7,{1,2}:/*OH,4:*/_,5:/*_,7=dl
)
+ EXT(
+ label.lrt("("&inf_EN&")",(0,.8h));
+ label.lrt("FM(C): "&cal_FM,(0,.8h-4mm));
+ label.lrt("FM(C): "&cal_MW,(0,.8h-8mm));
+ label.lrt("FM(D): "&inf_MW,(0,.8h-12mm));
+ )
endfont
\end{mplibcode}
-\inputINFO{temp-info.aux}%
-\MOLcaption{110mm}{70mm}\\%
-\end{document}
+\begin{verbatim}
+ <55.8,?6,-4=?7 ,{-4,-3,-3,-3}=?6,-3:\,!3,?6,{-4,-3,-3,-3}=?6,
+ -3:\,?6,-3=?6,-3:\,!3,60,<-30,?6,-3=?6,
+ -3:@,30,<30,?6,{-3,-3}=?6,-3=?7,{-4,-3,-3}=?6,
+ -2:\,?6,-3=?6,-3=?7,{-3,-3}=?6,-3=?8,-3=dl,{-5,-3,-3,-3}=?6,
+ {5,7,15,16,23,24,32,40,41,48,49,58,59,72,73,82,83,90,91,99,
+ 100,107,113,114,122,123,130,131,140,141,148,149}:O,
+ {1^60,2,26,28,29,51,54,61,63,68,75^60,78,109}:*/OH,
+ {11,20,35,45,52,55,65,69,86}:/*OH,{47,57,71}:/*H^60,
+ {3,8,13,17,21,33,38,42,56,70,84,92,101,106,111,128,138,142,146,150}:/*H^-60,
+ {4,14,22,34,39,43,81,89,98,102,116,121,125,129,133}:*/H^60,
+ {6,46,50,53,60,67,74}:*/H^-60,{9,18,85,93,112,139,143,147}:*/_`1^60,
+ {80,88,97,115,120,124}:/*_`1^-60,108:*/_`1^-60,
+ #6:\,|,!11,60~dr,-60,60,OH,2:/*OH,{7,10}:*/OH,{1,3}:*/_,{8~zf,11~dm,12}:/_,
+ 6:\,O,30,SOO,30,"O{Na}",
+ #36:@,-45~zf,O,30,SOO,30,"O{Na}",#150:\,|,!7,{1,2}:/*OH,4:*/_,5:/*_,7=dl
+\end{verbatim}
+\vspace{8mm}%
%----------------------------------------------------------------------------
+{\LARGE\bf TCA-cycle}\\
+\begin{mplibcode}
+ beginfont("EN:TCA cycle")
+ save a;
+ %------------------------------------------------------------------------
+ font_wd:=100mm;
+ font_ht:=100mm;
+ max_bond_length:=5mm;
+ %------------------------------------------------------------------------
+ sw_label_emu:=1;
+ defaultscale:=0.75;
+ %------------------------------------------------------------------------
+ a:=12mm;
+ Om:='("{O^-^}");
+ MCa(0.5,1)(<30,Om,!0,//O,!,//O,!2,//O,!,Om)
+ MCa(1, 1)(<30,Om,!0,//O,!,!,!,!,//O,!,Om,-4`1:\,//O,!,Om,4:/OH^-165)
+ MCa(1,.66)(<30,Om,!0,//O,!,!,!~dr,!,//O,!,Om,-4`1:\,//O,!,Om)
+ MCa(1,.35)(<30,Om,!0,//O,!,!,!,!,//O,!,Om,-4:\`1,//O,!,Om)
+ MCa(1, 0)(<30,Om,!0,//O,!,!,!,//O,!,//O,!,Om,-4:\`1,//O,!,Om)
+ MCa(0.5,0)(<30,Om,!0,//O,!,!,!,//O,!,//O,!,Om)
+ MCa(0, 0)(<30,Om,!0,//O,!,!,!,//O,!,"{S-CoA}")
+ MCa(0,0.4)(<30,Om,!0,//O,!,!,!,//O,!,Om)
+ MCa(0,0.7)(<30,Om,!0,//O,!,!~dr,!,//O,!,Om)
+ MCa(0, 1)(<30,Om,!0,//O,!,!,!,//O,!,Om,3:/OH)
+ %------------------------------------------------------------------------
+ EXT(
+ p10:=(.58w,.9h);
+ drawarrow p10..p10+(a,0);
+ drawarrow p10+(.2a,-.8a){dir90}..{dir 0}(p10+(.5a,0)){dir0}..{dir-90}p10+(.8a,-.5a);
+ label.bot("Acetyl-CoA",p10+(.2a,-.8a));
+ label.bot("CoA-SH",p10+(.8a,-.5a)+(em,0));
+ p10:=(.9w,.83h);
+ drawdblarrow p10..p10+(0,-a);
+ draw p10+(0,-0.5a){dir -90}..{dir 180}p10+(-0.5a,-.8a);
+ label.lft("H_2_O",p10+(-0.5a,-.8a));
+ p10:=(.9w,.56h);
+ drawdblarrow p10..p10+(0,-a);
+ draw p10+(-0.5a,-0.2a){dir 0}..{dir -90}p10+(0,-.5a);
+ label.lft("H_2_O",p10+(-0.5a,-.2a));
+ p10:=(.9w,.30h);
+ drawdblarrow p10..p10+(0,-a);
+ drawarrow p10+(-.5a,-.2a){dir 0}..{dir-90}p10+(0,-.5a){dir-90}..{dir180}p10+(-.5a,-.8a);
+ label.lft("NAD^+",p10+(-0.5a,-.2a));
+ label.lft("NADH2^+",p10+(-0.5a,-.8a));
+ p10:=(.73w,0.1h);
+ drawarrow p10..p10+(-a,0);
+ drawarrow p10+(-0.05w,0){dir -180}..{dir 90}p10+(-0.08w,0.05h);
+ label.top("CO_2_",p10+(-0.8a,0.53a));
+ p10:=(.40w,.1h);
+ drawarrow p10..p10+(-a,0);
+ drawarrow p10+(-.2a,0.8a){dir -90}..p10+(-0.5a,0){dir -180}..
+ {dir 90}p10+(-0.8a,0.5a);
+ label.top("NAD^+^,CoA-SH",p10+(em,0.8a));
+ label.top("NADH2^+^,CO_2_",p10+(-0.8a-em,0.5a));
+ p10:=(.10w,.22h);
+ drawdblarrow p10..p10+(0,a);
+ drawdblarrow p10+(.5a,.2a){dir-180}..{dir90}p10+(0,.5a){dir90}..{dir0}p10+(.5a,.8a);
+ label.rt("GDP,Pi",p10+(0.5a,0.2a));
+ label.rt("GTP,CoA-SH",p10+(0.5a,0.8a));
+ p10:=(.10w,.5h);
+ drawdblarrow p10..p10+(0,a);
+ drawdblarrow p10+(.5a,.2a){dir-180}..{dir 90}p10+(0,.5a){dir90}..{dir0}p10+(.5a,.8a);
+ label.rt("FAD",p10+(0.5a,0.2a));
+ label.rt("FADH2",p10+(0.5a,0.8a));
+ p10:=(.10w,.74h);
+ drawdblarrow p10..p10+(0,a);
+ draw p10+(0.05w,0.2a){dir -180}..{dir 90}p10+(0,.5a);
+ label.rt("H_2_O",p10+(0.5a,0.2a));
+ p10:=(.25w,.9h);
+ drawdblarrow p10..p10+(a,0);
+ drawdblarrow p10+(.2a,-.5a){dir90}..{dir0}p10+(.5a,0){dir0}..{dir-90}p10+(.8a,-.8a);
+ label.bot("NAD^+",p10+(.2a,-.5a));
+ label.bot("NADH2^+",p10+(.8a,-.8a));
+ )
+ endfont
+\end{mplibcode}
+%----------------------------------------------------------------------------
\end{document}
Modified: trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
===================================================================
--- trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf 2017-08-13 07:14:48 UTC (rev 45031)
+++ trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf 2017-08-13 21:01:02 UTC (rev 45032)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 4.25 Copyright (c) 2013-2017 Akira Yamaji
+% mcf2graph ver 4.26 Copyright (c) 2013-2017 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 4.2 2017.7";
+message " This is mcf2graph ver 4.2 2017.8";
%-------------------------------------------------------------------------------------------------
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[],
@@ -41,7 +41,7 @@
picture mol_stru[];
path arrow_path,arrow_head;
%-------------------------------------------------------------------------------------------------
-char_num:=str_cnt:=proc_end:=0;
+char_num:=str_cnt:=proc_end:=sw_label_emu:=0;
sw_numberA:=sw_numberB:=sw_mol_frame:=sw_auxout:=sw_solid:=sw_expand:=sw_font_frame:=sw_clip:=0;
sw_atom_frame:=sw_report:=sw_MOLout:=sw_subst_off:=sw_bond_single:=sw_auxfix:=sw_arrow:=0;
numberA_start:=numberB_start:=1; numberA_end:=numberB_end:=4095; aux_max:=max_inf_num:=20;
@@ -122,7 +122,7 @@
%--------------------------------------------------------------------------------------------------
def parameter_list=
sw_report,sw_numberA,sw_numberB,sw_mol_frame,sw_auxout,sw_solid,sw_expand,sw_MOLout,
- sw_atom_frame,sw_font_frame,sw_subst_off,sw_bond_single,sw_clip,sw_arrow,
+ sw_atom_frame,sw_font_frame,sw_subst_off,sw_bond_single,sw_clip,sw_arrow,sw_label_emu,
margin_left_right,margin_top_bottom,ratio_atom_bond,ratio_thickness_bond,ratio_char_bond,
ratio_chain_ring,ratio_bondgap_bond,ratio_zebra_black,ratio_zebragap_bond,
ratio_wedge_bond,ratio_atomgap_atom,ratio_bond_width,font_wd,font_ht,
@@ -146,10 +146,13 @@
save_defaultfont:=defaultfont;
begingroup
save cntA,cntB,cntM,minX,minY,f_beginchar,numS,sftX,sftY,f_ext,
+ cal_FM,cal_MW,cal_MW_str,cal_MI,cal_MI_str,
+ inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_MW,
posBs,posBe,posA,posM,lineB,sB,eB,angB,angA,lenB,ang_br,info,pT;
numeric lineB[],sB[],eB[],angB[],angA[],lenB[],ang_br[],numS[];
pair posA[],posM[][],pT,posBs,posBe;
- string info[];
+ string info[],cal_FM,cal_MW,cal_MW_str,cal_MI,cal_MI_str,
+ inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_MW;
%------------------------------------------------------------------------------------------------
for i:=1 upto max_inf_num: info[i]:=":"; endfor
f_ext:=inf_num:=cntM:=0;
@@ -179,7 +182,6 @@
pT:=(margin_left_right,margin_top_bottom);
draw_frame(pT,nA,nB,thickness_font_frame); fi
if sw_font_frame=4: draw_corner(w,h,thickness_font_frame); fi
- if ((sw_auxout=1)or(sw_report=1)or(sw_MOLout=1))and(f_MP=1): proc_calc_out; fi
for i=1 upto cntM:
addto currentpicture also mol_stru[i] shifted posM[0][i]; mol_stru[i]:=nullpicture;
endfor
@@ -330,7 +332,7 @@
dotlabeldiam:=3bp;
labeloffset:=3bp;
em=defaultscale*defaultsize;
- if (defaultfont="draw")or(f_MP=0):
+ if (defaultfont="draw")or(f_MP=0)or(sw_label_emu=1):
save label,dotlabel;
def label = label_emu enddef;
def dotlabel = dotlabel_emu enddef;
@@ -375,27 +377,47 @@
%==================================================================================================
def ext_puts(expr PA)(expr STR)=
begingroup
- save cp,sA;
+ save cp,sA,pC;
pair cp;
string sA;
+ picture pC;
cp:=PA;
+ nB:=defaultscale*defaultsize;
+ nC:=0;
%------------------------------------------------------------------------------------------------
for i=0 upto length(STR)-1:
sA:=pic_c(i,STR);
nA:=ASCII(sA);
- nB:=defaultscale*defaultsize;
- draw_char(sA,cp,nB,0.35*ratio_char_bond*bp,0);
- cp:=cp+(nB*tbl_char_wd[nA],0);
+ if sw_label_emu=1:
+ if sA="_": if nC=-0.5: nC:=0; else: nC:=-0.5; fi
+ elseif sA="^": if nC= 0.5: nC:=0; else: nC:= 0.5; fi
+ else:
+ if defaultfont="draw":
+ draw_char(sA,cp+(0,nB*nC),nB,0.35*ratio_char_bond*bp,0);
+ cp:=cp+(nB*tbl_char_wd[nA],0);
+ else:
+ pC:=sA infont defaultfont scaled defaultscale;
+ addto currentpicture also pC shifted (cp+(0,nB*nC));
+ cp:=cp+(lrcorner pC-llcorner pC);
+ fi
+ fi
+ else: draw_char(sA,cp,nB,0.35*ratio_char_bond*bp,0);
+ cp:=cp+(nB*tbl_char_wd[nA],0);
+ fi
endfor
endgroup;
enddef;
%--------------------------------------------------------------------------------------------------
vardef label_emu@#(expr STR,POS) = %% modified 'thelabel@#(expr s,z)' of plain.mp
- save oft,fx,fy,wds;
+ save oft,fx,fy,wds,sC;
pair oft,oft.lft,oft.rt,oft.top,oft.bot,oft.ulft,oft.llft,oft.urt,oft.lrt;
+ string sC;
wds:=0;
for i=0 upto length(STR)-1:
- wds:=wds+defaultscale*defaultsize*tbl_char_wd[ASCII(pic_c(i,STR))];
+ sC:=pic_c(i,STR);
+ if not((sw_label_emu=1)and((sC="_")or(sC="^"))):
+ wds:=wds+defaultscale*defaultsize*tbl_char_wd[ASCII(sC)];
+ fi
endfor
oft:= ( 0, 0); fx:=0.5; fy:=0.5;
oft.lft:= ( -1, 0); fx.lft:=1; fy.lft:=0.5;
@@ -529,6 +551,7 @@
addto mol_stru[cntM] also currentpicture;
clearit;
endgroup;
+ if ((sw_auxout=1)or(sw_report=1)or(sw_MOLout=1))and(f_MP=1): proc_calc_out; fi
%-----------------------------------------------------------------------------------------------
%%%% message "count of usr ="& decimal(sub_usr) &" "& decimal(sub_usr-sub_usr_start);
%%%% message "count of int ="& decimal(sub_int) &" "& decimal(sub_int-sub_int_start);
@@ -769,9 +792,10 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
def draw_atom(expr NUM,POS,ANG,STR,WD)=
begingroup
- save pA,pT,dx;
+ save pA,pT,dx,pC,nE,nC;
string sB;
pair pA,pT;
+ picture pC;
%----------------------------------------------------------------------------------------------
if ((ANG mod 360)<=90+1)or((ANG mod 360)>=270-1): dx:=1; else: dx:=-1; fi
pT:=POS-(0.5atom_wd*dx*WD,0.5atom_wd);
@@ -785,19 +809,30 @@
elseif nB=hat: if nE=0: nE:= .5; else: nE:=0; fi;
elseif (nB<>par_s)and(nB<>par_e):
nA:=atom_wd*tbl_char_wd[nB];
- pA:=pT+(0.5*((dx-1)*nA),nE*atom_wd);
- if sw_atom_frame=1: draw_frame(pA,nA,atom_wd,0.1pt); fi
- if (sw_numberA>=1)or(sw_numberB>=1):
- erase fill unitsquare xscaled nA yscaled atom_wd shifted pA wpcs 0.01pt;
- fi
if (atomfont<>"draw")and(f_MP=1):
- addto currentpicture also char(nB) infont atomfont
- scaled (atom_wd/atomfontsize) shifted pA Cp(colorA[NUM]);
+ pC:=sB infont atomfont scaled (atom_wd/atomfontsize);
+ if dx=-1: pA:=pT-(lrcorner pC-llcorner pC)+(0,nE*atom_wd);
+ else: pA:=pT+(0,nE*atom_wd);
+ fi
+ if (sw_numberA>=1)or(sw_numberB>=1):
+ erase fill (llcorner pC--lrcorner pC--urcorner pC--ulcorner pC--cycle) shifted pA;
+ fi
+ addto currentpicture also pC shifted pA Cp(colorA[NUM]);
+ if sw_atom_frame=1:
+ draw ((llcorner pC--lrcorner pC--urcorner pC--ulcorner pC--cycle) shifted pA)
+ withpen pencircle scaled 0.01pt;
+ fi
+ pT:=pT+(lrcorner pC-llcorner pC)*dx;
else:
+ if dx=-1: pA:=pT+(-nA,nE*atom_wd); else: pA:=pT+(0,nE*atom_wd); fi
+ if (sw_numberA>=1)or(sw_numberB>=1):
+ erase fill unitsquare xscaled nA yscaled atom_wd shifted pA;
+ fi
draw_char(sB,pA,atom_wd,bond_pen_wd*ratio_char_bond,NUM);
+ if sw_atom_frame=1: draw_frame(pA,nA,atom_wd,0.1pt); fi
+ pT:=pT+(nA*dx,0);
fi
- pT:=pT+(nA*dx,0);
- fi
+ fi
endfor
endgroup
enddef;
@@ -944,7 +979,7 @@
char_size_set(.7)(.7)("*");
char_size_set(.5)( 1)("il");
char_size_set(.7)(.8)("acekosuvxzwry");
-char_size_set(.4)( 1)(".,:;'`");
+char_size_set(.4)( 1)(".,:;'`^");
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
def draw_char(expr c,POS,WD,PEN,NUM)=
save Z,aW,aH,fW,fH,hW,hW,hH,fP,hP,pathO,pathOh,ef,pos,ppcs,sbp,dw,dwh,dwv,cdw;
@@ -1115,11 +1150,9 @@
%==================================================================================================
def proc_calc_out=
begingroup
- save warning_cnt,cal_MW,MWp,knownA,cal_FM,bondC,tmp_wtp,bond_cnt,cnt_hide_H,
- inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_MW;
+ save warning_cnt,MWp,knownA,bondC,tmp_wtp,bond_cnt,cnt_hide_H;
numeric sumA[],bondC[],hideH[];
- string cal_FM,cal_MW,cal_MW_str,cal_MI,cal_MI_str,sumA,s_tag,s_var,
- inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_MW;
+ string sumA,s_tag,s_var;
inf_NO:=inf_EN:=inf_JN:=inf_FM:=inf_CAS:=inf_USE:=inf_EXA:=inf_EXB:=inf_MW:="";
cal_MW:=cal_MW_str:=cal_FM:=""; cnt_hide_H:=warning_cnt:=MW_num:=MI_num:=MWp:=0;
%------------------------------------------------------------------------------------------
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