diff options
Diffstat (limited to 'Master/texmf-dist/doc/metapost')
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG | 8 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/README | 7 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf | 13 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf | bin | 282495 -> 282475 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex | 7 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf | 53 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf | bin | 594168 -> 594219 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex | 24 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf | bin | 172091 -> 172190 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex | 5 |
10 files changed, 58 insertions, 59 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG index fa35cf4dd94..36a80e4aede 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG +++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG @@ -1,6 +1,12 @@ ******************************************************************************* - Changelog of mcf2graph software package by Akira Yamaji 2019-07-07 + Changelog of mcf2graph software package by Akira Yamaji 2019-10-05 ******************************************************************************* +[ver. 4.45 / 2019-10-05] + -improve function ext() + -delete option parameter sw_auxfix + sw_auxfix=1 => sw_aux_out=2 + -update MCF manual,example + [ver. 4.44 / 2019-07-07] -improve to ignore unknown command diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README index 879a75196ab..d9538548e2b 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 : 4.44 2019-07-07 + version : 4.45 2019-10-05 E-mail : mcf2graph@gmail.com Located at : http://www.ctan.org/pkg/mcf2graph ******************************************************************************** @@ -37,8 +37,9 @@ ( 4) >mpost -s ahangle=1 FILENAME => output png file ( 5) >mpost -s ahangle=2 FILENAME => output svg file ( 6) >mpost -s ahangle=3 FILENAME => output eps file (.eps) - ( 7) >mpost -s ahlength=1 FILENAME => output aux file - ( 8) >mpost -s ahlength=2 FILENAME => output report file + ( 7) >mpost -s ahlength=1 FILENAME => output aux file (tag1:var1;tag2:var2;) + ( 7) >mpost -s ahlength=2 FILENAME => output aux file (tag1;tag2; var1;var2;) + ( 8) >mpost -s ahlength=3 FILENAME => output report file ( 9) >mpost -s ahlength=5 FILENAME => output mol file(V2000) (10) >mpost -s ahlength=6 FILENAME => output mol file(V3000) (11) >mpost -s labeloffset=1 FILENAME => use plain.mp 'label','drawarrow' 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 7ade70ca727..99101f031f6 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf @@ -1,12 +1,12 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2019.07.07 +% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2019.10.05 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -input mcf2graph.mf; %%% it must be version 4.44 or later +input mcf2graph.mf; %%% it must be version 4.45 or later %------------------------------------------------------------------------- fsize:=(33mm,24mm); max_blength:=4.5mm; %------------------------------------------------------------------------- -%%%%sw_aux_out:=1; +%%%%sw_aux_out:=1; % or 2 %%%%sw_fframe:=1; %%%%sw_aframe:=1; %%%%sw_mframe:=1; @@ -14,7 +14,6 @@ max_blength:=4.5mm; var3:="cal_FM"; tag3:="cFM"; var4:="cal_MW"; tag4:="cMW"; %%%% outputtemplate:="%3c-%j.png"; -%%%% sw_auxfix:=1; %%%% var3:="mol_wd"; tag3:="mWD"; %%%% var4:="mol_ht"; tag4:="mHT"; %%%% var5:="cal_MW"; tag5:="cMW"; @@ -22,13 +21,17 @@ var4:="cal_MW"; tag4:="cMW"; %%%% var7:="cal_FM"; tag7:="cFM"; %%%% var8:="inf_USE"; tag8:="USE"; %%%% var9:="inf_EXA"; tag9:="EXA"; -%%%% auxtag_out; %%%% sw_rep_out:=1; %%%% sw_mol_out:=1; %%%% atomfont:="uhvb8r"; %%%% atomfont:="cmtt8"; %%%% atomfont:="cmvtt10"; %%%% outputformat:="png"; hppp:=vppp:=0.1; outputtemplate:="%j-%3c.png"; +%--------------------------------------------------------------------------- +%%%% ext(nA:=10mm; pickup pencircle scaled 0.1pt; +%%%% draw(0,0)--(w,0)--(w,h)--(0,h)--cycle; +%%%% for i=nA step nA until w: draw(i,0)--(i,h); endfor +%%%% for i=nA step nA until h: draw(0,i)--(w,i); endfor ); %*************************************************************************** beginfont("EN:Acetamiprid","MW:222.676","FM:C10H11ClN4") MC(<30,Ph,2:N,1:/Cl,4:\,!,N,/_,!,/_,!!,N,!,CN) 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 0d9a7977c9c..6963eb33fa9 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 5e26c477d72..41548467ebf 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 2019.05.26 +% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2019.10.05 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage{graphicx} @@ -38,15 +38,16 @@ \def\@fst@param#1:#2;{#1}\def\@sec@param#1:#2;{#2}% \def\@stru#1[#2]{\font\@strufont=#1\relax\hbox{\@strufont\char#2}}% %------------------------------------------------------------------------------- +\font\labelM=cmtt8 at 6pt% \def\put@char{% \unitlength=0.01mm\relax \@tempcnta=3300\relax \@tempcntb=3750\relax% \begin{picture}(\@tempcntb,\@tempcnta)% \advance\@tempcnta -300\relax% \put(20,\@tempcnta){\footnotesize\bf [\the\fontnum] \MOLnameE}% \advance\@tempcnta -250\relax% - \put(20,\@tempcnta){\tiny\tt MW:\CALmw { / }FM:\CALfm}% + \put(20,\@tempcnta){\labelM MW:\CALmw { / }FM:\CALfm}% \advance\@tempcnta -220\relax% - \put(20,\@tempcnta){\tiny\tt MW:\MOLmw(data)}% + \put(20,\@tempcnta){\labelM MW:\MOLmw(data)}% \put( 0,0){\makebox(\@tempcntb,\@tempcnta){\@stru{\MOLfile}[\MOLchar]}}% \end{picture}% } 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 53e5a5671d7..a64742bb3be 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf @@ -1,7 +1,7 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2019.07.07 +% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2019.10.05 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -input mcf2graph.mf; %% it must be version 4.44 or later +input mcf2graph.mf; %% it must be version 4.45 or later %------------------------------------------------------------------------ sw_mframe:=0; sw_expand:=0; @@ -1005,7 +1005,10 @@ sw_trimming:=1; %*************************************************************************** beginfont("EN:Acetamiprid","MW:222.676") fsize:=(60mm,18mm); - MC(<30,Ph,2:N,1:/Cl,4:\,!,N,/_,!,/_,!!,N,!,CN) + MC( + <30,Ph,2:N,1:/Cl, + 4:\,!,N,/_,!,/_,!!,N,!,CN + ) endfont %*************************************************************************** beginfont("EN:Fenitrothion","MW:277.231") @@ -1097,17 +1100,23 @@ endfont; %*************************************************************************** beginfont("EN:Validamycin") fsize:=(60mm,20mm); - MC(<30,?6,{5,6}:/OH,3:/!OH>rl, - $4:\,O,-60,|,?6,2:O,{3,4,5}:/OH,6:/!OH, - $1:\,NH,!,|,?6,2=dl,{4,5,6}:/OH,3:/!OH) + MC( + <30,?6,{5,6}:/OH,3:/!OH>rl, + $4:\,O,-60,|,?6,2:O,{3,4,5}:/OH,6:/!OH, + $1:\,NH,!,|,?6,2=dl,{4,5,6}:/OH,3:/!OH + ) endfont %*************************************************************************** beginfont("EN:Paclitaxel","CAS:33069-62-4","FM:C47H51NO14","MW:853.91") - MC(?6,5=dl,3:@,|<,``1,36,45,45,45,45,>|, - $5:#,-4=?6,-4=?4,-1=wb,-3=wf,-1:O,||, - {4^35,4^-35,6}:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O, - 1:\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph, - 7:\*,O,-45,//O,60,Ph,11:*\,O,-60,//O,60,12:\*^-15,O,60,//O,-60) + MC( + ?6,5=dl,3:@,|<,``1,36,45,45,45,45,>|, + $5:#,-4=?6,-4=?4,-1=wb,-3=wf,-1:O,||, + {4^35,4^-35,6}:/_,{3^-60,15}:*/OH,8:/*H^-60, + 9:*/_^60,10://O, + 1:\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph, + 7:\*,O,-45,//O,60,Ph,11:*\,O,-60,//O,60, + 12:\*^-15,O,60,//O,-60 + ) endfont %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% beginfont("EN:Ampicillin","MW:349.405") @@ -1120,23 +1129,11 @@ endfont beginfont("EN:Cholesterol","CAS:57-88-5","FM:C27H46O","MW:386.65") fsize:=(60mm,15mm); MC( - <30,?6,{-4,-2}=?6,-4=?5,7=dl, - 1:*/OH,{4,12}:*/_^60,9:*/H^60, - 10:/*H^180,11:/*H^-60,17:/*H^-54, - -1:@,18,/*_,-60,!3,/_,!, - ) -endfont -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -bye -?6,{-4,-2}=?6,-4=?5,7=dl, - 1:*/OH,{4,12}:*/_^60,9:*/H^60, - 10:/*H^180,11:/*H^-60,17:/*H^-54, - -1:@,18,/*_,-60,!3,/_,!, - ) + <30,?6,{-4,-2}=?6,-4=?5,7=dl, + 1:*/OH,{4,12}:*/_^60,9:*/H^60, + 10:/*H^180,11:/*H^-60,17:/*H^-54, + -1:@,18,/*_,-60,!3,/_,! + ) endfont %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% bye -%%%%% -bye - -bye 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 b76b2dc02aa..26d32a85475 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 71ca0286fd0..272451b4dc6 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 2019.07.07 +% Molecular Coding Format manual by Akira Yamaji 2019.10.05 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} %%%%\documentclass[a4paper,twoside]{article} @@ -1367,14 +1367,6 @@ beginfont("NO:4","EN:beta-carotene) > begin font(information) |,?6,6=dl,{6,2^35,2^-35}:/_) > end MCF endfont > end font %------------------------------------------------------------------------ -beginfont("NO:5","EN:Gibberellin A3"); > begin font(information) - MC(<18,?5,3=?7,5=?6[12], > begin MCF (5) - 8:@,160`1.3,3:#,13=dl,6=wf,8=wb, > - 5:@,40~zf`1,O,60,//O^180,14~zb:#, > - 2:/COOH,7://_,13:*/OH,8:/*OH, > - 14:*/_,{1^60,4^60}:*/H) > end MCF -endfont; > end font -%------------------------------------------------------------------------ bye \end{verbatim} %------------------------------------------------------------------------ @@ -1383,12 +1375,14 @@ bye \subsection{Information auxfile output} \paragraph{(Insert option parameter setting)} \begin{verbatim} - sw_aux_out:=1; + sw_aux_out=1 : tag1:var1;tag2:var2 + sw_aux_out=2 : tag1;tag2 var1;var2 ** default : sw_aux_out=0 \end{verbatim} \paragraph{(Command line)} \begin{verbatim} - >mpost -s ahlength=1 FILENAME + >mpost -s ahlength=1 FILENAME (sw_aux_out=1) + >mpost -s ahlength=2 FILENAME (sw_aux_out=2) \end{verbatim} \paragraph{(Sourse)} \begin{verbatim} @@ -1396,7 +1390,6 @@ beginfont("EN:Ampicillin")(....) beginfont("EN:Cholesterol")(....) beginfont("EN:Limonin")(....) beginfont("EN:beta-Carotene")(....) -beginfont("EN:Gibberellin A3")(....) \end{verbatim} \paragraph{(Setting)} \begin{verbatim} @@ -1407,27 +1400,24 @@ tag4:="cFM"; var4:="calc_formula"; \end{verbatim} \paragraph{(Output)} \begin{verbatim} -(sw_auxfix=0) +(sw_aux_out=1) F:mcf_man_soc;C:1;cMW:349.40462;cFM:C16H19N3O4S;EN:Ampicillin F:mcf_man_soc;C:2;cMW:386.6532;cFM:C27H46O;EN:Cholesterol F:mcf_exa_soc;C:3;cMW:470.5113;cFM:C26H30O8;EN:Limonin F:mcf_exa_soc;C:4;cMW:536.8722;cFM:C40H56;EN:beta-Carotene -F:mcf_exa_soc;C:5;cMW:346.3742;cFM:C19H22O6;EN:Gibberellin A3 -(sw_auxfix=1) +(sw_aux_out=2) F;C;cMW;cFM;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 -mcf_exa_soc;5;346.3742;C19H22O6;Gibberellin A3 (aux_delimiter:="/";) F:mcf_man_soc/C:1/cMW:349.40462/cFM:C16H19N3O4S/EN:Ampicillin F:mcf_man_soc/C:2/cMW:386.6532/cFM:C27H46O/EN:Cholesterol F:mcf_exa_soc/C:3/cMW:470.5113/cFM:C26H30O8/EN:Limonin F:mcf_exa_soc/C:4/cMW:536.8722/cFM:C40H56/EN:beta-Carotene -F:mcf_exa_soc/C:5/cMW:346.3742/cFM:C19H22O6/EN:Gibberellin A3 \end{verbatim} \paragraph{(Tag)} \begin{verbatim} 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 cf946f3f498..0ad6c716f0f 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 b71e80a2f7b..ac29ba5441d 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 2019.07.07 +% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2019.10.05 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -%%% mcf2graph.mf it must be version 4.44 or later +%%% mcf2graph.mf it must be version 4.45 or later \documentclass{article} %------------------------------------------------------------------------------ \usepackage{luamplib}% @@ -38,6 +38,7 @@ {{\tt FM(C) :} molecular formula calculated by mcf2graph\\ {{\tt MW(C) :} molecular weight calculated by mcf2graph\\ {{\tt MW(D) :} molecular weight from literature data\vspace{5mm}\\ +%------------------------------------------------------------------------------------ \begin{mplibcode} fsize:=(80mm,40mm); beginfont("NO:1","EN:Chlorophyll a","MW:893.49") |