From 9e59fe5cbd2d8d2eb3abb95254ead13c5334bad2 Mon Sep 17 00:00:00 2001 From: Karl Berry Date: Sat, 11 Jun 2016 23:05:59 +0000 Subject: mcf2graph (11jun16) git-svn-id: svn://tug.org/texlive/trunk@41368 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_exa_soc.mf | 2 +- .../doc/metapost/mcf2graph/mcf_example.pdf | Bin 247968 -> 247636 bytes .../doc/metapost/mcf2graph/mcf_example.tex | 2 +- .../doc/metapost/mcf2graph/mcf_man_soc.mf | 30 +++-- .../doc/metapost/mcf2graph/mcf_manual.pdf | Bin 433021 -> 426995 bytes .../doc/metapost/mcf2graph/mcf_manual.tex | 137 +++++++++++---------- .../doc/metapost/mcf2graph/mcf_mplib_exa.pdf | Bin 123911 -> 123318 bytes 9 files changed, 98 insertions(+), 81 deletions(-) (limited to 'Master/texmf-dist/doc/metapost') diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG index 622e67bbbd7..5586ae2bc29 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 2016-05-05 + Changelog of mcf2graph software package by Akira Yamaji 2016-06-11 ******************************************************************************* +[ver. 3.93 / 2016-06-11] + -improve font frame + -update MCF syntax manual + [ver. 3.92 / 2016-05-05] -Miner update -update MCF syntax manual diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README index 11b882c6bb8..92cf4e33a79 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 : 3.92 2016-05-05 + version : 3.93 2016-06-11 E-mail : mcf2graph@gmail.com Located at : http://www.ctan.org/pkg/mcf2graph ******************************************************************************** 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 74092f1aaac..37cd29c3e08 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2016.04.28 +% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2016.04.28 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% input mcf2graph.mf; %------------------------------------------------------------------------- diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf index 53f0ecd4cba..7b98250d82a 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_example.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex index 9a17eac7008..5ebaf163b5c 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 2016.4.28 +% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2016.4.28 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage{graphicx} 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 f9bc1784425..7669ddb210e 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf @@ -14,13 +14,13 @@ sw_start_vector:=0; %%%%%sw_checklist:=1; %*********************************************************************** beginfont("NO:1","EN:Chlorophyll a","MW:893.49","FM:C55H72MgN4O5") - font_wd#:=100mm#; - font_ht#:=35mm#; + font_wd#:=80mm#; + font_ht#:=30mm#; 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,, - -1*,24,/*COOMe^15,72,//O,,}, + {,``1,?5,3\,54,?5,-2\,54,?5,-2\,54,,?5,-2\,&5, + -1*,24,/*COOMe^15,72,//O,&1,}, 4\`1.48,Mg,&17,-1*,&11~vb,-1*,&23~vb, + $(2,5,7,9,11,14,16,20,26,27)dl,@(4,11,17,23)N, @(2,9,15,20~zf)/Me,8:/Et,14\,!~dr, 21*,-6~wf,!2,//O,!,O,!2,!~dl,|,!13,@(1,5,9,13)/Me, ) @@ -28,16 +28,22 @@ endfont %*********************************************************************** beginfont("EN:Chain 1") sw_numberB:=1; + numberB_end:=6; max_bond_width:=0.20; ratio_chain_ring:=1; - MCf(<30,-60,60,-90,120,-90,60) + MCf(<30,-60,60,-90,120,-90,60, + @(1^-60,2^60,3^-45,4^30,5^-45,6^60)/Me~dt`.6 + ) endfont %*********************************************************************** beginfont("EN:Chain 2") sw_numberB:=1; + numberB_end:=6; max_bond_width:=0.20; ratio_chain_ring:=1; - MCf(<30,!6) + MCf(<30,!6, + @(1^-60,2^60,3^-60,4^60,5^-60,6^60)/Me~dt`.6 + ) endfont %*********************************************************************** beginfont("EN:Jump and Branch") @@ -92,14 +98,14 @@ beginfont("EN:change bond length2") MCf(<30,!2,``1.2,!4) endfont %*********************************************************************** -beginfont("EN:change bond length3") +beginfont("EN:change ring length") sw_start_vector:=1; - MCf(<30,?6,3\,?6`1.2,11=?6) + MCf(?6,4\,?6`1.2,5=?6,11=?6) endfont %*********************************************************************** beginfont("EN:change atom 1") sw_start_vector:=1; - MCf(<30,!2,O,!2) + MCf(<30,!2,O,!2,N,!2) endfont %*********************************************************************** beginfont("EN:change atom 2") @@ -434,7 +440,9 @@ beginfont("EN:Switwch start vector") endfont %*********************************************************************** beginfont("EN:Switwch font frame") - sw_font_frame:=1; + margin_left_right:=5mm; + margin_top_bottom:=2mm; + sw_font_frame:=3; MCf(<30,Ph,4:/Cl,3:/F) endfont %*********************************************************************** diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf index 83e900a626c..a15a1d5888b 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 eee609e165e..bea273959d1 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 2016.05.05 +% Molecular Coding Format manual by Akira Yamaji 2016.06.11 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage[dvipdfmx]{graphicx} @@ -29,10 +29,11 @@ \rlap{\makebox(72,4)[t]{\makebox(68,48){\@strufont\char\fontnum}}}% \advance\fontnum\@ne\relax}% \def\MCFstructure{% - \makebox(72,4)[t]{\frame{\makebox(68,48){\@strufont\char\fontnum}}}% + \makebox(72,4)[t]{\frame{\ + \makebox(68,48){\@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\@F{F}\def\@C{C}\def\@EN{EN}\def\@NO{NO}\def\@cMW{cMW}\def\@cFM{cFM}% \def\@fst#1:#2;{#1}\def\@sec#1:#2;{#2}% \def\mol@sel#1{% \if#1\empty\relax\else% @@ -42,15 +43,15 @@ \ifx\@tag\@C\edef\MOLchar{\@var}\fi% \ifx\@tag\@EN\edef\MOLnameE{\@var}\fi% \ifx\@tag\@NO\edef\MOLnum{\@var}\fi - \ifx\@tag\@MW\edef\MOLmw{\@var}\fi + \ifx\@tag\@cMW\edef\CALmw{\@var}\fi \ifx\@tag\@cFM\edef\CALfm{\@var}\fi \fi}% \def\put@char{% - \begin{picture}(120,40)% - \put(10,35){\bf [\MOLnum] \MOLnameE}% - \put(16,30){\tt MW:\MOLmw}% - \put(16,25){\tt FM:\CALfm}% - \put(0,0){\font\@strufont=\MOLfile\relax% + \begin{picture}(120,42)% + \put(0,35){\bf [\MOLnum] \MOLnameE}% + \put(6,30){\tt MW:\CALmw}% + \put(6,25){\tt FM:\CALfm}% + \put(40,0){\font\@strufont=\MOLfile\relax% \hbox{\@strufont\char\MOLchar}}% \end{picture}% } @@ -88,55 +89,47 @@ 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) - sw_font_frame:=1; % font frame on > - font_wd#:=120mm#; % font width set > Local setting - font_ht#:=80mm#; % font height set > - %----------------------------------------------------------------------- - MCf( % begin MCF - <54,{,``1,?5,$(2,5)d,4:N,3\,54~dl, % - |,?5,$(2,4)d,5:N, % - -2\,54~dl,|,?5,2=d,5:N,-2\~dl,54, % - |,?5,5=d,5:N,-2\~dl,, % - -1*,24,/*COOMe^15,72,//O,,}, % - 4\`1.48,Mg,&17,-1*,&11~vb,-1*,&23~vb, % - @(2,9,15,20~zf)/Me,8:/Et,14\,!~dr, % - 21*,-6~wf,!2,//O,!,O,!2,!~dl, % - |,!13,@(1,5,9,13)/Me, % - ) % end MCF -endfont % end font +beginfont("NO:1","EN:Ampicillin") > begin font(information) + MCf(<45,?4,2:N,2=?5,-1:S, > begin MCF (1) + @(3^45,4^-45)/*H,1://O^15,5:/*COOH^-18, > + @(6^35,6^-35)/Me, > + 4\^75,NH,!,//O,!,NH,!,Ph) > end MCF +endfont > end font +%------------------------------------------------------------------------ +beginfont("NO:2","EN:Cholesterol") > begin font(information) + MCf(<30,?6,$(-4,-2)?6,-4=?5,7=dl, > begin MCF (2) + 1:*/OH,@(4,12)*/Me^60,9:*/H^60, > + 10:/*H^180,@(11,-1)/*H^-60, > + -1\^17,/*Me,!4,/Me,!) > end MCF +endfont > end font %------------------------------------------------------------------------ bye \end{verbatim} %---------------------------------------------------------------------------- -{\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 +F:mcf_man_soc;C:85;cMW:335.37805;cFM:C15H17N3O4S;EN:Ampicillin +F:mcf_man_soc;C:86;cMW:386.6532;cFM:C27H46O;EN:Cholesterol + ..................................................... (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, -cFM:molecular formula calculated\\ -NO:serial number, EN:english name, -MW:molecular weight from literature data\vspace{5mm}\\ +F;C;cMW;cFM;EN +mcf_man_soc;85;335.37805;C15H17N3O4S;Ampicillin +mcf_man_soc;86;386.6532;C27H46O;Cholesterol + ...................................... + +( tag : variable ) +F : filename C : char number NO : serial number EN : english name +cMW : molecular weight calculated cFM : molecular formula calculated +MW : molecular weight from literature data +\end{verbatim} %---------------------------------------------------------------------------- {\bf (LaTeX file example)} %############################################################################ @@ -157,15 +150,15 @@ MW:molecular weight from literature data\vspace{5mm}\\ \ifx\@tag\@C\edef\MOLchar{\@var}\fi% \ifx\@tag\@EN\edef\MOLnameE{\@var}\fi% \ifx\@tag\@NO\edef\MOLnum{\@var}\fi - \ifx\@tag\@MW\edef\MOLmw{\@var}\fi + \ifx\@tag\@MW\edef\CALmw{\@var}\fi \ifx\@tag\@FMc\edef\CALfm{\@var}\fi \fi}% \def\put@char{% \begin{picture}(120,45)% \put(10,35){\bf [\MOLnum] \MOLnameE}% - \put(16,30){\sf MW:\MOLmw}% + \put(16,30){\sf MW:\CALmw}% \put(16,25){\sf FM:\CALfm}% - \put(0,0){\font\@strufont=\MOLfile\relax% + \put(20,0){\font\@strufont=\MOLfile\relax% \hbox{\@strufont\char\MOLchar}}% \end{picture}}% \def\INFO#1{\@for\@temp:=#1\do{\mol@sel\@temp}\put@char}% @@ -173,14 +166,15 @@ MW:molecular weight from literature data\vspace{5mm}\\ %-------------------------------------------------------------------- \begin{document} \unitlength=1mm% -\INFO{F:mcf_man_soc ,C:0 ,cMW:893.48962 ,cFM:C55H72MgN4O5% - ,NO:1 ,EN:Chlorophyll a ,MW:893.49}% +\INFO{F:mcf_man_soc,C:85,NO:1,cMW:335.37805,cFM:C15H17N3O4S,EN:Ampicillin}\\% +\INFO{F:mcf_man_soc,C:86,NO:2,cMW:386.6532,cFM:C27H46O,EN:Cholesterol}% \end{document} %-------------------------------------------------------------------- -\end{verbatim}% +\end{verbatim}\vspace{5mm}% %############################################################################ -\INFO{F:mcf_man_soc ,C:0 ,cMW:893.48962 ,cFM:C55H72MgN4O5% - ,NO:1 ,EN:Chlorophyll a ,MW:893.49}% +{\bf (Molecular structure output)}\\ +\INFO{F:mcf_man_soc,C:85,NO:1,cMW:335.37805,cFM:C15H17N3O4S,EN:Ampicillin}\\% +\INFO{F:mcf_man_soc,C:86,NO:2,cMW:386.6532,cFM:C27H46O,EN:Cholesterol}% \newpage %---------------------------------------------------------------------------- \noindent @@ -188,10 +182,10 @@ MW:molecular weight from literature data\vspace{5mm}\\ \begin{minipage}[t][\htman]{90mm} \MCFtitle{Chain(1)} \begin{verbatim} -plus (+): anticlockwize -minus(-): clockwize +real number plus (+): anticlockwize +real number minus(-): clockwize - <30,-60,60,-90,120,-90,60 +<30,-60,60,-90,120,-90,60 \end{verbatim} \end{minipage} @@ -231,9 +225,9 @@ minus(-): clockwize \begin{minipage}[t][\htman]{90mm} \MCFtitle{Connect atom} \begin{verbatim} -&5 : Connect to A5 +&n : Connect to An - <30,!6,3\,!.&5 + <30,!6,3\,!,&5 \end{verbatim} \end{minipage} @@ -273,7 +267,7 @@ a~type : ~~type,a dm:double middle, dl:double left side, dr:double right side, wf:wedge forward, wb:wedge backward, -zf:wedge dotted, zb:wedge dotted backward +zf:wedge dotted, zb:wedge dotted backward <30,!~dm,!~dl,!~dr,!~wf,!~wb,!~zf,!~zb \end{verbatim} @@ -343,7 +337,10 @@ $(2,4)dr : 2=dr,4=dr \begin{verbatim} ?n`length : change ring length - <30,?6,3\,?6`1.2,11=?6 + ?6,4\,?6`1.2,5=?6,11=?6 + +** fused ring size depend on + attached bond length \end{verbatim} \end{minipage} \MCFstructure @@ -354,7 +351,7 @@ $(2,4)dr : 2=dr,4=dr \begin{verbatim} Insert hetero atom - <30,!2,O,!2 + <30,!2,O,!2,N,!2 \end{verbatim} \end{minipage} \MCFstructure @@ -511,7 +508,8 @@ MCf(<30,!8,2\,!,4*\,!,6\*,!,8\\,!) 4\`1.5 : 4*,0`1.5 6\^15 : 6*,0^15 -MCf(<-30,!6,2\~dr,!,4\`1.5,!,6\^15,-60) +MCf(<-30, + !6,2\~dr,!,4\`1.5,!,6\^15,-60) \end{verbatim} \end{minipage} @@ -524,7 +522,8 @@ MCf(<-30,!6,2\~dr,!,4\`1.5,!,6\^15,-60) MCf(<30, !,/Me,!,/Et,!3,/Pr,!,/iPr,!3,/tBu,!,/Ph^-30,!) -** Me:methyl Et:ethyl Pr:propyl iPr:isopropyl +** Me:methyl Et:ethyl + Pr:propyl iPr:isopropyl tBu:tertial buthyl Ph:phenyl \end{verbatim} \end{minipage} @@ -549,8 +548,10 @@ MCf(<30,!,//O,!,/*H,!,*/H,!,/?3,!,**?3,!) \begin{minipage}[t][\htman]{90mm} \MCFtitle{Insert substituent(3)} \begin{verbatim} -~,^,`,> : change type,angle,length,enviroment - of substituent +~ : change type +^ : change angle +` : change length +> : change enviroment MCf(<30,``1, !,/Me~zf`2^30,!,/Me~zf`2^30, @@ -1040,10 +1041,14 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \begin{minipage}[t][\htman]{90mm} \MCFtitle{Switch font frame} \begin{verbatim} - sw_font_frame:=1; - MCf(<30,Ph,4:/Cl,3:/F) +sw_font_frame=0 : no frame **default +sw_font_frame=1 : draw frame of font +sw_font_frame=2 : draw frame inside margin +sw_font_frame=3 : draw both - ** default: sw_font_frame=0 +sw_font_frame:=3; +margin_left_right:=5mm; margin_top_bottom:=2mm; +MCf(<30,Ph,4:/Cl,3:/F) \end{verbatim} \end{minipage} \MCFstructure 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 b3efc121b06..78621de0881 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 -- cgit v1.2.3