diff options
Diffstat (limited to 'Master/texmf-dist/doc/metapost')
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG | 6 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/README | 2 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf | 3 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf | bin | 247916 -> 247652 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex | 26 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf | 20 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf | bin | 419062 -> 418934 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex | 62 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf | bin | 123296 -> 123456 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex | 7 |
10 files changed, 70 insertions, 56 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG index 1e7f54b543e..62fbf8693c7 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 2016-04-01 + Changelog of mcf2graph software package by Akira Yamaji 2016-04-04 ******************************************************************************* +[ver. 3.87 / 2016-04-04] + -change aux infomation separater(, => ;) + a lot of molecular name include ',' + [ver. 3.86 / 2016-04-02] -change aux output format(command => csv) -update MCF syntax manual diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README index a7f1cd5c91a..bdb53ee5e24 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 : 3.86 2016-04-02 + version : 3.87 2016-04-04 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 697bc56d1fc..387d6e15386 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf @@ -10,7 +10,6 @@ max_bond_width:=0.15; sw_auxout:=1; sw_frame:=0; sw_atom_frame:=0; -sw_numberB:=0; sw_expand:=0; sw_start_vector:=0; %%%% var3:="len_x"; tag3:="Lx"; @@ -321,7 +320,7 @@ beginfont("EN:Baicalein"); endfont; %*************************************************************************** beginfont("EN:Reserpine"); - MCf(<30,Ph,-4=?5,-2=?6,-4=?6,-3=?6,9=dl,11:N,7:NH,10:*/H^-60, + MCf(<54,Ph,-4=?5,-2=?6,-4=?6,-3=?6,9=dl,11:N,7:NH,10:*/H^-60, @(15^-60,16^60)/*H, #20*\,O,!,//O,!,|,Ph,@(-2,-3,-4)/OMe,@(#1,#19~zf>rl)/OMe, #18*\,//O,!,O,!) 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 3a9d85158c6..be012b753a0 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 9752ba06246..d4344c996ab 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 2016.4.2 +% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2016.4.4 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage{graphicx} @@ -48,13 +48,23 @@ \advance\fontnum\@ne\relax\advance\tnum\@ne\relax% \ifnum\tnum=5 \\ \tnum=0\relax \fi% } -%------------------------------------------------------------------------------- -\def\inputINFO#1{% -\openin\@auxf=#1% -\CONT@true% +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +% copied from ltcntrl.dtx [2014/04/21 v1.0h LaTeX Kernel (program control)] +% modify @for (separater=",") to @for@semi (separater=";") +%-------------------------------------------------------------------------------- +\def\@for@semi#1:=#2\do#3{\expandafter\def\expandafter\@for@tmp\expandafter{#2}% + \ifx\@for@tmp\@empty \else \expandafter\@for@loop#2;\@nil;\@nil\@@#1{#3}\fi}% +\def\@for@loop#1;#2;#3\@@#4#5{\def#4{#1}\ifx #4\@nnil \else% + #5\def#4{#2}\ifx #4\@nnil \else#5\@ifor@loop #3\@@#4{#5}\fi\fi}% +\def\@ifor@loop#1;#2\@@#3#4{\def#3{#1}\ifx #3\@nnil% + \expandafter\@for@noop \else #4\relax\expandafter\@ifor@loop\fi#2\@@#3{#4}}% +\def\@for@noop#1\@@#2#3{}% +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +\def\inputINFOS#1{\openin\@auxf=#1\CONT@true% \loop -\read\@auxf to \tempinfo% -\ifeof\@auxf\CONT@false\else\@for\@temp:=\tempinfo\do{\mol@sel\@temp}% +\read\@auxf to \temp@info% +\ifeof\@auxf\CONT@false\else% +\@for@semi\@temp:=\temp@info\do{\mol@sel\@temp}% \put@char\fi% \ifCONT@ \repeat \closein\@auxf}% @@ -70,7 +80,7 @@ \fontnum=1% \noindent% %------------------------------------------------------------------------ -\inputINFO{mcf_exa_soc-info.aux}% +\inputINFOS{mcf_exa_soc-info.aux}% %------------------------------------------------------------------------ \end{document} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 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 6fc91555202..fe96aa8e873 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2016.04.2 +% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2016.04.4 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% input mcf2graph.mf; %------------------------------------------------------------------------ @@ -519,9 +519,14 @@ MCf(<30,?6,-4=?5,$(3,8)dl,@(2,6,7,9)N,@(2,6,9)/Me,@(1,5)//O) endfont %*********************************************************************** %% Output additional infomation -beginfont("EN:Caffeine","CAS:58-08-2") +beginfont("EN:Tocopherol","CAS:59-02-9") sw_logout:=1; -MCf(<30,?6,-4=?5,$(3,8)dl,@(2,6,7,9)N,@(2,6,9)/Me,@(1,5)//O) +MCf(<30,Ph,3=?6,7:O,@(1,2,5)/Me,8:/*Me^60,6:/OH,8\,|,!12,@(4,8)/*Me,12:/Me) +endfont +%*********************************************************************** +%% Change infomation separater +beginfont("EN:Warfarin","CAS:81-81-2") +MCf(<30,Ph,3=?6,10:O,7:/OH,9://O,8\,/Ph`1,60,!,//O,!) endfont %*********************************************************************** beginfont("EN:Ampicillin") @@ -540,13 +545,6 @@ beginfont("EN:Cholesterol") -1\^17,/*Me,!4,/Me,!, ) endfont -%*********************************************************************** -beginfont("EN:alfa-Tocopherol") - MCf(<30, - Ph,3=?6,7:O,@(1,2,5)/Me,8:/*Me^60,6:/OH, - 8\,|,!12,@(4,8)/*Me,12:/Me - ) -endfont %*************************************************************************** beginfont("EN:Colchicine") MCf(<30,Ph,@(1,2,6)/OMe,|,-4=?7, @@ -593,5 +591,3 @@ beginfont("EN:Paclitaxel") endfont %*********************************************************************** 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 79712057dba..7a6ac9c106d 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 8ae0ac72530..acc54e69e88 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 2016.04.2 +% Molecular Coding Format manual by Akira Yamaji 2016.04.4 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage[dvipdfmx]{graphicx} @@ -113,13 +113,13 @@ bye \frame{\makebox(100,44){\@strufont\char0}}\vspace{6mm}\\ %---------------------------------------------------------------------------- \noindent% -{\bf (Molecular information output)} +{\bf (Molecular information output)}\\ +'filename'-info.aux : for use in \TeX, it takes over filename, +char number, molecular information,etc. \begin{verbatim} -F:mcf_man_soc ,C:0 ,MWc:893.48962 ,FMc:C55H72MgN4O5 - ,NO:1 ,EN:Chlorophyll a ,MW:893.49 +F:mcf_man_soc;C:0;MWc:893.48962;FMc:C55H72MgN4O5;NO:1;EN:Chlorophyll a;MW:893.49 \end{verbatim} -'filename'-info.aux : for use in \TeX, it takes over filename, -char number, molecular information,etc.\\ +( tag : variable )\\ F:filename C:char number,MWc:molecular weight calculated, FMc:molecular formula calculated\\ NO:serial number, EN:english name, @@ -1150,7 +1150,8 @@ beginfont() MCd(1,.4)( 1,.5)(Ph) endfont var3:="calc_weight"; tag3:="MWc"; var4:="calc_formula"; tag4:="FMc"; %% Output to mcf_man_soc-info.aux %% -F:mcf_man_soc,C:82,MWc:194.19174,FMc:C8H10N4O2 +F:mcf_man_soc;C:85;MWc:194.19174;FMc:C8H10N4O2 + MWc:calculated molecular weight FMc:calculated molecular formula \end{verbatim} @@ -1161,10 +1162,11 @@ FMc:calculated molecular formula \begin{minipage}[t][37mm]{90mm} \MCFtitle{Output additional information} \begin{verbatim} -beginfont("EN:Caffeine","CAS:58-08-2") +beginfont("EN:Tocopherol","CAS:59-02-9") MCf(...) endfont %% Output to mcf_man_soc-info.aux %% -F:mcf_man_soc ,C:83 ,EN:Caffeine ,CAS:58-08-2 +F:mcf_man_soc;C:86;EN:Tocopherol;CAS:59-02-9 + *F:filename *C:char number EN:molecular name CAS:CAS number *:default output \end{verbatim} @@ -1173,6 +1175,22 @@ CAS:CAS number *:default output \vspace{5mm}\\ %----------------------------------------------------------------------------- \begin{minipage}[t][37mm]{90mm} +\MCFtitle{Change aux information separater} +\begin{verbatim} +aux_separater:="/"; +beginfont("EN:Warfarin","CAS:81-81-2") +MCf(...) endfont +%% Output to mcf_man_soc-info.aux %% +F:mcf_man_soc/C:87/EN:Warfarin/CAS:81-81-2 + +**default aux_separater=";" + +\end{verbatim} +\end{minipage} +\MCFstructure +\vspace{5mm}\\ +%----------------------------------------------------------------------------- +\begin{minipage}[t][37mm]{90mm} \MCFtitle{Example(1) Ampicillin} \begin{verbatim} @@ -1199,19 +1217,7 @@ CAS:CAS number *:default output \vspace{5mm}\\ %----------------------------------------------------------------------------- \begin{minipage}[t][37mm]{90mm} -\MCFtitle{Example(3) alfa-Tocopherol} -\begin{verbatim} - - <30,Ph,3=?6, - 7:O,@(1,2,5)/Me,8:/*Me^60,6:/OH, - 8\,|,!12,@(4,8)/*Me,12:/Me -\end{verbatim} -\end{minipage} -\MCFstructure -\vspace{5mm}\\ -%----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} -\MCFtitle{Example(4) Colchicine} +\MCFtitle{Example(3) Colchicine} \begin{verbatim} <30,Ph,@(1,2,6)/OMe,|,-4=?7, |,-5=?7,$(-1,-4,-6)dl,-2://O,-3:/OMe, @@ -1222,7 +1228,7 @@ CAS:CAS number *:default output \vspace{5mm}\\ %----------------------------------------------------------------------------- \begin{minipage}[t][37mm]{90mm} -\MCFtitle{Example(5) Lycorine} +\MCFtitle{Example(4) Lycorine} \begin{verbatim} <30,Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3], @@ -1234,7 +1240,7 @@ CAS:CAS number *:default output \vspace{5mm}\\ %----------------------------------------------------------------------------- \begin{minipage}[t][37mm]{90mm} -\MCFtitle{Example(6) Gibberellin} +\MCFtitle{Example(5) 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, @@ -1247,7 +1253,7 @@ CAS:CAS number *:default output \vspace{5mm}\\ %----------------------------------------------------------------------------- \begin{minipage}[t][37mm]{90mm} -\MCFtitle{Example(7) Capsaicin} +\MCFtitle{Example(6) Capsaicin} \begin{verbatim} <30,Ph, 1:/OH,6:/OMe,4\,!,NH,!,//O, @@ -1258,7 +1264,7 @@ CAS:CAS number *:default output \vspace{5mm}\\ %----------------------------------------------------------------------------- \begin{minipage}[t][37mm]{90mm} -\MCFtitle{Example(8) Quinine} +\MCFtitle{Example(7) Quinine} \begin{verbatim} <30,Ph,3=Ph,7:N,6:/OMe, 10\,*/OH,/H~zf^-60,!, @@ -1271,7 +1277,7 @@ CAS:CAS number *:default output \vspace{5mm}\\ %----------------------------------------------------------------------------- \begin{minipage}[t][37mm]{90mm} -\MCFtitle{Example(9) Atoropin} +\MCFtitle{Example(8) Atoropin} \begin{verbatim} <-30,O,!,//O,!,!,Ph, #1\~zb^-120, @@ -1283,7 +1289,7 @@ CAS:CAS number *:default output \vspace{5mm}\\ %----------------------------------------------------------------------------- \begin{minipage}[t][37mm]{90mm} -\MCFtitle{Example(10) Paclitaxel} +\MCFtitle{Example(9) 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 Binary files differindex a8933bdcbd7..45b22998aab 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 3309cb5bf90..c77bd1c2416 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2016.4.2 +% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2016.4.4 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass{article} %------------------------------------------------------------------------------ @@ -10,6 +10,7 @@ input mcf2graph.mf; mp_log_name:="temp-info.aux"; sw_auxout:=1; + aux_separater:=","; var3:="len_x"; tag3:="Lx"; var4:="calc_weight"; tag4:="MWc"; var5:="calc_formula"; tag5:="FMc"; @@ -39,9 +40,7 @@ \def\@MW{MW}\def\@MWc{MWc}\def\@FM{FM}\def\@FMc{FMc}\def\@Lx{Lx}\def\@Ly{Ly}% \def\@NO{NO}\def\@USE@{USE}\def\@logP@{logP}\def\@EXA@{EXA}\def\@EXB@{EXB}% %------------------------------------------------------------------------------- -\def\inputINFO#1{% -\openin\@auxf=#1% -\CONT@true% +\def\inputINFO#1{\openin\@auxf=#1\CONT@true% \loop \read\@auxf to \tempinfo% \ifeof\@auxf\CONT@false\else \@for\@temp:=\tempinfo\do{\mol@sel\@temp} \fi% |