From d3e81aa32097675b1270931f573e8c751ad6b493 Mon Sep 17 00:00:00 2001 From: Karl Berry Date: Mon, 2 May 2016 01:29:10 +0000 Subject: mcf2graph (30apr16) git-svn-id: svn://tug.org/texlive/trunk@40823 c570f23f-e606-0410-a88d-b1316a301751 --- Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG | 6 +- Master/texmf-dist/doc/metapost/mcf2graph/README | 2 +- .../doc/metapost/mcf2graph/mcf_example.pdf | Bin 247719 -> 247803 bytes .../doc/metapost/mcf2graph/mcf_man_soc.mf | 4 +- .../doc/metapost/mcf2graph/mcf_manual.pdf | Bin 419705 -> 418448 bytes .../doc/metapost/mcf2graph/mcf_manual.tex | 62 ++++++++++++--------- .../doc/metapost/mcf2graph/mcf_mplib_exa.pdf | Bin 123503 -> 123677 bytes Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf | 11 ++-- 8 files changed, 49 insertions(+), 36 deletions(-) (limited to 'Master/texmf-dist') 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 Binary files a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf and b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf 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,, 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 Binary files a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf and b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf 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,},, -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 Binary files a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf and b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf 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 -- cgit v1.2.3