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authorKarl Berry <karl@freefriends.org>2016-05-02 01:29:10 +0000
committerKarl Berry <karl@freefriends.org>2016-05-02 01:29:10 +0000
commitd3e81aa32097675b1270931f573e8c751ad6b493 (patch)
tree4eb6d7284523c33e707739d79017d803ec1d40bc /Master
parent4e14934276fc70a5afc031af94c8fda6b003a388 (diff)
mcf2graph (30apr16)
git-svn-id: svn://tug.org/texlive/trunk@40823 c570f23f-e606-0410-a88d-b1316a301751
Diffstat (limited to 'Master')
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG6
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/README2
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdfbin247719 -> 247803 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf4
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdfbin419705 -> 418448 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex62
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdfbin123503 -> 123677 bytes
-rw-r--r--Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf11
8 files changed, 49 insertions, 36 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
index 122e186f119..df5f12f2b27 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
@@ -1,6 +1,10 @@
*******************************************************************************
- Changelog of mcf2graph software package by Akira Yamaji 2016-04-28
+ Changelog of mcf2graph software package by Akira Yamaji 2016-05-01
*******************************************************************************
+[ver. 3.91 / 2016-05-01]
+ -add information tag and var for fixed aux file
+ -update MCF syntax manual
+
[ver. 3.90 / 2016-04-28]
-add parameter 'sw_auxfix'
fixed aux information format is added
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README
index 33b39bda791..83affcc086c 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 : 3.90 2016-04-28
+ version : 3.91 2016-05-01
E-mail : mcf2graph@gmail.com
Located at : http://www.ctan.org/pkg/mcf2graph
********************************************************************************
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
index 96197a932a1..d3a9644fb70 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_man_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
index 2fd83a42d18..d0ba778edc9 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
@@ -14,8 +14,8 @@ sw_start_vector:=0;
%%%%%sw_checklist:=1;
%***********************************************************************
beginfont("NO:1","EN:Chlorophyll a","MW:893.49","FM:C55H72MgN4O5")
- font_wd#:=110mm#;
- font_ht#:=40mm#;
+ font_wd#:=100mm#;
+ font_ht#:=35mm#;
MCf(<54,
{,``1,?5,$(2,5)d,4:N,3\,54~dl,|,?5,$(2,4)d,5:N,
-2\,54~dl,|,?5,2=d,5:N,-2\~dl,54,|,?5,5=d,5:N,-2\~dl,&#5,
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
index e72faab65e2..bab3f2e60ee 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 19ef435e1c8..12d4a4c4da4 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 2016.04.28
+% Molecular Coding Format manual by Akira Yamaji 2016.05.01
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
\usepackage[dvipdfmx]{graphicx}
@@ -28,6 +28,8 @@
\makebox(72,3.5)[t]{\frame{\makebox(68,42.3){\@strufont\char\fontnum}}}%
\advance\fontnum\@ne\relax\advance\tempnum\@ne\relax}%
%--------------------------------------------------------------------
+\def\@F{F}\def\@C{C}\def\@EN{EN}\def\@NO{NO}\def\@MW{MW}\def\@cFM{cFM}%
+\def\@fst#1:#2;{#1}\def\@sec#1:#2;{#2}%
\def\mol@sel#1{%
\if#1\empty\relax\else%
\edef\@tag{\expandafter\@fst#1;}%
@@ -39,11 +41,8 @@
\ifx\@tag\@MW\edef\MOLmw{\@var}\fi
\ifx\@tag\@cFM\edef\CALfm{\@var}\fi
\fi}%
-\def\@F{F}\def\@C{C}\def\@EN{EN}\def\@NO{NO}\def\@MW{MW}\def\@cFM{cFM}%
-\def\@fst#1:#2;{#1}%
-\def\@sec#1:#2;{#2}%
\def\put@char{%
- \begin{picture}(120,45)%
+ \begin{picture}(120,40)%
\put(10,35){\bf [\MOLnum] \MOLnameE}%
\put(16,30){\tt MW:\MOLmw}%
\put(16,25){\tt FM:\CALfm}%
@@ -85,7 +84,12 @@ font_wd#:=60mm#; % font width >
font_ht#:=40mm#; % font height >
var3:="cal_MW"; tag3:="cMW"; > AUX file table
var4:="cal_FM"; tag4:="cFM"; >
+%%%% var5:="len_x"; tag5:="Lx"; >
+%%%% var6:="len_y"; tag6:="Ly"; >
+%%%% sw_auxfix:=1; % fixed aux file > fixed AUX file
+%%%% auxtag_out; % tag list output >
outputformat:="png"; hppp:=vppp:=0.1; > PNG output
+%%%% outputformat:="svg"; > SVG output
outputtemplate:="%j-%3c.png"; >
%-------------------------------------------------------------------------
beginfont("NO:1","EN:Chlorophyll a","MW:893.49") % begin font(information)
@@ -109,15 +113,20 @@ endfont % end font
bye
\end{verbatim}
%----------------------------------------------------------------------------
-{\bf (Molecular structure diagram output)}\vspace{3mm}\\
- \frame{\makebox(100,44){\@strufont\char0}}\vspace{6mm}\\
+{\bf (Molecular structure diagram output)}\\
+ \makebox(120,30){\@strufont\char0}\\
%----------------------------------------------------------------------------
\noindent%
{\bf (Molecular information output)}\\
'filename'-info.aux : for use in \TeX, it takes over filename,
char number, molecular information,etc.
\begin{verbatim}
+(sw_auxfix=0)
F:mcf_man_soc;C:0;cMW:893.48962;cFM:C55H72MgN4O5;NO:1;EN:Chlorophyll a;MW:893.49
+
+(sw_auxfix=1)
+F;C;cMW;cFM;NO;EN;MW
+mcf_man_soc;0;893.48962;C55H72MgN4O5;1;Chlorophyll a;893.49
\end{verbatim}
( tag : variable )\\
F:filename C:char number,cMW:molecular weight calculated,
@@ -134,6 +143,8 @@ MW:molecular weight from literature data\vspace{5mm}\\
\pagestyle{empty}
\makeatletter%
%--------------------------------------------------------------------
+\def\@F{F}\def\@C{C}\def\@EN{EN}\def\@NO{NO}\def\@MW{MW}\def\@FMc{FMc}%
+\def\@fst@param#1:#2;{#1}\def\@sec@param#1:#2;{#2}%
\def\mol@sel#1{%
\if#1\empty\relax\else%
\edef\@tag{\expandafter\@fst@param#1;}%
@@ -145,9 +156,6 @@ MW:molecular weight from literature data\vspace{5mm}\\
\ifx\@tag\@MW\edef\MOLmw{\@var}\fi
\ifx\@tag\@FMc\edef\CALfm{\@var}\fi
\fi}%
-\def\@F{F}\def\@C{C}\def\@EN{EN}\def\@NO{NO}\def\@MW{MW}\def\@FMc{FMc}%
-\def\@fst@param#1:#2;{#1}%
-\def\@sec@param#1:#2;{#2}%
\def\put@char{%
\begin{picture}(120,45)%
\put(10,35){\bf [\MOLnum] \MOLnameE}%
@@ -155,9 +163,7 @@ MW:molecular weight from literature data\vspace{5mm}\\
\put(16,25){\sf FM:\CALfm}%
\put(0,0){\font\@strufont=\MOLfile\relax%
\hbox{\@strufont\char\MOLchar}}%
- \end{picture}%
-}
-%--------------------------------------------------------------------
+ \end{picture}}%
\def\INFO#1{\@for\@temp:=#1\do{\mol@sel\@temp}\put@char}%
\makeatother
%--------------------------------------------------------------------
@@ -1192,20 +1198,22 @@ F:mcf_man_soc/C:87/EN:Warfarin/CAS:81-81-2
\vspace{5mm}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][37mm]{90mm}
-\MCFtitle{Example(1) Ampicillin}
+\MCFtitle{Fixed aux information}
\begin{verbatim}
-
- <45,?4,2:N,2=?5,-1:S,
- @(3^45,4^-45)/*H,1://O^15,
- 5:/*COOH^-18,@(6^35,6^-35)/Me,
- 4\^75,NH,!,//O,!,NH,!,Ph
+tag3:="NO"; var3:="inf_NO";
+tag4:="EN"; var4:="inf_EN";
+sw_auxfix:=1; auxtag_out;
+beginfont("EN:Ampicillin","NO:1") ... endfont
+%% Output to mcf_man_soc-info.aux %%
+F;C;NO;EN
+mcf_man_soc;88;1;Ampicillin
\end{verbatim}
\end{minipage}
\MCFstructure
\vspace{5mm}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][37mm]{90mm}
-\MCFtitle{Example(2) Cholesterol}
+\MCFtitle{Example(1) Cholesterol}
\begin{verbatim}
<30,?6,$(-4,-2)?6,-4=?5,7=dl,
@@ -1218,7 +1226,7 @@ F:mcf_man_soc/C:87/EN:Warfarin/CAS:81-81-2
\vspace{5mm}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][37mm]{90mm}
-\MCFtitle{Example(3) Colchicine}
+\MCFtitle{Example(2) Colchicine}
\begin{verbatim}
<30,Ph,@(1,2,6)/OMe,|,-4=?7,
|,-5=?7,$(-1,-4,-6)dl,-2://O,-3:/OMe,
@@ -1229,7 +1237,7 @@ F:mcf_man_soc/C:87/EN:Warfarin/CAS:81-81-2
\vspace{5mm}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][37mm]{90mm}
-\MCFtitle{Example(4) Lycorine}
+\MCFtitle{Example(3) Lycorine}
\begin{verbatim}
<30,Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3],
@@ -1241,7 +1249,7 @@ F:mcf_man_soc/C:87/EN:Warfarin/CAS:81-81-2
\vspace{5mm}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][37mm]{90mm}
-\MCFtitle{Example(5) Gibberellin}
+\MCFtitle{Example(4) Gibberellin}
\begin{verbatim}
<12,?6`1.3,3=?5,9=?7,12\^160`1.6,&8,
4\^155~zf`1.2,O,55,//O^180`1,&2~zb,
@@ -1254,7 +1262,7 @@ F:mcf_man_soc/C:87/EN:Warfarin/CAS:81-81-2
\vspace{5mm}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][37mm]{90mm}
-\MCFtitle{Example(6) Capsaicin}
+\MCFtitle{Example(5) Capsaicin}
\begin{verbatim}
<30,Ph,
1:/OH,6:/OMe,4\,!,NH,!,//O,
@@ -1265,7 +1273,7 @@ F:mcf_man_soc/C:87/EN:Warfarin/CAS:81-81-2
\vspace{5mm}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][37mm]{90mm}
-\MCFtitle{Example(7) Quinine}
+\MCFtitle{Example(6) Quinine}
\begin{verbatim}
<30,Ph,3=Ph,7:N,6:/OMe,
10\,*/OH,/H~zf^-60,!,
@@ -1278,7 +1286,7 @@ F:mcf_man_soc/C:87/EN:Warfarin/CAS:81-81-2
\vspace{5mm}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][37mm]{90mm}
-\MCFtitle{Example(8) Atoropin}
+\MCFtitle{Example(7) Atoropin}
\begin{verbatim}
<-30,O,!,//O,!,!,Ph,
#1\~zb^-120,
@@ -1290,7 +1298,7 @@ F:mcf_man_soc/C:87/EN:Warfarin/CAS:81-81-2
\vspace{5mm}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][37mm]{90mm}
-\MCFtitle{Example(9) Paclitaxel}
+\MCFtitle{Example(8) Paclitaxel}
\begin{verbatim}
?6,5=d,3*,{,``1,36,45,45,45,45,},&#5,
-4=?6,-4=?4,-1=wb,-3=wf,-1: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 36cfaddf07d..40b550b849d 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/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
index af64639b040..c923e973f3a 100644
--- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
+++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 3.90 Copyright (c) 2013-2016 Akira Yamaji
+% mcf2graph ver 3.91 Copyright (c) 2013-2016 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,
@@ -30,7 +30,7 @@
% Set output checklist : mpost -s ahlength=2 FILENAME
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
tracingstats:=1;
-message " This is mcf2graph ver 3.9 2016.4";
+message " This is mcf2graph ver 3.9 2016.5";
%-------------------------------------------------------------------------------------------------
pair posB[],posA[],pairT,Ls,Le,pairA;
numeric angB[],angA[],br_ang[],sB[],eB[],f_FON[],atom_w[],atom_h[],atom_d[],strA[],stkB[],stkA[],
@@ -38,8 +38,8 @@ numeric angB[],angA[],br_ang[],sB[],eB[],f_FON[],atom_w[],atom_h[],atom_d[],strA
comMC[][],parMC[][],stock_p[],cntMC[],colorA[],colorB[],tblN[],tblB[][],wtA[],sumA[],
CH[],NH[],NO[],SO[],CCl[],CF[],CBr[],?[],![],Ph[];
path pA,pB,pC,pT;
-string info[],tblA[],com_str[],var[],tag[],cal_FM,mp_log_name,inf_EN,inf_JN,inf_FM,cal_MW_str,
- inf_USE,inf_EXA,inf_EXB,inf_str,aux_delimiter;
+string info[],tblA[],com_str[],var[],tag[],cal_FM,mp_log_name,inf_EN,inf_JN,inf_FM,
+ inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_str,cal_MW_str,aux_delimiter;
picture atom_font[],chem_structure,temp_picture;
%-------------------------------------------------------------------------------------------------
sw_numberA:=sw_numberB:=sw_mol_frame:=sw_auxout:=sw_solid:=sw_expand:=sw_start_vector:=0;
@@ -107,7 +107,7 @@ def restore_par(text t)= nA:=0;
enddef;
%-------------------------------------------------------------------------------------------------
def beginfont(text s)=
- inf_EN:=inf_JN:=inf_FM:=inf_USE:=inf_EXA:=inf_EXB:="";
+ inf_EN:=inf_JN:=inf_FM:=inf_CAS:=inf_USE:=inf_EXA:=inf_EXB:="";
len_x:=len_y:=cntA:=inf_num:=inf_MW:=f_beginchar:=0;
store_par(parameter_list); stock_wd#:=font_wd#; stock_ht#:=font_ht#;
ratio_bond_width:=1/30;
@@ -117,6 +117,7 @@ def beginfont(text s)=
elseif substring (0,2) of list="EN": inf_EN:=substring (3,length(list)) of list;
elseif substring (0,2) of list="JN": inf_JN:=substring (3,length(list)) of list;
elseif substring (0,2) of list="FM": inf_FM:=substring (3,length(list)) of list;
+ elseif substring (0,3) of list="CAS": inf_CAS:=substring (4,length(list)) of list;
elseif substring (0,3) of list="USE": inf_USE:=substring (4,length(list)) of list;
elseif substring (0,3) of list="EXA": inf_EXA:=substring (4,length(list)) of list;
elseif substring (0,3) of list="EXB": inf_EXB:=substring (4,length(list)) of list; fi