diff options
author | Karl Berry <karl@freefriends.org> | 2018-11-11 21:55:22 +0000 |
---|---|---|
committer | Karl Berry <karl@freefriends.org> | 2018-11-11 21:55:22 +0000 |
commit | a33f60e20f19ec0a00810f07db905f91903845ab (patch) | |
tree | 309ce37b9a401787cd80026feb327139f5ebb8df /Master/texmf-dist | |
parent | d26e36a7af1638a97846cd2a0fe89af663d5b08a (diff) |
mcf2graph (11nov18)
git-svn-id: svn://tug.org/texlive/trunk@49129 c570f23f-e606-0410-a88d-b1316a301751
Diffstat (limited to 'Master/texmf-dist')
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG | 12 | ||||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/README | 25 | ||||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf | 8 | ||||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf | bin | 235044 -> 281254 bytes | |||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex | 2 | ||||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-064.mps (renamed from Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-064.eps) | 2 | ||||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf | 6 | ||||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf | bin | 476093 -> 571393 bytes | |||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex | 43 | ||||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf | bin | 179526 -> 179611 bytes | |||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex | 4 | ||||
-rw-r--r-- | Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf | 65 |
12 files changed, 98 insertions, 69 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG index 51a7cac05e6..55ceeec4f0a 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG +++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG @@ -1,6 +1,16 @@ ******************************************************************************* - Changelog of mcf2graph software package by Akira Yamaji 2018-06-18 + Changelog of mcf2graph software package by Akira Yamaji 2018-11-11 ******************************************************************************* +[ver. 4.34 / 2018-11-11] + -change default driver(graphicx,hyperref) + dvipdfmx => pdftex + -change file name + mcf_man_soc-064.eps => mcf_man_soc-064.mps + -change command-line parameter settings + -change option parameter name + sw_report => sw_rep_out + -update MCF manual + [ver. 4.33 / 2018-06-18] -change syntax n:& n:& => n:# diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README index 02d15fa1245..7ddecdd5322 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 : 4.33 2018-06-18 + version : 4.34 2018-11-11 E-mail : mcf2graph@gmail.com Located at : http://www.ctan.org/pkg/mcf2graph ******************************************************************************** @@ -19,11 +19,11 @@ ( 3) mcf2graph.mf Macro of Metafont / Metapost ( 4) mcf_manual.tex MCF syntax manual(LaTeX file) ( 5) mcf_man_soc.mf Molecular difinition file for mcf_manual.tex - ( 6) mcf_man_soc-064.eps No.64 EPS(with color) file of (4) + ( 6) mcf_man_soc-064.mps No.64 EPS(with color) file of (4) ( 7) mcf_manual.pdf PDF of (4) (used LaTeX,dvipdfmx) ( 8) mcf_example.tex LaTeX example, Make file 'mcf_exa_soc-info.aux' before typeset - >mpost -s ahangle=0 mcf_exa_soc.mf + >mpost -s ahlength=1 -s bboxmargin=0 mcf_exa_soc.mf ( 9) mcf_exa_soc.mf Molecular difinition file for mcf_example.tex (10) mcf_example.pdf PDF of (8) (used LaTeX,dvipdfmx) (11) mcf_mplib_exa.tex luamplib(LuaLaTeX) example @@ -31,14 +31,17 @@ 3. How to use mcf2graph with Metapost Minimum requirement to run mcf2graph : mpost.exe,mpost.dll,mpost.mp,plain.mp - ( 1) >mpost -s ahangle=0 FILENAME => output no graphic file - ( 2) >mpost -s ahangle=1 FILENAME => output PNG file (default:eps) - ( 3) >mpost -s ahangle=2 FILENAME => output SVG file - ( 4) >mpost -s ahangle=3 FILENAME => output MDL Molfile(V2000) - ( 5) >mpost -s ahangle=4 FILENAME => output MDL Molfile(V3000) - ( 6) >mpost -s ahlength=1 FILENAME => output first definition only (for test) - ( 7) >mpost -s ahlength=2 FILENAME => output report - ( 8) >mpost -s ahlength=3 FILENAME => use plain.mp 'label','drawarrow' + ( 1) >mpost -s bboxmargin=0 FILENAME => output no graphic file + ( 2) >mpost -s bboxmargin=1 FILENAME => output first font only (for test) + ( 3) >mpost -s ahangle=1 FILENAME => output PNG file (default:eps) + ( 4) >mpost -s ahangle=2 FILENAME => output SVG file + ( 5) >mpost -s ahangle=3 FILENAME => output EPS file + ( 6) >mpost -s ahlength=1 FILENAME => output aux file + ( 7) >mpost -s ahlength=2 FILENAME => output report file + ( 8) >mpost -s ahlength=5 FILENAME => output MDL Molfile(V2000) + ( 9) >mpost -s ahlength=6 FILENAME => output MDL Molfile(V3000) + (10) >mpost -s labeloffset=1 FILENAME => use plain.mp 'label','drawarrow' + (11) >mpost -s labeloffset=2 FILENAME => atomfont="uhvr8r" 4. License Permission is hereby granted, free of charge, to any person obtaining a copy diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf index b97f73ae3f4..b346a94eb53 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf @@ -1,14 +1,14 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2018.06.18 +% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2018.11.11 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -input mcf2graph.mf; %%% it must be version 4.33 or later +input mcf2graph.mf; %%% it must be version 4.34 or later %------------------------------------------------------------------------- font_wd:=33mm; font_ht:=24mm; max_bond_length:=4.5mm; %------------------------------------------------------------------------- sw_select:=1; -sw_aux_out:=1; +%%%sw_aux_out:=1; sw_font_frame:=0; sw_atom_frame:=0; %%%% sw_expand:=1; @@ -24,7 +24,7 @@ var4:="cal_MW"; tag4:="cMW"; %%%% var8:="inf_USE"; tag8:="USE"; %%%% var9:="inf_EXA"; tag9:="EXA"; %%%% auxtag_out; -%%%% sw_report:=1; +%%%% sw_rep_out:=1; %%%% sw_mol_out:=1; %%%% outputformat:="png"; hppp:=vppp:=0.1; outputtemplate:="%j-%3c.png"; %*************************************************************************** diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf Binary files differindex c050d3b9fe7..42370c3c64c 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex index 460e6b14c1a..14a9321470f 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2018.06.18 +% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2018.11.11 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage{graphicx} diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-064.eps b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-064.mps index 38a5af157e0..614deac5da2 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-064.eps +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-064.mps @@ -2,7 +2,7 @@ %%BoundingBox: -1 -1 212 60 %%HiResBoundingBox: -0.09962 -0.09962 211.90288 59.64348 %%Creator: MetaPost 2.00 -%%CreationDate: 2018.06.18:0626 +%%CreationDate: 2018.11.10:1325 %%Pages: 1 %%DocumentResources: procset mpost-minimal %%+ font NJFVSO-NimbusSanL-Regu ICXWUR-CMR8 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 2c171b5cb80..99b0756f6ab 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf @@ -1,14 +1,14 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2018.06.18 +% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2018.11.11 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -input mcf2graph.mf; %% it must be version 4.33 or later +input mcf2graph.mf; %% it must be version 4.34 or later %------------------------------------------------------------------------ sw_aux_out:=0; sw_mol_frame:=0; sw_expand:=0; sw_solid:=2; %%%%%sw_arrow:=1; -%%%%%sw_report:=1; +%%%%%sw_rep_out:=1; %*********************************************************************** font_wd:=35mm; font_ht:=25mm; diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf Binary files differindex 638d03bcdd0..04ed3615aed 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex index 7697177abfc..03aae71f77b 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex @@ -1,14 +1,14 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format manual by Akira Yamaji 2018.06.18 +% Molecular Coding Format manual by Akira Yamaji 2018.11.11 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} %%%%\documentclass[a4paper,twoside]{article} %%%%\usepackage{graphicx} -\usepackage[dvipdfmx]{graphicx} -%%%%\usepackage[pdftex]{graphicx} -%%%%\usepackage{epstopdf} -\usepackage[dvipdfmx]{hyperref} -%%%%\usepackage[pdftex]{hyperref} +\usepackage[pdftex]{graphicx} +\usepackage{epstopdf} +%%%%\usepackage[dvipdfmx]{graphicx} +\usepackage[pdftex]{hyperref} +%%%%\usepackage[dvipdfmx]{hyperref} \hypersetup{colorlinks=true,linkcolor=blue} \topmargin=-18mm \textheight=254mm @@ -552,7 +552,8 @@ pk font,PNG,SVG,EPS or MDL MOL file.\\ MCa(1,0.5)(<30,Ph,{1,5}:N,3:/COOH,4:/NO2) ext(label.urt("(cmr8)",p0+(0,h));) \end{verbatim} -\hspace{5mm}\includegraphics{mcf_man_soc-064.eps}% for dvipdfmx +\hspace{5mm}\includegraphics{mcf_man_soc-064.mps}% for pdftex +%%%%\hspace{5mm}\includegraphics{mcf_man_soc-064.eps}% for dvipdfmx %%%%\hspace{5mm}\includegraphics[width=7cm]{mcf_man_soc-064.png}% for dvipdfmx %%%%\MCFstructure % for Metafont \advance\fontnum\@ne\relax\advance\tempnum\@ne\relax% @@ -1308,13 +1309,13 @@ drawarrow & drawdblarrow: %------------------------------------------------------------------------- input mcf2graph.mf; % input macro %------------------------------------------------------------------------- -sw_auxout:=1; % aux(information) file output on > Gloval setting +sw_aux_out:=1; % aux(information) file output on > Gloval setting font_wd:=60mm; % font width > font_ht:=40mm; % font height > var3:="cal_MW"; tag3:="cMW"; > AUX file table var4:="cal_FM"; tag4:="cFM"; > -%%%% sw_report:=1; > Report output -%%%% sw_MOLout:=1; > MOL file output +%%%% sw_rep_out:=1; > Report output +%%%% sw_mol_out:=1; > MOL file output outputformat:="png"; hppp:=vppp:=0.1; > PNG output outputtemplate:="%j-%3c.png"; > %------------------------------------------------------------------------- @@ -1364,12 +1365,12 @@ bye \subsection{Information auxfile output} \paragraph{(Insert option parameter setting)} \begin{verbatim} - sw_auxout:=1; - ** default : sw_auxout=0 + sw_aux_out:=1; + ** default : sw_aux_out=0 \end{verbatim} \paragraph{(Command line)} \begin{verbatim} - >mpost -s ahangle=0 FILENAME (molecular definition file) + >mpost -s ahlength=1 -s bboxmargin=0 FILENAME \end{verbatim} \paragraph{(Sourse)} \begin{verbatim} @@ -1430,12 +1431,12 @@ cFM : molecular formula calculated \subsection{Report output} \paragraph{(Insert option parameter setting)} \begin{verbatim} - sw_report:=1; - ** default : sw_report=0 + sw_rep_out:=1; + ** default : sw_rep_out=0 \end{verbatim} \paragraph{(Command line)} \begin{verbatim} - >mpost -s ahangle=0 -s ahlength=2 FILENAME (molecular definition file) + >mpost -s ahlength=2 -s bboxmargin=0 FILENAME \end{verbatim} \paragraph{(Output)} \begin{verbatim} @@ -1492,14 +1493,14 @@ cFM : molecular formula calculated \subsection{MOL file output} \paragraph{(Insert option parameter setting)} \begin{verbatim} - sw_mol_out:=1; (V2000) - sw_mol_out:=2; (V3000) + sw_mol_out:=1; % MOL(V2000) + sw_mol_out:=2; % MOL(V3000) ** default : sw_mol_out=0 \end{verbatim} \paragraph{(Command line)} \begin{verbatim} - >mpost -s ahangle=3 FILENAME (molecular definition file) V2000 - >mpost -s ahangle=4 FILENAME (molecular definition file) V3000 + >mpost -s ahlength=5 -s bboxmargin=0 FILENAME % MOL(V2000) + >mpost -s ahlength=6 -s bboxmargin=0 FILENAME % MOL(V3000) \end{verbatim} \paragraph{(Output)} \begin{verbatim} @@ -1552,7 +1553,7 @@ M END \everymplib{if unknown Ph1: input mcf2graph.mf; mp_log_name:="temp-info.aux"; - sw_auxout:=1; + sw_aux_out:=1; fi}% %-------------------------------------------------------------------- \begin{document} diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf Binary files differindex ede67444775..0920ba4f397 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex index 9d8b2e2c4f4..83777181665 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex @@ -1,7 +1,7 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2018.06.18 +% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2018.11.11 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -%%% mcf2graph.mf it must be version 4.33 or later +%%% mcf2graph.mf it must be version 4.34 or later \documentclass{article} %------------------------------------------------------------------------------ \usepackage{luamplib}% diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf index e2f44387b1d..3e9507270bc 100644 --- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf +++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% mcf2graph ver 4.33 Copyright (c) 2013-2018 Akira Yamaji +% mcf2graph ver 4.34 Copyright (c) 2013-2018 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, @@ -22,17 +22,20 @@ % This package is located at : http://www.ctan.org/pkg/mcf2graph % Suggestion or request mail to : mcf2graph@gmail.com %---------------------------------------------------------------------------------------------- -% Set output no image file : mpost -s ahangle=0 FILENAME -% Set outputformat to "png" : mpost -s ahangle=1 FILENAME -% Set outputformat to "svg" : mpost -s ahangle=2 FILENAME -% Set outputformat to MOL(V2000) : mpost -s ahangle=3 FILENAME -% Set outputformat to MOL(V3000) : mpost -s ahangle=4 FILENAME -% Set make first font only : mpost -s ahlength=1 FILENAME -% Set output report : mpost -s ahlength=2 FILENAME -% Set to use plain.mp label,arrow : mpost -s ahlength=3 FILENAME +% Set output no image file : mpost -s bboxmargin=0 FILENAME +% Set output first font only : mpost -s bboxmargin=1 FILENAME +% Set outputformat to "png" : mpost -s ahangle=1 FILENAME +% Set outputformat to "svg" : mpost -s ahangle=2 FILENAME +% Set outputformat to "eps" : mpost -s ahangle=3 FILENAME +% Set output aux file : mpost -s ahlength=1 FILENAME +% Set output report : mpost -s ahlength=2 FILENAME +% Set output MOL(V2000) : mpost -s ahlength=5 FILENAME +% Set output MOL(V3000) : mpost -s ahlength=6 FILENAME +% Set to use plain.mp label,arrow : mpost -s labeloffset=1 FILENAME +% Set to use plain.mp label,arrow,atom : mpost -s labeloffset=2 FILENAME %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% tracingstats:=1; -message " This is mcf2graph ver 4.3 2018.06"; +message " This is mcf2graph ver 4.3 2018.11"; %------------------------------------------------------------------------------------------------- newinternal nA,nB,nC,nD,nE,nF,char_num,str_cnt,sub_usr,sub_int,tbl_cnt,sharp_char; numeric save_para[],comD[][],parD[][],cntD[],tbl_str_wd[],tbl_atom[],tbl_subst[][],tbl_atom_wt[], @@ -44,7 +47,7 @@ path arrow_path,arrow_head; %------------------------------------------------------------------------------------------------- char_num:=str_cnt:=proc_end:=sw_label_emu:=0; sw_numberA:=sw_numberB:=sw_mol_frame:=sw_aux_out:=sw_solid:=sw_expand:=sw_font_frame:=sw_clip:=0; -sw_atom_frame:=sw_report:=sw_mol_out:=sw_subst_off:=sw_bond_single:=sw_auxfix:=sw_arrow:=0; +sw_atom_frame:=sw_rep_out:=sw_mol_out:=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; aux_delimiter:=";"; var1:="jobname"; tag1:="F"; var2:="char_num"; tag2:="C"; for i=3 upto aux_max: var[i]:=tag[i]:=""; endfor @@ -54,18 +57,30 @@ if (known green)and(known ahlength): color color_list[]; atomfont:=defaultfont:=""; mp_log_name:=jobname&"-info.aux"; - if ahlength=1: proc_end:=1; % first molecular only - elseif ahlength=2: sw_report:=1; def shipit = enddef; % report on - elseif ahlength=3: sw_arrow:=1; defaultfont:="uhvr8r"; % use mp label - elseif ahlength=5: sw_arrow:=1; defaultfont:=atomfont:="uhvr8r"; % use mp atom,label + prologues:=3; + %-- default bboxmargin=2------------------------------------------------------------------ + if bboxmargin=0: def shipit = enddef; % No image file + elseif bboxmargin=1: proc_end:=1; % output first font only fi - if ahangle=0: def shipit = enddef; % No image file - elseif ahangle=1: outputformat:="png"; hppp:=vppp:=0.1; % PNG format - elseif ahangle=2: outputformat:="svg"; prologues:=3; % SVG format - elseif ahangle=3: sw_mol_out:=1; def shipit = enddef; % output MOL V2000 - elseif ahangle=4: sw_mol_out:=2; def shipit = enddef; % output MOL V3000 + %--default ahangle=45--------------------------------------------------------------------- + if ahangle=1: outputformat:="png"; hppp:=vppp:=0.1; % png format + elseif ahangle=2: outputformat:="svg"; % svg format + elseif ahangle=3: outputformat:="eps"; % eps format(.eps) + fi + %--default ahlength=4--------------------------------------------------------------------- + if ahlength=1: sw_aux_out:=1; % output aux + elseif ahlength=2: sw_rep_out:=1; % output report + elseif ahlength=5: sw_mol_out:=1; % output MOL V2000 + elseif ahlength=6: sw_mol_out:=2; % output MOL V3000 + fi + %--default labeloffset=3------------------------------------------------------------------ + if labeloffset=1: sw_arrow:=1; defaultfont:="uhvr8r"; % plain.mp label + elseif labeloffset=2: sw_arrow:=1; defaultfont:=atomfont:="uhvr8r"; % plain.mp label,atom + fi + %----------------------------------------------------------------------------------------- + if (outputformat="eps")and(ahangle<>3): outputtemplate:="%j-%3c."&"mps"; + else: outputtemplate:="%j-%3c."&outputformat; fi - outputtemplate:="%j-%3c."&outputformat; def beginchar(expr a,b,c,d)= beginfig(a) w:=b*pt; h:=c*pt; enddef; def endchar = endfig enddef; def printf expr s= write s to mp_log_name enddef; @@ -80,7 +95,6 @@ else: f_MP:=0; def color = transform enddef; def printf expr s= message s enddef; sw_arrow:=0; - dotlabeldiam:=3bp; %----------------------------------------------------------------------- atomfont:="draw"; defaultfont:="draw"; @@ -104,6 +118,7 @@ font_wd:=30mm; font_ht:=20mm; %================================================================================================== ahangle:=45; ahlength:=4bp; +bboxmargin:=2bp; defaultsize:=8bp; atomfontsize:=8bp; defaultscale:=1; @@ -123,7 +138,7 @@ def_com(-4000)(_term,_jp_atom,_jp_atom_abs,_jp_bond,_cyc,_cyc_sB,_cyc_eB,_set_li def_com(1)(si,dl,dr,db,dm,tm,wf,wb,bd,bz,zf,zb,dt,wv,nl,vf,vb,si_,wf_,wb_,bd_); %-------------------------------------------------------------------------------------------------- def parameter_list= - sw_report,sw_numberA,sw_numberB,sw_mol_frame,sw_aux_out,sw_solid,sw_expand,sw_mol_out, + sw_rep_out,sw_numberA,sw_numberB,sw_mol_frame,sw_aux_out,sw_solid,sw_expand,sw_mol_out, 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_thickness_char, @@ -563,7 +578,7 @@ def MCd(expr RW,RH)(expr FW,FH)(text TX)= addto mol_stru[cntM] also currentpicture; clearit; endgroup; - if ((sw_aux_out=1)or(sw_report=1)or(sw_mol_out>=1))and(f_MP=1): proc_calc_out; fi + if ((sw_aux_out=1)or(sw_rep_out=1)or(sw_mol_out>=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); @@ -1313,7 +1328,7 @@ def proc_calc_out= cal_MI:=substring (0,10) of decimal(MI_num); cal_MW:=substring (0,8) of decimal(MW_num); if sw_aux_out=1: proc_auxfile_out; fi - if sw_report=1: proc_report_out; fi + if sw_rep_out=1: proc_report_out; fi if sw_mol_out>=1: proc_mol_out; fi endgroup enddef; |