texlive[61284] Master/texmf-dist: mcf2graph (12dec21)
commits+karl at tug.org
commits+karl at tug.org
Sun Dec 12 23:29:25 CET 2021
Revision: 61284
http://tug.org/svn/texlive?view=revision&revision=61284
Author: karl
Date: 2021-12-12 23:29:25 +0100 (Sun, 12 Dec 2021)
Log Message:
-----------
mcf2graph (12dec21)
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_data_base.mcf
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_example.tex
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_manual.tex
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 2021-12-12 22:29:10 UTC (rev 61283)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG 2021-12-12 22:29:25 UTC (rev 61284)
@@ -1,6 +1,17 @@
*******************************************************************************
- Changelog of mcf2graph software package by Akira Yamaji 2021-11-23
+ Changelog of mcf2graph software package by Akira Yamaji 2022-12-12
*******************************************************************************
+[ver. 4.75 / 2022-12-12]
+ -change syntax of bond type
+ {a<}=dl : {a}=dr
+ {a<}=dr : {a}=dl
+ -change syntax of fused ring
+ {(a<,b)}=?6 : (a,b)=?6[3]
+ {(a<,b)}=?5 : (a,b)=?5[2]
+ {(a<,b<)}=?6 : (a,b)=?6[2]
+ -update mcf_data_base.mcf
+ -update MCF manual,example
+
[ver. 4.74 / 2021-11-23]
-change syntax of fused ring
(a,b)=?6[4] => (a,b)=?6
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/README
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/README 2021-12-12 22:29:10 UTC (rev 61283)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/README 2021-12-12 22:29:25 UTC (rev 61284)
@@ -1,7 +1,7 @@
********************************************************************************
mcf2graph : Convert Molecular Coding Format to graphics with METAFONT/METAPOST
Author : Akira Yamaji
- version : 4.74 2021-11-23
+ version : 4.75 2021-12-12
E-mail : mcf2graph at gmail.com
Located at : http://www.ctan.org/pkg/mcf2graph
********************************************************************************
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf 2021-12-12 22:29:10 UTC (rev 61283)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf 2021-12-12 22:29:25 UTC (rev 61284)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% molecular data base file mcf_data_base.mcf by Akira Yamaji 2021.11.23
+% molecular data base file mcf_data_base.mcf by Akira Yamaji 2021.12.12
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% tag1:var1;tag2:var2;tag3:var3 .....
% first character of line "%" comment out
@@ -440,9 +440,9 @@
+------------------------------------------------------------------------------
Cat:biological;EN:Hypericin;MW:504.44;EXA:1
+
-<30,Ph,{-4,(11,4),(10,12),(9,-4),(19,13),(27,14),(18,24)}=?6,
- {12,20,22,29,31,33,35}=dl,{16,18,27}=dr,
- {7,21}://O,{2,6,17,23,25,28}:/OH,{19,26}:/_
+<30,Ph,{-4,-3,(11,4),(16<,17),19,(23<,24),(22,29)}=?6,
+ {12,14,16,17,22<,24,26,28,33,35}=dl,
+ {7,25}://O,{13,26}:/_, {2,6,11,21,23,28}:/OH
+------------------------------------------------------------------------------
Cat:biological;EN:Camphor;MW:152.23;EXA:1
+
@@ -481,7 +481,7 @@
+------------------------------------------------------------------------------
Cat:biological;EN:Rotenone;MW:394.423;EXA:1
+
-<-60,?5,{-3,-2,-3,-4}=?6,{7,9,-2,-4}=dl,{3,17}=dr,
+<-60,?5,{-3,-2,-3,-4}=?6,{3<,7,9,17<,-2,-4}=dl,
{2,13,16}:O,10://O,{11^-60,12^60}:*/H,{-2,-3}:/O!, at 1,*\,/_,!!
+------------------------------------------------------------------------------
Cat:biological;EN:Pyrethrin I;MW:328.452;EXA:1
@@ -525,7 +525,7 @@
+------------------------------------------------------------------------------
Cat:biological;EN:Colchicine;MW:399.443;EXA:1
+
-<30,Ph,{1,2,6}:/O!,-4=?7,-5=?7,{-1,-4,-6}=dl,-2://O,-3:/O!,9:/NHCO!
+<30,Ph,{1,2,6}:/O!,{-4,-5}=?7,{-1,-4,-6}=dl,-2://O,-3:/O!,9:/NHCO!
+------------------------------------------------------------------------------
Cat:biological;EN:Lycorine;MW:287.315;EXA:1
+
@@ -581,6 +581,7 @@
+
<30,Ph,{1,2,3,4,5,6}:/Ph
+------------------------------------------------------------------------------
+%==============================================================================
Cat:synthetic;EN:Naphthalene;MW:128.17;EXA:-
+
<30,Ph,3=Ph
@@ -605,10 +606,15 @@
+
<30,Ph2,{6,4}=Ph,(16,7)=?6[3],-2=dl
+------------------------------------------------------------------------------
+Cat:synthetic;EN:Coronene;MW:300.35;EXA:1
++
+<30,Ph,{1,(11,2),(15,3),(19,4),(23,5),(27<,7)}=?6,
+ {9,12,14,17,20,22,25,28,30}=dl
++------------------------------------------------------------------------------
Cat:synthetic;EN:Kekulene;MW:600.7;EXA:1
+
-<30,Ph,{3,-2,-3,-2,-3,-2,-3,-2,-3,-2}=?6,(-3,6)=?6[3], at -4,&6,
- {8,12,14,16,18,22,24,26,28,32,34,36,38,42,44,46,48,52,54,56,58}=dl
+<30,?6,{3,-3,-2,-3,-2,-3,-2,-3,-2,-3,(-2<,5<),(5<,-4<)}=?6,
+ {1,5<,7,9,11,13,17,19,21,23,27,29,31,33,37,39,41,43,47,49,51,53,57,60}=dl
+------------------------------------------------------------------------------
%==============================================================================
Cat:synthetic;EN:12-Crown-4;MW:176.21;EXA:-
@@ -2039,7 +2045,7 @@
<30,Ph,-4=?6,9=dl,7:N,6:/F,9:/COOH,10://O, at 1,\,|,?6,{1,4}:N,4:/_,
||, at 7,\,Ph,-3:/F
+------------------------------------------------------------------------------
-Cat:antibacterial;EN:Sulfamonomethoxine;MW:280.302;EXA:1
+Cat:antibacterial;EN:Sulfamonomethoxine;MW:280.302;EXA:-
+
<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{2,4}:N,3:/O!
+------------------------------------------------------------------------------
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf 2021-12-12 22:29:10 UTC (rev 61283)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf 2021-12-12 22:29:25 UTC (rev 61284)
@@ -1,13 +1,15 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2021.11.23
+% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2021.12.12
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf; %%% it must be version 4.74
-message "* mcf_exa_soc 2021.11.23";
+input mcf2graph.mf; %%% it must be version 4.75
+message "* mcf_exa_soc 2021.12.12";
message "";
%------------------------------------------------------------------------------
fsize:=(35mm,24mm);
max_blength:=4mm;
%%%%sw_frame:=Outside;
+%%%%sw_numbering:=Bond;
+%%%%sw_numbering:=Atom;
tag1:="J"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW";
%------------------------------------------------------------------------------
%% outputformat:="png"; hppp:=vppp:=0.1; outputtemplate:="%j-%3c.png";
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
===================================================================
(Binary files differ)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex 2021-12-12 22:29:10 UTC (rev 61283)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex 2021-12-12 22:29:25 UTC (rev 61284)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2021.11.23
+% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2021.12.12
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
\usepackage{graphicx}
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf 2021-12-12 22:29:10 UTC (rev 61283)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf 2021-12-12 22:29:25 UTC (rev 61284)
@@ -1,9 +1,9 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2021.11.23
+% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2021.12.12
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf; %% it must be version 4.74
+input mcf2graph.mf; %% it must be version 4.75
% ** use data base file 'mcf_data_base.mcf'
-message "mcf_man_soc 2021.11.23"; message "";
+message "mcf_man_soc 2021.12.12"; message "";
%------------------------------------------------------------------------
sw_mframe:=0;
sw_expand:=0;
@@ -326,10 +326,10 @@
endfont
%***********************************************************************
beginfont("EN:change multi bond")
- fsize:=(40mm,8mm);
+ fsize:=(60mm,8mm);
fmargin:=(2mm,3mm);
ratio_chain_ring:=1;
- MC(<30,!7,{2,4,6}=dr)
+ MC(<30,!9,{2,4,6,8<}=dl)
endfont
%***********************************************************************
beginfont("EN:change bond length1")
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
===================================================================
(Binary files differ)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex 2021-12-12 22:29:10 UTC (rev 61283)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex 2021-12-12 22:29:25 UTC (rev 61284)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format manual by Akira Yamaji 2021.11.23
+% Molecular Coding Format manual by Akira Yamaji 2021.12.12
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
\usepackage[pdftex]{graphicx}
@@ -294,9 +294,9 @@
\subsubsection{Change multiple bond type}
\index{vf}%
\begin{verbatim}
-{2,4,6}=dr : 2=dr,4=dr,6=dr
+{2,4,6,8<}=dl : 2=dl,4=dl,6=dl,8=dr
-<30,!7,{2,4,6}=dr
+<30,!7,{2,4,6,8<}=dl
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
@@ -435,7 +435,6 @@
(4,11)=?6 : fuse 4/6 ring to B11..B4
(4,11)=?5 : fuse 3/5 ring to B11..B4
(4,11)=?4 : fuse 2/4 ring to B11..B4
-** ?m[n] (4<=m<=6,n=m-2)
1:<30,?6,3=?6,(11,4)=?6
2:<30,?6,3=?6,(11,4)=?5
@@ -450,11 +449,13 @@
\begin{verbatim}
(Attached 3 bond)
-(16,4)=?6[3] : fuse 3/6 ring to B16..B4
-(16,4)=?5[2] : fuse 2/5 ring to B16..B4
+(16,4)=?6[3] or {(16<,4)}=?6
+ : fuse 3/6 ring to B16..B4
+(16,4)=?5[2] or {(16<,4)}=?5
+ : fuse 2/5 ring to B16..B4
** ?m[n] (5<=m<=6,n=m-3)
-1:?6,{3,10}=?6,(16,4)=?6[3]
+1:?6,{3,10,(16<,4)}=?6
2:?6,{3,10}=?6,(16,4)=?5[2]
\end{verbatim}
\MCFgraph
@@ -466,9 +467,10 @@
\begin{verbatim}
(Attached 4 bond)
-(21,4)=?6[2] : fuse 2/6 ring to B21..B4
+(21,4)=?6[2] or {(21<,4<)}=?6
+ : fuse 2/6 ring to B21..B4
-MC(<-30,?6,{3,10,15}=?6,(21,4)=?6[2])
+<-30,?6,{3,10,15,(21<,4<)}=?6
** ?m[n] (m=6,n=2)
\end{verbatim}
@@ -489,12 +491,9 @@
\begin{verbatim}
/ : group start single bond
-/_ : methyl
-/! : ethyl
-/!2 : propyl
-/?! : isopropyl
-/??! : tert-butyl
-/Ph : phenyl
+/_ : methyl /! : ethyl
+/!2 : propyl /?! : isopropyl
+/??! : tert-butyl /Ph : phenyl
<30,!,/_,!2,/!,!2,/!2,!4,/?!,
!4,/??!,!2,/Ph^-60,!
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 2021-12-12 22:29:10 UTC (rev 61283)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex 2021-12-12 22:29:25 UTC (rev 61284)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2021.11.23
+% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2021.12.12
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ** mcf2graph.mf must be version 4.74
+% ** mcf2graph.mf must be version 4.75
% ** use mcf_data_base.mcf
\documentclass{article}
%------------------------------------------------------------------------------
@@ -40,9 +40,8 @@
\noindent%
%------------------------------------------------------------------------------------
use molecular data base file 'mcf\_exa\_data.mcf'\\
-{{\tt FM(C) :} molecular formula calculated by mcf2graph\\
-{{\tt MW(C) :} molecular weight calculated by mcf2graph\\
-{{\tt MW(D) :} molecular weight from literature data
+{{\tt FM(fm) :} molecular formula (calculated)\\
+{{\tt MW(mw) :} molecular weight (calculated)\\
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\subsection{Chlorophyll a}
\noindent%
@@ -52,9 +51,9 @@
fsize:=(100mm,45mm);
if check(mc)=0: MC(scantokens(mc)) fi
ext(defaultscale:=0.8;
- label.lrt("FM(C): "&cal_FM,(0,h-5mm));
- label.lrt("MW(C): "&cal_MW,(0,h-9mm));
- label.lrt("MW(D): "&inf_MW,(0,h-13mm));)
+ label.lrt("fm: "&cal_FM,(0,h-5mm));
+ label.lrt("mw: "&cal_MW,(0,h-9mm));
+ label.lrt("MW: "&inf_MW,(0,h-13mm));)
endfont
\end{verbatim}
%------------------------------------------------------------------------------------
@@ -64,9 +63,9 @@
fsize:=(100mm,45mm);
if check(mc)=0: MC(scantokens(mc)) fi
ext(defaultscale:=0.8;
- label.lrt("FM(C): "&cal_FM,(0,h-5mm));
- label.lrt("MW(C): "&cal_MW,(0,h-9mm));
- label.lrt("MW(D): "&inf_MW,(0,h-13mm));)
+ label.lrt("fm: "&cal_FM,(0,h-5mm));
+ label.lrt("mw: "&cal_MW,(0,h-9mm));
+ label.lrt("MW: "&inf_MW,(0,h-13mm));)
endfont
\end{mplibcode}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
@@ -78,9 +77,9 @@
fsize:=(150mm,35mm);
if check(mc)=0: MC(scantokens(mc)) fi
ext(defaultscale:=0.8;
- label.lrt("FM(C): "&cal_FM,(0,h-5mm));
- label.lrt("MW(C): "&cal_MW,(0,h-9mm));
- label.lrt("MW(D): "&inf_MW,(0,h-13mm));)
+ label.lrt("fm: "&cal_FM,(0,h-5mm));
+ label.lrt("mw: "&cal_MW,(0,h-9mm));
+ label.lrt("MW: "&inf_MW,(0,h-13mm));)
endfont;
\end{verbatim}
%----------------------------------------------------------------------------
@@ -90,9 +89,9 @@
fsize:=(150mm,35mm);
if check(mc)=0: MC(scantokens(mc)) fi
ext(defaultscale:=0.8;
- label.lrt("FM(C): "&cal_FM,(0,h-5mm));
- label.lrt("MW(C): "&cal_MW,(0,h-9mm));
- label.lrt("MW(D): "&inf_MW,(0,h-13mm));)
+ label.lrt("fm: "&cal_FM,(0,h-5mm));
+ label.lrt("mw: "&cal_MW,(0,h-9mm));
+ label.lrt("MW: "&inf_MW,(0,h-13mm));)
endfont;
\end{mplibcode}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
@@ -126,9 +125,9 @@
fsize:=(120mm,30mm);
if check(mc)=0: MC(scantokens(mc)) fi
ext(defaultscale:=0.8;
- label.lrt("FM(C): "&cal_FM,(0,h-5mm));
- label.lrt("MW(C): "&cal_MW,(0,h-9mm));
- label.lrt("MW(D): "&inf_MW,(0,h-13mm));)
+ label.lrt("fm: "&cal_FM,(0,h-5mm));
+ label.lrt("mw: "&cal_MW,(0,h-9mm));
+ label.lrt("MW: "&inf_MW,(0,h-13mm));)
endfont;
\end{mplibcode}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
@@ -158,9 +157,9 @@
fsize:=(120mm,30mm);
if check(mc)=0: MC(scantokens(mc)) fi
ext(defaultscale:=0.8;
- label.lrt("FM(C): "&cal_FM,(0,h-5mm));
- label.lrt("MW(C): "&cal_MW,(0,h-9mm));
- label.lrt("MW(D): "&inf_MW,(0,h-13mm));)
+ label.lrt("fm: "&cal_FM,(0,h-5mm));
+ label.lrt("mw: "&cal_MW,(0,h-9mm));
+ label.lrt("MW: "&inf_MW,(0,h-13mm));)
endfont
\end{mplibcode}
%----------------------------------------------------------------------------
@@ -168,10 +167,10 @@
\noindent%
\begin{verbatim}
beginfont("EN:Kekulene","MW:600.7",
- %-----------------------------------------------------------------------
- ": <30,Ph,{3,-2,-3,-2,-3,-2,-3,-2,-3,-2}=?6,(-3,6)=?6[3], at -4,&6, ",
- ": {8,12,14,16,18,22,24,26,28,32,34,36,38,42,44,46,48,52,54,56,58}=dl ")
- %-----------------------------------------------------------------------
+ %------------------------------------------------------------------------------
+ ": <30,?6,{3,-3,-2,-3,-2,-3,-2,-3,-2,-3,(-2<,5<),(5<,-4<)}=?6, ",
+ ": {1,5<,7,9,11,13,17,19,21,23,27,29,31,33,37,39,41,43,47,49,51,53,57,60}=dl ")
+ %------------------------------------------------------------------------------
fsize:=(120mm,25mm);
if check(mc)=0: MC(scantokens(mc)) fi
endfont
@@ -179,14 +178,14 @@
%----------------------------------------------------------------------------
\begin{mplibcode}
beginfont("EN:Kekulene","MW:600.7",
- ": <30,Ph,{3,-2,-3,-2,-3,-2,-3,-2,-3,-2}=?6,(-3,6)=?6[3], at -4,&6, ",
- ": {8,12,14,16,18,22,24,26,28,32,34,36,38,42,44,46,48,52,54,56,58}=dl ")
+ ": <30,?6,{3,-3,-2,-3,-2,-3,-2,-3,-2,-3,(-2<,5<),(5<,-4<)}=?6, ",
+ ": {1,5<,7,9,11,13,17,19,21,23,27,29,31,33,37,39,41,43,47,49,51,53,57,60}=dl ")
fsize:=(120mm,25mm);
if check(mc)=0: MC(scantokens(mc)) fi
ext(defaultscale:=0.8;
- label.lrt("FM(C): "&cal_FM,(0,h-5mm));
- label.lrt("MW(C): "&cal_MW,(0,h-9mm));
- label.lrt("MW(D): "&inf_MW,(0,h-13mm));)
+ label.lrt("fm: "&cal_FM,(0,h-5mm));
+ label.lrt("mw: "&cal_MW,(0,h-9mm));
+ label.lrt("MW: "&inf_MW,(0,h-13mm));)
endfont
\end{mplibcode}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
@@ -215,7 +214,7 @@
\read\auxfile to \info%
\infotovar{\info} %%%% info to variables %%%%
\closein\auxfile%
-{\tt ** EN:\EN \quad MW(C):\MW \quad MW(D):\mw \quad FM(C):\fm}%
+{\tt ** EN:\EN \quad mw:\MW \quad MW:\mw \quad fm:\fm}%
%--------------------------------------------------------------------------------
\end{verbatim}
%--------------------------------------------------------------------------------
@@ -238,7 +237,7 @@
\infotovar{\info} %%%% info to variables %%%%
\closein\auxfile%
\verbatiminput{temp-mc.aux} %%%% input temp-mc.aux %%%%
-{\tt ** EN:\EN \quad MW(C):\MW \quad MW(D):\mw \quad FM(C):\fm}%
+{\tt ** EN:\EN \quad mw:\MW \quad MW:\mw \quad fm:\fm}%
%--------------------------------------------------------------------------------
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\newpage
Modified: trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
===================================================================
--- trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf 2021-12-12 22:29:10 UTC (rev 61283)
+++ trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf 2021-12-12 22:29:25 UTC (rev 61284)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 4.74 Copyright (c) 2013-2021 Akira Yamaji
+% mcf2graph ver 4.75 Copyright (c) 2013-2021 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,
@@ -38,7 +38,7 @@
% Set to use plain.mp (label,arrow,atom) : mpost -s labeloffset=2 FILENAME
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
tracingstats:=1;
-message "* This is mcf2graph ver 4.74 2021.11.23";
+message "* This is mcf2graph ver 4.75 2021.12.12";
%-------------------------------------------------------------------------------------------------
newinternal cntA,cntB,cntM,minX,minY,maxX,maxY,sftX,sftY,com,par,envT,envB,lenT,lineT,angT,rotT,
crR,nA,nB,nC,nD,nE,nF,nS,nL,nR,nU,nP,xpos,ypos,markA,markB,saveA,saveB,bondL;
@@ -533,8 +533,9 @@
enddef;
%-------------------------------------------------------------------------------------------------
vardef read_number(text TXT)=
- save --,-+,nA,nB,nC;
+ save --,-+,<,nA,nB,nC;
let -- == from_until;
+ def < == -3000 enddef;
parts_int:=parts_int+1;
nA:=0;
for list==TXT::
@@ -590,55 +591,88 @@
parts_int:=parts_int+1;
nCP:=0;
if numeric b::
- if (b>=si)and(b<=bd_):: CPe(a)(_set_line,b)
- elseif ((b>=?3)and(b<=?20))or(b==Ph1)or(b==Ph2)::
+ if (b>=si)and(b<=bd_)::
+ if a>=parts_int_start::
+ for i==1 upto cntD[a]::
+ if comD[a][i]==_numeric::
+ if parD[a][i]>=-999:: com_par(_set_adr,parD[a][i]) com_par(_set_line,b)
+ ef b==dl:: com_par(_set_adr,parD[a][i]+3000) com_par(_set_line,dr)
+ ef b==dr:: com_par(_set_adr,parD[a][i]+3000) com_par(_set_line,dl)
+ else:: com_par(_set_adr,parD[a][i]+3000) com_par(_set_line,b)
+ fi
+ fi
+ endfor
+ else:: com_par(_set_adr,a) com_par(_set_line,b)
+ fi
+ elseif (b>=?3)and(b<=?8[15])::
if numeric a::
if a>=parts_int_start::
for i==1 upto cntD[a]::
if comD[a][i]==_numeric::
- if b==Ph1::
- fuse_ring(parD[a][i],6)
+ if b==Ph1:: fuse_ring(parD[a][i],6)
CP(_set_adr,-2) CP(_set_line,dl) CP(_set_adr,-4) CP(_set_line,dl)
- ef b==Ph2::
- fuse_ring(parD[a][i],6)
+ ef b==Ph2:: fuse_ring(parD[a][i],6)
CP(_set_adr,-1) CP(_set_line,dl) CP(_set_adr,-3) CP(_set_line,dl)
CP(_set_adr,-5) CP(_set_line,dl)
- else::
- fuse_ring(parD[a][i],b-?3+3)
+ ef (b>=?5[11])and(b<=?5[15]):: fuse_ring_size(a,5,b-?5[11]+11)
+ ef (b>=?6[11])and(b<=?6[15]):: fuse_ring_size(a,6,b-?6[11]+11)
+ ef (b>=?7[11])and(b<=?7[15]):: fuse_ring_size(a,7,b-?7[11]+11)
+ ef (b>=?8[11])and(b<=?8[15]):: fuse_ring_size(a,8,b-?8[11]+11)
+ else:: fuse_ring(parD[a][i],b-?3+3)
fi
else::
- if b==?6:: fuse_ring_bonds((comD[a][i],parD[a][i]),parD[?6[4]][1],comD[?6[4]][2])
- ef b==?5:: fuse_ring_bonds((comD[a][i],parD[a][i]),parD[?5[3]][1],comD[?5[3]][2])
- ef b==?4:: fuse_ring_bonds((comD[a][i],parD[a][i]),parD[?4[2]][1],comD[?4[2]][2])
+ if b==?6:: if (comD[a][i]>=-999)and(parD[a][i]>=-999)::
+ fuse_ring_bonds((comD[a][i],parD[a][i]),6,4)
+ ef comD[a][i]>=-999::
+ fuse_ring_bonds((comD[a][i],parD[a][i]+3000),6,3)
+ ef parD[a][i]>=-999::
+ fuse_ring_bonds((comD[a][i]+3000,parD[a][i]),6,3)
+ else::
+ fuse_ring_bonds((comD[a][i]+3000,parD[a][i]+3000),6,2)
+ fi
+ ef b==?5:: if (comD[a][i]>=-999)and(parD[a][i]>=-999)::
+ fuse_ring_bonds((comD[a][i],parD[a][i]),5,3)
+ ef comD[a][i]>=-999::
+ fuse_ring_bonds((comD[a][i],parD[a][i]+3000),5,2)
+ ef parD[a][i]>=-999::
+ fuse_ring_bonds((comD[a][i]+3000,parD[a][i]),5,2)
+ fi
+ ef b==?4:: fuse_ring_bonds((comD[a][i],parD[a][i]),4,2)
+ ef b==?6[3]:: fuse_ring_bonds((comD[a][i],parD[a][i]),6,3)
+ ef b==?6[2]:: fuse_ring_bonds((comD[a][i],parD[a][i]),6,2)
+ ef b==?5[2]:: fuse_ring_bonds((comD[a][i],parD[a][i]),5,2)
+ ef b==Ph1:: fuse_ring_bonds((comD[a][i],parD[a][i]),6,4)
+ CP(_set_adr,-1) CP(_set_line,dl) CP(_set_adr,-3) CP(_set_line,dl)
+ ef b==Ph2:: fuse_ring_bonds((comD[a][i],parD[a][i]),6,4)
+ CP(_set_adr,-2) CP(_set_line,dl) CP(_set_adr,-4) CP(_set_line,dl)
fi
fi
endfor
else::
- if b==Ph1::
- fuse_ring(a,6) CP(_set_adr,-2) CP(_set_line,dl) CP(_set_adr,-4) CP(_set_line,dl)
- ef b==Ph2::
- fuse_ring(a,6) CP(_set_adr,-1) CP(_set_line,dl) CP(_set_adr,-3) CP(_set_line,dl)
- CP(_set_adr,-5) CP(_set_line,dl)
- else::
- fuse_ring(a,b-?3+3)
+ if b==Ph1:: fuse_ring(a,6) CP(_set_adr,-2) CP(_set_line,dl)
+ CP(_set_adr,-4) CP(_set_line,dl)
+ ef b==Ph2:: fuse_ring(a,6) CP(_set_adr,-1) CP(_set_line,dl)
+ CP(_set_adr,-3) CP(_set_line,dl) CP(_set_adr,-5) CP(_set_line,dl)
+ ef (b>=?5[11])and(b<=?5[15]):: fuse_ring_size(a,5,b-?5[11]+11)
+ ef (b>=?6[11])and(b<=?6[15]):: fuse_ring_size(a,6,b-?6[11]+11)
+ ef (b>=?7[11])and(b<=?7[15]):: fuse_ring_size(a,7,b-?7[11]+11)
+ ef (b>=?8[11])and(b<=?8[15]):: fuse_ring_size(a,8,b-?8[11]+11)
+ else:: fuse_ring(a,b-?3+3)
fi
fi
ef pair a::
- if b==?6:: fuse_ring_bonds(a,parD[?6[4]][1],comD[?6[4]][2])
- ef b==?5:: fuse_ring_bonds(a,parD[?5[3]][1],comD[?5[3]][2])
- ef b==?4:: fuse_ring_bonds(a,parD[?4[2]][1],comD[?4[2]][2])
- ef b==Ph1::
- fuse_ring_bonds(a,parD[?6[4]][1],comD[?6[4]][2])
- CP(_set_adr,-1) CP(_set_line,dl) CP(_set_adr,-3) CP(_set_line,dl)
- ef b==Ph2::
- fuse_ring_bonds(a,parD[?6[4]][1],comD[?6[4]][2])
- CP(_set_adr,-2) CP(_set_line,dl) CP(_set_adr,-4) CP(_set_line,dl)
+ if b==?6:: fuse_ring_bonds(a,6,4)
+ ef b==?5:: fuse_ring_bonds(a,5,3)
+ ef b==?4:: fuse_ring_bonds(a,4,2)
+ ef b==?6[3]:: fuse_ring_bonds(a,6,3)
+ ef b==?6[2]:: fuse_ring_bonds(a,6,2)
+ ef b==?5[2]:: fuse_ring_bonds(a,5,2)
+ ef b==Ph1:: fuse_ring_bonds(a,6,4)
+ CP(_set_adr,-1) CP(_set_line,dl) CP(_set_adr,-3) CP(_set_line,dl)
+ ef b==Ph2:: fuse_ring_bonds(a,6,4)
+ CP(_set_adr,-2) CP(_set_line,dl) CP(_set_adr,-4) CP(_set_line,dl)
fi
fi
- ef comD[b][1]==_fuse::
- if comD[b][2]<=6:: fuse_ring_bonds(a,parD[b][1],comD[b][2])
- elseif (comD[b][2]>=11)and(comD[b][2]<=15):: fuse_ring_size(a,parD[b][1],comD[b][2])
- fi
fi
elseif color b:: color_list[incr cntC]:=b; CPe(a)(_set_colorB,cntC)
fi
@@ -1974,6 +2008,9 @@
for i==3 upto 20: ?[i]:='((_com,_len_ss),(_get_len,_ring_len),<((-180 DIV i)-90)
for j==2 upto i:: ,(360 DIV i) endfor,(_cyc_sB,1-i),(_com,_len_ee)); endfor
Ph:=Ph1:='(?6,-2=dl,-4=dl,-6=dl); Ph2:='(?6,-1=dl,-3=dl,-5=dl);
+for i=4,5,6: for j=2 upto i-2: ?[i][j]:='(); endfor endfor
+for i=5,6,7,8: for j=11 upto 15: ?[i][j]:='(); endfor endfor
+%-------------------------------------------------------------------------------------------------
!:=!1:='((_mk_bond,_arrange_ang)); !!:='(!~db); !!!:='(!~tm);
for i==2 upto 20:
![i]:='((_com,_len_ss),(_get_len,_tmp_len),! for j==2 upto i::,! endfor ,(_com,_len_ee));
@@ -2003,8 +2040,6 @@
%-------------------------------------------------------------------------------------------------
lr:='(0,0,0,60 for i==1 upto 10:: ,-60,60 endfor);
rl:='(0,0,0,-60 for i==1 upto 10:: ,60,-60 endfor);
-for i=4,5,6: for j=2 upto i-2: ?[i][j]:='((_fuse,i),(j,0)); endfor endfor
-for i=5,6,7,8: for j=11 upto 15: ?[i][j]:='((_fuse,i),(j,0)); endfor endfor
%-------------------------------------------------------------------------------------------------
R:='("R"); R1:='("{R^1^}"); R2:='("{R^2^}"); R3:='("{R^3^}"); R4:='("R^4^"); R5:='("{R^5^}");
R6:='("R6"); R7:='("{R^7^}"); R8:='("{R^8^}"); R9:='("{R^9^}"); R10:='("R^10^"); R11:='("{R^11^}");
@@ -2078,8 +2113,6 @@
if nD= a_cmm: proc_err(7,nA) fi % & x
if nB<>a_cmm: proc_err(8,nA) fi % a &
ef nC=a_gtn: cnt_gtn:=cnt_gtn+1;
- if nD= a_cmm: proc_err(7,nA) fi % < x
- if nB<>a_cmm: proc_err(8,nA) fi % a <
ef nC=a_ltn: if nD= a_cmm: proc_err(7,nA) fi % > x
if nB= a_cmm: proc_err(7,nA) fi % x >
ef nC=a_tld: if nD= a_cmm: proc_err(7,nA) fi % ~ x
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