texlive[56217] Master/texmf-dist: mcf2graph (30aug20)
commits+karl at tug.org
commits+karl at tug.org
Sun Aug 30 23:13:16 CEST 2020
Revision: 56217
http://tug.org/svn/texlive?view=revision&revision=56217
Author: karl
Date: 2020-08-30 23:13:16 +0200 (Sun, 30 Aug 2020)
Log Message:
-----------
mcf2graph (30aug20)
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_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
trunk/Master/texmf-dist/tex/latex/mcf2graph/mcf_setup.sty
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG 2020-08-30 21:12:56 UTC (rev 56216)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG 2020-08-30 21:13:16 UTC (rev 56217)
@@ -1,6 +1,10 @@
*******************************************************************************
- Changelog of mcf2graph software package by Akira Yamaji 2020-08-10
+ Changelog of mcf2graph software package by Akira Yamaji 2020-08-30
*******************************************************************************
+[ver. 4.52 / 2020-08-30]
+ -improve aux file output,input
+ -update MCF manual,example
+
[ver. 4.51 / 2020-08-10]
-improve aux file output,input
-add style file mcf_setup.sty
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/README
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/README 2020-08-30 21:12:56 UTC (rev 56216)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/README 2020-08-30 21:13:16 UTC (rev 56217)
@@ -1,7 +1,7 @@
********************************************************************************
mcf2graph : Convert Molecular Coding Format to graphics with METAFONT/METAPOST
Author : Akira Yamaji
- version : 4.51 2020-08-10
+ version : 4.52 2020-08-30
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 2020-08-30 21:12:56 UTC (rev 56216)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf 2020-08-30 21:13:16 UTC (rev 56217)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2020.08.10
+% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2020.08.30
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf; %%% it must be version 4.51 or later
+input mcf2graph.mf; %%% it must be version 4.52 or later
%-------------------------------------------------------------------------
fsize:=(33mm,24mm);
max_blength:=4.5mm;
@@ -11,7 +11,7 @@
%%%%sw_aframe:=1;
%%%%sw_mframe:=1;
%%%%sw_expand:=1;
-tag1:="F"; tag2:="C"; tag3:="fm"; tag4:="mw";
+tag1:="F"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW";
%%%%tag5:="mi";
%%%%tag6:="w1";
%%%%tag7:="h1";
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 2020-08-30 21:12:56 UTC (rev 56216)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex 2020-08-30 21:13:16 UTC (rev 56217)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2020.08.10
+% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2020.08.30
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
\usepackage{graphicx}
@@ -13,19 +13,24 @@
\textheight=280mm
\parindent=0mm
\setlength\columnsep{8mm}
-%-------------------------------------------------------------------------------
+%-----------------------------------------------------------------------------
\makeatletter%
-\newbox \@stringbox%
-\newcount \fontnum%
+\newbox \f at box%
+\newcount \f at num%
\newcount \tnum%
\tnum=0%
\font\labelM=cmtt8 at 6pt\relax%
-%-------------------------------------------------------------------------------
+%-----------------------------------------------------------------------------
\newif\ifCONT@%
\newread\@auxf%
%------------------------------------------------------------------------
-\fontnum=1%
+\f at num=1%
\unitlength=0.01mm%
+%------------------------------------------------------------------------
+\edef\jobname{mcf_exa_soc}%
+\edef\f at ext{pk}%
+%%%%\edef\f at ext{mps}%
+%%%%\edef\f at ext{png}%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\begin{document}
\begin{center}
@@ -37,7 +42,7 @@
** MW:Molecular weight calculated by mcf2graph}\vspace{3mm}\\
%------------------------------------------------------------------------
\noindent%
-\openin\@auxf=mcf_exa_soc-info.aux%
+\openin\@auxf=\jobname-info.aux%
\CONT at true%
\loop%
\read\@auxf to \@info%
@@ -44,17 +49,23 @@
\ifeof\@auxf\CONT at false\else\@sfor\@info{\tag at var\@list}%
%------------------------------------------------------------
\begin{picture}(3750,3300)%
- \put(20,3000){\footnotesize\bf \the\fontnum:\EN}%
+ \put(20,3000){\footnotesize\bf \the\f at num:\EN}%
\put(20,2750){\labelM MW:\mw { / }FM:\fm}%
\put(20,2530){\labelM MW:\MW(data)}%
\put( 0,0){%
\makebox(3750,2530){%
- \font\@strufont=\File\relax\hbox{\@strufont\char\Char}%
+ \ifx\f at ext\@pk{\font\@font=\jobname\@font\char\f at num}%
+ \else%
+ \edef\f at file{\jobname-\z at num\f at num.\f at ext}%
+ \setbox\f at box=\hbox{\font\@font=\jobname\@font\char\f at num}%
+ \includegraphics[width=\wd\f at box,height=\ht\f at box]{\f at file}%
+%%%% \includegraphics{\f at file}%
+ \fi%
}%
}%
\end{picture}%
%------------------------------------------------------------
- \advance\fontnum1\relax%
+ \advance\f at num1\relax%
\advance\tnum1\relax%
\ifnum\tnum=5 \\ \tnum=0 \fi%
\fi%
@@ -63,3 +74,10 @@
%------------------------------------------------------------------------
\end{document}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+tnum=5 \\ \tnum=0 \fi%
+\fi%
+\ifCONT@ \repeat%
+\closein\@auxf%
+%------------------------------------------------------------------------
+\end{document}
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf 2020-08-30 21:12:56 UTC (rev 56216)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf 2020-08-30 21:13:16 UTC (rev 56217)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2020.08.10
+% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2020.08.30
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf; %% it must be version 4.51 or later
+input mcf2graph.mf; %% it must be version 4.52 or later
%------------------------------------------------------------------------
sw_mframe:=0;
sw_expand:=0;
@@ -869,7 +869,7 @@
endfont
%***********************************************************************
beginfont("EN:Switwch group off")
- fsize:=(60mm,15mm);
+ fsize:=(60mm,12mm);
MCat(.15, .5)(<30,Ph,4:/Cl,3:/F)
sw_group_off:=1;
MCat(.85, .5)(<30,Ph,4:/Cl,3:/F)
@@ -876,7 +876,7 @@
endfont
%***********************************************************************
beginfont("EN:Switwch bondtype off")
- fsize:=(60mm,15mm);
+ fsize:=(60mm,12mm);
MCat(.15, .5)(<30,Ph,4:/Cl,3:/F)
sw_single:=1;
MCat(.85, .5)(<30,Ph,4:/Cl,3:/F)
@@ -883,27 +883,34 @@
endfont
%***********************************************************************
beginfont("EN:Switwch font frame 1")
- fsize:=(40mm,12mm);
- fmargin:=(5mm,2mm);
+ fsize:=(40mm,10mm);
+ fmargin:=(5mm,1.5mm);
sw_fframe:=1;
MC(<30,Ph)
endfont
beginfont("EN:Switwch font frame 2")
- fsize:=(40mm,12mm);
- fmargin:=(5mm,2mm);
+ fsize:=(40mm,10mm);
+ fmargin:=(5mm,1.5mm);
sw_fframe:=2;
MC(<30,Ph)
endfont
beginfont("EN:Switwch font frame 3")
- fsize:=(40mm,12mm);
- fmargin:=(5mm,2mm);
+ fsize:=(40mm,10mm);
+ fmargin:=(5mm,1.5mm);
sw_fframe:=3;
MC(<30,Ph)
endfont
+beginfont("EN:Switwch font frame 4")
+ fsize:=(40mm,10mm);
+ fmargin:=(5mm,1.5mm);
+ sw_fframe:=4;
+ MC(<30,Ph)
+ ext(drawdot(0,0);drawdot(w,0);drawdot(w,h);drawdot(0,h);)
+endfont
%***********************************************************************
beginfont("EN:Switwch molecular frame")
sw_fframe:=1;
- fsize:=(40mm,15mm);
+ fsize:=(40mm,11mm);
msize:=(1,1);
sw_mframe:=1;
MC(<30,Ph)
@@ -910,7 +917,7 @@
endfont
%***********************************************************************
beginfont("EN:Switwch atom frame")
- fsize:=(60mm,15mm);
+ fsize:=(60mm,10mm);
sw_aframe:=1;
MC(<30,COOH,!,COOH)
endfont
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 2020-08-30 21:12:56 UTC (rev 56216)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex 2020-08-30 21:13:16 UTC (rev 56217)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format manual by Akira Yamaji 2020.08.10
+% Molecular Coding Format manual by Akira Yamaji 2020.08.30
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
%%%%\documentclass[a4paper,twoside]{article}
@@ -34,7 +34,6 @@
\fnum=29%
%----------------------------------------------------------------------------
\edef\MCFjobname{mcf_man_soc}%
-\edef\@pk{pk}%
%----------------------------------------------------------------------------
\edef\fext{pk}%
%%\edef\fext{mps}%
@@ -47,10 +46,7 @@
\def\MCFgraph{%
\ifx\fext\@pk{\hspace{5mm}\@strufont\char\fnum}%
\else%
-\ifnum\fnum<10\edef\pre at zero{00}%
-\else\ifnum\fnum<100\edef\pre at zero{0}%
-\else\edef\pre at zero{}\fi\fi%
-\edef\file at name{\MCFjobname-\pre at zero\the\fnum.\fext}%
+\edef\file at name{\MCFjobname-\z at num\fnum.\fext}%
\setbox\fbox=\hbox{\@strufont\char\fnum}%
\hspace{5mm}\includegraphics[width=\wd\fbox,height=\ht\fbox]{\file at name}%
\fi%
@@ -865,27 +861,18 @@
** default: sw_expand=0
\end{verbatim}
\MCFgraph\\
-\makebox[5mm]{}%
-\makebox[30mm]{\tt 0 :default}%
-\makebox[30mm]{\tt 1}%
%-----------------------------------------------------------------------------
\subsubsection{Group off mode}
\begin{verbatim}
** default: sw_group_off=0
\end{verbatim}
-\MCFgraph\\
-\makebox[5mm]{}%
-\makebox[30mm]{\tt 0 :default}%
-\makebox[30mm]{\tt 1}%
+\MCFgraph
%-----------------------------------------------------------------------------
\subsubsection{Single bond mode}
\begin{verbatim}
** default: sw_single=0
\end{verbatim}
-\MCFgraph\\
-\makebox[5mm]{}%
-\makebox[30mm]{\tt 0 :default}%
-\makebox[30mm]{\tt 1}%
+\MCFgraph
%-----------------------------------------------------------------------------
\subsection{Frame}
%-----------------------------------------------------------------------------
@@ -906,6 +893,11 @@
sw_fframe=3
\end{verbatim}
\MCFgraph
+\begin{verbatim}
+ (Draw small dot at corner)
+ sw_fframe=4
+\end{verbatim}
+\MCFgraph
%-----------------------------------------------------------------------------
\subsubsection{Molecular frame}
\begin{verbatim}
@@ -1391,7 +1383,7 @@
\end{verbatim}
\paragraph{(Setting)}
\begin{verbatim}
-tag1:="F"; tag2:="C"; tag3:="mw"; tag4:="fm";
+tag1:="F"; tag2:="C"; tag3:="mw"; tag4:="fm"; tag5:="EN";
\end{verbatim}
\paragraph{(Output)}
\begin{verbatim}
@@ -1401,12 +1393,12 @@
F:mcf_exa_soc;C:3;mw:470.5113;fm:C26H30O8;EN:Limonin
F:mcf_exa_soc;C:4;mw:536.8722;fm:C40H56;EN:beta-Carotene
-(sw_aux_out=2 (3))
-F;C;mw;fm(;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)
+(sw_aux_out=2)
+F;C;mw;fm
+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
(aux_delimiter="/")
F:mcf_man_soc/C:1/mw:349.40462/fm:C16H19N3O4S/EN:Ampicillin
@@ -1632,14 +1624,14 @@
%--------------------------------------------------------------------
\begin{document}
\unitlength=1mm%
-\INFO{F:mcf_man_soc,C:138,NO:1,mw:349.40462,fm:C16H19N3O4S,EN:Ampicillin}%
-\INFO{F:mcf_man_soc,C:139,NO:2,mw:386.6532,fm:C27H46O,EN:Cholesterol}%
+\INFO{F:mcf_man_soc,C:139,NO:1,mw:349.40462,fm:C16H19N3O4S,EN:Ampicillin}%
+\INFO{F:mcf_man_soc,C:140,NO:2,mw:386.6532,fm:C27H46O,EN:Cholesterol}%
\end{document}
%--------------------------------------------------------------------
\end{verbatim}%
%############################################################################
%------------------------------------------------------------------------
-\INFO{F:mcf_man_soc,C:138,NO:1,mw:349.40462,fm:C16H19N3O4S,EN:Ampicillin}%
-\INFO{F:mcf_man_soc,C:139,NO:2,mw:386.6532,fm:C27H46O,EN:Cholesterol}%
+\INFO{F:mcf_man_soc,C:139,NO:1,mw:349.40462,fm:C16H19N3O4S,EN:Ampicillin}%
+\INFO{F:mcf_man_soc,C:140,NO:2,mw:386.6532,fm:C27H46O,EN:Cholesterol}%
%------------------------------------------------------------------------
\end{document}
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 2020-08-30 21:12:56 UTC (rev 56216)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex 2020-08-30 21:13:16 UTC (rev 56217)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2020.08.10
+% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2020.08.30
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-%%% mcf2graph.mf it must be version 4.51 or later
+%%% mcf2graph.mf it must be version 4.52 or later
\documentclass{article}
%------------------------------------------------------------------------------
\usepackage{luamplib}%
Modified: trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
===================================================================
--- trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf 2020-08-30 21:12:56 UTC (rev 56216)
+++ trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf 2020-08-30 21:13:16 UTC (rev 56217)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 4.51 Copyright (c) 2013-2020 Akira Yamaji
+% mcf2graph ver 4.52 Copyright (c) 2013-2020 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,
@@ -42,7 +42,7 @@
numeric save_num[],comD[][],parD[][],adrD[][],cntD[],tbl_atom[],tbl_group[][],f_char[],
tbl_atom_wt[],tbl_atom_mi[],tbl_char_wd[],tbl_char_ht[],andA[],and_rot[],chargeA[],
com_group[][],par_group[][],cnt_group[],colorA[],colorB[];
-string save_str[],tbl_atom_str[],strD[],var[],tag[],mpc_name[],out_file_name,out_file_aux,
+string save_str[],tbl_atom_str[],strD[],tag[],mpc_name[],out_file_name,out_file_aux,
out_file_rep,out_file_mpc,aux_delimiter,atomfont,save_atomfont,save_defaultfont;
pair save_pair[],msize,mposition,fsize,fmargin,save_mposition,posBs,posBe;
picture mol_stru[],save_picture,temp_picture;
@@ -55,7 +55,7 @@
%-------------------------------------------------------------------------------------------------
aux_max:=max_inf_num:=20;
aux_delimiter:=";";
-for i=1 upto aux_max: var[i]:=tag[i]:=""; endfor
+for i=1 upto aux_max: tag[i]:=""; endfor
%=================================================================================================
if (known green)and(known ahlength):
f_MP:=1;
@@ -126,7 +126,7 @@
clearit;
%--------------------------------------------------------------------------------------------------
message "---------------------------------------------";
-message "This is mcf2graph ver 4.51 2020.08";
+message "This is mcf2graph ver 4.52 2020.08";
if f_MP=1:
if bboxmargin=0: message "output no image file";
elseif bboxmargin=1: message "output first font only";
@@ -254,7 +254,7 @@
def ext=ext_to_font enddef;
def add=add_to_molecule enddef;
%------------------------------------------------------------------------------------------------
- inf_NO:=inf_EN:=inf_JN:=inf_MW:=inf_FM:=inf_CAS:=inf_USE:=inf_EXA:=inf_EXB:="";
+ inf_NO:=inf_EN:=inf_JN:=inf_MW:=inf_FM:=inf_CAS:=inf_USE:=inf_EXA:=inf_EXB:="-";
cal_MW:=cal_MW_str:=cal_MI:=cal_MI_str:=cal_FM:="";
%------------------------------------------------------------------------------------------------
char_num:=char_num+1;
@@ -299,7 +299,7 @@
fi
if (sw_fframe=1)or(sw_fframe=3): ext(draw_frame((0,0),w,h,thickness_fframe);) fi
if (sw_fframe=2)or(sw_fframe=3): ext(draw_frame(p0,w0,h0,thickness_fframe);) fi
- if sw_fframe=4: ext(drawdot(0,0); drawdot(w,0); drawdot(w,h); drawdot(0,h);) fi
+ if sw_fframe=4: ext(draw_corner((0,0),w,h,0.2bp);) fi
for i=1 upto cntM:
addto currentpicture also mol_stru[i] shifted posM[0][i]; mol_stru[i]:=nullpicture;
if sw_mframe=1: ext(draw_frame(p[i],w[i],h[i],thickness_mframe)) fi
@@ -909,6 +909,13 @@
draw ((0,0)--(LX,0)--(LX,LY)--(0,LY)--cycle) shifted PS withpen pensquare scaled PN;
enddef;
%-------------------------------------------------------------------------------------------------
+def draw_corner(expr PS,LX,LY,PN)=
+ draw( 0, 0) shifted PS withpen pencircle scaled PN;
+ draw(LX, 0) shifted PS withpen pencircle scaled PN;
+ draw(LX,LY) shifted PS withpen pencircle scaled PN;
+ draw( 0,LY) shifted PS withpen pencircle scaled PN;
+enddef;
+%-------------------------------------------------------------------------------------------------
def proc_size_setup=
if (blen*ratio_atom_bond+offset_atom)<.8blen: atom_wd:=blen*ratio_atom_bond+offset_atom;
else: atom_wd:=.8blen; ratio_chain_ring:= .5;
@@ -1105,13 +1112,13 @@
f_term:=1;
fi
enddef;
-%--------------------------------------------------------------------------------------------------
+%-------------------------------------------------------------------------------------------------
def termB=
if f_term=0: if f_bra=0: cntA:=cntA+1; angX[cntA]:=angT mod 360; else:f_bra:=0; fi f_term:=1; fi
enddef;
-%--------------------------------------------------------------------------------------------------
+%-------------------------------------------------------------------------------------------------
def proc_cyc(expr n)= add_bond(angle(posA[n]-posBs)-angT); enddef;
-%--------------------------------------------------------------------------------------------------
+%-------------------------------------------------------------------------------------------------
vardef glu_atom(expr NUM)=
if numS[NUM]<>0: nE:=angT mod 90; nF:=0.5atom_wd;(iif(nE<45,sind(nE),cosd(nE))*nF)++nF else: 0 fi
enddef;
@@ -1278,7 +1285,7 @@
OCOMe:=OCO!:='(O,!,//O,!); NMeMe:=NMe!:='(N!,!); NMeEt:=NMe!2:='(N!,!,!); NMePr:=NMe!3:='(N!,!,!,!);
NHCOMe:=NHCO!:='(NH,!,//O,!); NHiPr:=NHMe!:='(NH,!,iPr); NHtBu:='(NH,!,tBu); NHMe:=NH!:='(NH,!);
NHEt:=NH!2:='(NH,!,!); NHPr:=NH!3:='(NH,!,!,!);
-%--------------------------------------------------------------------------------------------------
+%-------------------------------------------------------------------------------------------------
!OH:='(!,OH); !SH:='(!,SH); !NH2:='(!,NH2);
!COMe:=!CO!:='(!,//O,!); !COEt:=!CO!2:='(!,CO!2); !COPr:=!CO!3:='(!,CO!3);
!OMe:=!O!:='(!,O!); !OEt:=!O!2:='(!,O!2); !OPr:=!O!3:='(!,O!3); !OiPr:=!OMe!:='(!,OMe!);
@@ -1290,22 +1297,22 @@
!CH3:='(!,CH3); !CN:='(!,CN); !iPr:=!Me!:='(!,iPr); !tBu:='(!,tBu);
!CHO:='(!,CHO); !NO2:='(!,NO2); !Cl:='(!,Cl); !Br:='(!,Br); !F:='(!,F);
!?3:='(!,?3); !?4:='(!,?4); !?5:='(!,?5); !?6:='(!,?6); !?7:='(!,?7); !?8:='(!,?8); !Ph:='(!,Ph);
-%--------------------------------------------------------------------------------------------------
+%-------------------------------------------------------------------------------------------------
!2OH:='(!,!,OH); !2COOH:='(!,!,COOH); !2NH2:='(!,!,NH2); !2CN:='(!,!,CN); !2NO2:='(!,!,NO2);
!2CH3:='(!,!,CH3); !2CHO:='(!,!,CHO); !2SH:='(!,!SH); !2tBu:='(!,!,tBu); !2Cl:='(!,!,Cl);
!2?5:='(!,!,?5); !2?6:='(!,!,?6); !2Ph:='(!,!,Ph);
-%--------------------------------------------------------------------------------------------------
+%-------------------------------------------------------------------------------------------------
CF2:='(/F,60,F); CCl2:='(/Cl,60,Cl); CBr2:='(/Br,60,Br);
CF3:='(/F,/F^60,60,F); CCl3:='(/Cl,/Cl^60,60,Cl); CBr3:='(/Br,/Br^60,60,Br);
-%--------------------------------------------------------------------------------------------------
+%-------------------------------------------------------------------------------------------------
xCH3:='(/H,/H^60,60,H); xNH:='(N,/H); xNH2:='(N,/H,60,H); xNO2:='(N,//O,60~dm,O); xOH:='(O,!,H);
xCHO:='(//O,!,H); xCOOH:='(//O,!,O,!,H); xCN:='(!~tm,N); xSH:='(S,!,H);
-%==================================================================================================
+%=================================================================================================
init_par(parameter_list);
-%--------------------------------------------------------------------------------------------------
+%-------------------------------------------------------------------------------------------------
parts_emb_end:=parts_usr;
%%%%% message "parts_emb =" & decimal(parts_emb_start) &" => " & decimal(parts_emb_end);
-%--------------------------------------------------------------------------------------------------
+%-------------------------------------------------------------------------------------------------
def expand_set=
CH3:=xCH3; NH:=xNH; NH2:=xNH2; NO2:=xNO2; OH:=xOH; CHO:=xCHO; COOH:=xCOOH; CN:=xCN; SH:=xSH;
!CH3:='(!,CH3); !OH:='(!,OH); !NH2:='(!,NH2); !CHO:='(!,CHO); !COOH:='(!,COOH); !CN:='(!,CN);
@@ -1312,7 +1319,7 @@
!SH:='(!,SH); !NO2:='(!,NO2); !2CH3:='(!,!CH3); !2OH:='(!,!OH); !2NH2:='(!,!NH2);
!2CHO:='(!,!CHO); !2COOH:='(!,!COOH); !2CN:='(!,!CN); !2SH:='(!,!SH); !2NO2:='(!,!NO2);
enddef;
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
def char_size_set(expr WD)(expr HT)(expr STR)=
for j=0 upto length(STR)-1:
nA:=ASCII(pic_c(j,STR)); tbl_char_wd[nA]:=WD; tbl_char_ht[nA]:=HT;
@@ -1334,7 +1341,7 @@
char_size_set( .5)( .9)("j");
char_size_set(.35)( 1)("!|");
char_size_set( .4)( 1)(".,:;'`^");
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
def draw_char(expr CHR,POS,WD,PEN,NUM)=
begingroup
save Z,aW,aH,fW,fH,hW,hW,hH,fP,hP,zO,zOh,pos,dw,dwh,dwv,cdw,ppcs,sbp,sC;
@@ -1470,7 +1477,7 @@
fi
endgroup
enddef;
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
def blank_str:= " " enddef;
vardef fixed_r(expr n)(expr s)= (substring(0,n-length(s)) of blank_str)&s enddef;
vardef fixed_l(expr n)(expr s)= s&(substring(0,n-length(s)) of blank_str) enddef;
@@ -1477,7 +1484,7 @@
vardef fdr(expr n)(expr s)=fixed_r(n)(decimal(s)) enddef;
vardef fdl(expr n)(expr s)=fixed_l(n)(decimal(s)) enddef;
def warning(expr s)= message "% "&decimal(char_num)&fdr(3)(incr warning_cnt)&")"&s; enddef;
-%--------------------------------------------------------------------------------------------------
+%-------------------------------------------------------------------------------------------------
def bond_check(expr a)(text s)=
nF:=0; for list=s: if list=bond_cnt: nF:=1; fi endfor
if nF=0:
@@ -1484,7 +1491,7 @@
warning("A"&decimal(a)&" ( "&fixed_l(8)(strD[numS[a]])&") has"&fdr(2)(bond_cnt)&" bonds");
fi
enddef;
-%--------------------------------------------------------------------------------------------------
+%-------------------------------------------------------------------------------------------------
vardef stripP(expr ATOM)=
if length(ATOM)=4: substring (1,3) of ATOM
elseif length(ATOM)=6: substring (1,2) of ATOM
@@ -1491,7 +1498,7 @@
else: ATOM
fi
enddef;
-%==================================================================================================
+%=================================================================================================
def STa(expr ATOM,WT,MI)=
tbl_cnt:=tbl_cnt+1;
tbl_atom_str[tbl_cnt]:=ATOM;
@@ -1511,7 +1518,7 @@
endfor
endfor
enddef;
-%==================================================================================================
+%=================================================================================================
tbl_cnt:=0;
STa("C" ,12.0107, 12.0000000); STa("H" , 1.00794, 1.00782503223);
STa("{Al}",26.9815, 26.98153853); STa("{As}",74.9216, 74.92159457);
@@ -1533,12 +1540,12 @@
STa("{Se}",78.971, 79.9165218); STa("{Si}",28.0855, 27.97692653465);
STa("{Sn}",118.71, 119.90220163); STa("{Ti}",47.867, 47.94794198);
STa("{Zn}",65.409, 63.92914201);
-%--------------------------------------------------------------------------------------------------
+%-------------------------------------------------------------------------------------------------
STb("{H_2_}")("H","H"); STb("OH")("O","H"); STb("O{Na}")("O","{Na}"); STb("CN")("C","N");
STb("SH")("S","H"); STb("CHO")("C","H","O"); STb("N{O_2_}")("N","O","O");
STb("N{H_2_}")("N","H","H"); STb("S{O_3_}")("S","O","O","O"); STb("COOH")("C","O","O","H");
STb("C{H_3_}")("C","H","H","H"); STb("C{F_3_}")("C","F","F","F");
-%==================================================================================================
+%=================================================================================================
def proc_calc=
begingroup
save warning_cnt,MWp,knownA,bondC,tmp_wtp,bond_cnt,cnt_hide_H;
@@ -1602,7 +1609,7 @@
if sw_mol_out>=1: proc_mol_out; fi
endgroup
enddef;
-%==================================================================================================
+%=================================================================================================
def proc_auxfile_out=
message "["&decimal(char_num)&"]:"&inf_EN;
out_file_name:=out_file_aux;
@@ -1613,29 +1620,39 @@
%--------------------------------------------------------------------------------------
for i=1 upto aux_max: exitif tag[i]="";
if i=1: printf "" else: &aux_delimiter fi
- if sw_aux_out=1: &tag[i]&":" fi
- if tag[i]="F": & jobname
- elseif tag[i]="C": & decimal(char_num)
- elseif tag[i]="mw": & cal_MW
- elseif tag[i]="fm": & cal_FM
- elseif tag[i]="mi": & cal_MI
- elseif tag[i]="w": & decimal(xpart(fsize))
- elseif tag[i]="h": & decimal(ypart(fsize))
- elseif tag[i]="w1": & decimal(mol_wd)
- elseif tag[i]="h1": & decimal(mol_ht)
- elseif tag[i]="An": & decimal(cntA)
- elseif tag[i]="Bn": & decimal(cntB)
- else:
+ if (sw_aux_out=1)or(sw_aux_out=3): &tag[i]&":" fi
+ if tag[i]="F": & jobname
+ elseif tag[i]="C": & decimal(char_num)
+ elseif tag[i]="mw": & cal_MW
+ elseif tag[i]="fm": & cal_FM
+ elseif tag[i]="mi": & cal_MI
+ elseif tag[i]="w": & decimal(xpart(fsize))
+ elseif tag[i]="h": & decimal(ypart(fsize))
+ elseif tag[i]="w1": & decimal(mol_wd)
+ elseif tag[i]="h1": & decimal(mol_ht)
+ elseif tag[i]="An": & decimal(cntA)
+ elseif tag[i]="Bn": & decimal(cntB)
+ %-------------------------------------------
+ elseif tag[i]="NO": & inf_NO
+ elseif tag[i]="EN": & inf_EN
+ elseif tag[i]="JN": & inf_JN
+ elseif tag[i]="MW": & inf_MW
+ elseif tag[i]="MI": & inf_MI
+ elseif tag[i]="FM": & inf_FM
+ elseif tag[i]="CAS": & inf_CAS
+ elseif tag[i]="USE": & inf_USE
+ elseif tag[i]="EXA": & inf_EXA
+ elseif tag[i]="EXB": & inf_EXB
fi
endfor
- if (sw_aux_out=1)or(sw_aux_out=3): for i=1 upto inf_num: &aux_delimiter&info[i] endfor; fi
+ if sw_aux_out=3: for i=1 upto inf_num: &aux_delimiter&info[i] endfor; fi
enddef;
-%==================================================================================================
+%=================================================================================================
vardef round_auto(expr n)=
if (n<4) and(n>-4): round(n*1000)/1000 elseif (n<40) and(n>-40): round(n*100)/100
elseif (n<400)and(n>-400): round(n*10)/10 else: round(n) fi
enddef;
-%--------------------------------------------------------------------------------------------------
+%-------------------------------------------------------------------------------------------------
def proc_report_out=
message "["&decimal(char_num)&"]:"&inf_EN;
out_file_name:=out_file_rep;
@@ -1693,7 +1710,7 @@
if inf_FM<>"": &inf_FM&" / "& iif(inf_FM=cal_FM,"MACTCH","NOT MACTCH") fi;
printf "==================================================================";
enddef;
-%==================================================================================================
+%=================================================================================================
def proc_mol_out=
begingroup
save chg_cnt,chg_atm,chg_chg,nA,nB;
@@ -1765,4 +1782,4 @@
else: nA:=1; nB:=0;
fi
enddef;
-%--------------------------------------------------------------------------------------------------
+%-------------------------------------------------------------------------------------------------
Modified: trunk/Master/texmf-dist/tex/latex/mcf2graph/mcf_setup.sty
===================================================================
--- trunk/Master/texmf-dist/tex/latex/mcf2graph/mcf_setup.sty 2020-08-30 21:12:56 UTC (rev 56216)
+++ trunk/Master/texmf-dist/tex/latex/mcf2graph/mcf_setup.sty 2020-08-30 21:13:16 UTC (rev 56217)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf_setup.sty for input aux file by Akira Yamaji 2020.08.10
+% mcf_setup.sty for input aux file by Akira Yamaji 2020.08.30
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\edef\@F{F} \edef\File{}% 1
\edef\@C{C} \edef\Char{}% 2
@@ -27,6 +27,12 @@
\edef\@EXA{EXA} \edef\EXA{}% 19
\edef\@EXB{EXB} \edef\EXB{}% 20
%---------------------------------------------------------------------------
+\edef\@pk{pk}%
+\edef\@mps{mps}%
+\edef\@eps{eps}%
+\edef\@png{png}%
+\edef\@png{svg}%
+%---------------------------------------------------------------------------
\def\@tag at param#1:#2;{#1}%
\def\@var at param#1:#2;{#2}%
%----------------------------------------
@@ -63,10 +69,12 @@
%----------------------------------------
\fi%
}%
+%-----------------------------------------------------------------------------
+\def\z at num#1{\ifnum#1<10 00\the#1\else\ifnum#1<100 0\the#1\else \the#1\fi\fi}%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% sfor : modified latex2e kernel program control
% @for => @sfor delimiter ',' => ';'
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+%-----------------------------------------------------------------------------
\def\@sfor#1#2{\expandafter\def\expandafter\@tmp\expandafter{#1}%
\ifx\@tmp\@empty\else\expandafter\@rep#1;\@nil;\@@\@list{#2}\fi}%
%------------------------------------------------------------------
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