diff options
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG | 11 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/README | 2 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf | 14 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf | bin | 236600 -> 235016 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.mf | 26 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf | bin | 475263 -> 474538 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex | 56 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf | bin | 179812 -> 179479 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex | 20 | ||||
| -rw-r--r-- | Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf | 49 |
11 files changed, 99 insertions, 81 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG index 7d6f704d48f..f5a81270fb4 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG +++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG @@ -1,11 +1,18 @@ ******************************************************************************* - Changelog of mcf2graph software package by Akira Yamaji 2017-01-03 + Changelog of mcf2graph software package by Akira Yamaji 2018-04-16 ******************************************************************************* +[ver. 4.31 / 2018-04-16] + -add command */*n , n:*\* , |<=n + */*n : /n~wv + n:*\* : n:\~wv + |<=n : |<,``n + -update MCF manual and examples + [ver. 4.30 / 2018-01-03] -change syntax &n &n => n:& -improve address error detection - -improve exand mode + -improve expand mode -update MCF manual and examples [ver. 4.29 / 2017-10-29] diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README index 993299f8dd4..6cf444033df 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 : 4.30 2018-01-03 + version : 4.31 2018-04-16 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 55d7823f736..5f6a527ede7 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf @@ -1,7 +1,7 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2018.01.03 +% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2018.04.16 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -input mcf2graph.mf; %%% it must be version 4.30 or later +input mcf2graph.mf; %%% it must be version 4.31 or later %------------------------------------------------------------------------- font_wd:=33mm; font_ht:=24mm; @@ -177,7 +177,7 @@ endfont beginfont("EN:Rifampicin","MW:822.94") MCf(<30,Ph,6:/_^30,5:/OH,|,-6=?5,1:O,3://O,2:/*_^60, |,-8=?6,{2,4}=dl,{1,4}:/OH, - |<,``1,-2:\,NH,60,//O,-60,/_,60~dl,60,60~dl,-60, + |<=1,-2:\,NH,60,//O,-60,/_,60~dl,60,60~dl,-60, */_,60,/*OH,-60,/*_,60,/*OH,60,*/_^30,-60, 60,/*_^30,-53,66,-53~dl,66`1.2,O,>|,$8:&, -4:/*O!,-6:@,-30,O,!,//O,!,$11:\,!!,N,!,|,?6,{1,4}:N,4:/_) @@ -211,7 +211,7 @@ beginfont("EN:Luciferin","MW:280.33") endfont %*************************************************************************** beginfont("EN:Chlorophyll a","MW:893.509") -MCf(<54,|<,``1,?5,{2,5}=dl,4:N,3:\,54~dl,|,?5,{2,4}=dl,5:N, +MCf(<54,|<=1,?5,{2,5}=dl,4:N,3:\,54~dl,|,?5,{2,4}=dl,5:N, -2:\,54~dl,|,?5,2=d,5:N,-2:\~dl,54,|,?5,5=d,5:N,-2:\~dl,$5:&, -1:@,24,/*COO!^15,72,//O,$1:&,>|, {2,9,15,20~zf}:/_,8:/!,14:\,!!, @@ -237,7 +237,7 @@ beginfont("EN:Lycorine","MW:287.315") endfont %************************************************************************** beginfont("EN:Tetrodotoxine","MW:319.27") - MCf(|<,``1,<60,-90,60,-30`1.15,150,60,$1:&,$3:@,-135,60,-30`1.15,150,$4:&, + MCf(|<=1,<60,-90,60,-30`1.15,150,60,$1:&,$3:@,-135,60,-30`1.15,150,$4:&, $10:\,O,60`1.33,60,$3~si_:&,$8:@,-15~si_,O,$12:&,>|, $9:@,45,-60,OH,1^120://NH, {5~zf^-15,7,9^-75,12,13~zf}:/OH,{2,6^180}:NH) @@ -346,7 +346,7 @@ beginfont("EN:Pyrethrin I","MW:328.452"); endfont; %*************************************************************************** beginfont("EN:Erythromycin","MW:733.937"); -MCf(<30,|<,``1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,>|,1:&, +MCf(<30,|<=1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,>|,1:&, 14:O,13:/*!,{1,9}://O,{2,10}:*/_,{4,6^-35,8,12^35}:/*_, {6^35,11,12^-35}:*/OH, $3:\*,O,30,|,?6`.7,2:O,{3,5^35}:/_,4:/OH,5^-35:/O!, @@ -354,7 +354,7 @@ MCf(<30,|<,``1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,>|,1:&, endfont; %************************************************************************** beginfont("EN:Paclitaxel","MW:853.918") - MCf(?6,5=d,3:@,|<,``1,36,45,45,45,45,>|,$5:&,-4=?6,-4=?4,||,-1=wb,-3=wf,-1:O, + MCf(?6,5=d,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) 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 f91b4bf4315..763f58b333d 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 eba84daff8d..9c078593201 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 2018.01.03 +% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2018.04.16 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \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 dc9e6be63ba..18d32da7acf 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 2018.01.03 +% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2018.04.16 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -input mcf2graph.mf; %% it must be version 4.30 or later +input mcf2graph.mf; %% it must be version 4.31 or later %------------------------------------------------------------------------ sw_auxout:=0; sw_mol_frame:=0; @@ -111,7 +111,7 @@ beginfont("EN:Chain 1") numberB_end:=6; ratio_chain_ring:=1; %---------------------------------------------------------------------- - MCf(<15,-30,45,-45,30,-30,60, + MCf(<10,-30,45,-45,30,-30,60, {1^-75,2^67.5,3^-60,4^75,5^-75,6^60}:/_~dt ) ext( @@ -184,10 +184,10 @@ beginfont("EN:branch1") margin_top_bottom:=2mm; sw_numberA:=1; sw_clip:=1; - numberA_end:=9; + numberA_end:=10; ratio_chain_ring:=1; %---------------------------------------------------------------------- - MCf(<-30,!8,2:\,!,4:*\,!,6:\*,!,8:\\,!) + MCf(<-30,!10,2:\,!,4:*\,!,6:\*,!,8:\\,!,10:*\*,!) endfont %*********************************************************************** beginfont("EN:branch2") @@ -441,15 +441,16 @@ beginfont("EN:substituent 1") endfont %*********************************************************************** beginfont("EN:substituent 2") + font_wd:=70mm; font_ht:=15mm; sw_clip:=1; - MCf(<-30,!`1,//O,!2`1,/*H,!2`1,*/H,!2`1,**?3,!`1) + MCf(<-30,!`1,//O,!2`1,/*H,!2`1,*/H,!2`1,*/*H,!2`1,**?3,!`1) endfont %*********************************************************************** beginfont("EN:substituent 3") font_ht:=18mm; sw_clip:=1; - MCf(<30,``1,!2,/_~zf`2^30,!2,*/!2>lr,!2,*/!2>rl,!) + MCf(<30,``1,!2,/_`2^30,!2,/!2>lr,!2,/!2>rl,!) endfont %*********************************************************************** beginfont("EN:substituent 3") @@ -475,7 +476,7 @@ beginfont("EN:substituent 5") margin_top_bottom:=2mm; sw_clip:=1; sw_numberA:=1; numberA_end:=8; - MCf(<30,!7`1,3:/*_`2^30,5:*/!2>lr,7:*/!2>rl) + MCf(<30,!7`1,3:/_`2^30,5:/!2>lr,7:/!2>rl) endfont %*********************************************************************** beginfont("EN:chain strech direction mode 1") @@ -906,10 +907,9 @@ beginfont("EN:MCc()") font_wd:=60mm; font_ht:=20mm; sw_font_frame:=1; - sw_mol_frame:=1; - MCc(1,1)(<30,?6) - sw_mol_frame:=1; - MCc(0.5,0.5)(<30,?6) + MCc(1 ,1 )(?6) + MCc(0.75,0.75)(?6) + MCc(0.5 ,0.5 )(?6) endfont %*********************************************************************** beginfont("EN:MCf() ht1") @@ -1067,7 +1067,7 @@ endfont beginfont("EN:Atoropin","CAS:51-55-8","FM:C17H23NO3","MW:289.37") font_ht:=25mm; MCf(<-30,O,!,//O,!,!,Ph, - $1:@,-120~zb,|,?7,6:*\^190`1.12,N,/_,3~wb:&,$3:\~wv,!,OH) + $1:@,-120~zb,|,?7,6:*\^190`1.12,N,/_,3~wb:&,$3:*\*,!,OH) endfont %*************************************************************************** beginfont("EN:Rotenone"); 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 83fdf3c1590..e6ba522d695 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 c551c31b267..d5e694c8ca4 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 2018.01.03 +% Molecular Coding Format manual by Akira Yamaji 2018.04.16 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} %%%%\documentclass[a4paper,twoside]{article} @@ -102,7 +102,7 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\ real number plus (+): Counterclockwize real number minus(-): Clockwize - <15,-30,45,-45,30,-30,60 + <10,-30,45,-45,30,-30,60 \end{verbatim} \MCFstructure %----------------------------------------------------------------------------- @@ -134,24 +134,22 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\ %----------------------------------------------------------------------------- \subsubsection{Branch bond} \begin{verbatim} - 2:\ : 2:@,0 - 4:*\ : 4:@,0~wf - 6:\* : 6:@,0~zf - 8:\\ : 8:@,0~dm + 2:\ : 2:@,0 + 4:*\ : 4:@,0~wf + 6:\* : 6:@,0~zf + 8:\\ : 8:@,0~dm + 10:*\* : 10:@,0~wv - <30,!8,2:\,!,4:*\,!,6:\*,!,8:\\,! + <30,!8, + 2:\,!,4:*\,!,6:\*,!,8:\\,!,10:*\*,! \end{verbatim} \MCFstructure %----------------------------------------------------------------------------- \begin{verbatim} - 2:\~dr : 2:@,0~dr - 4:\`1.5 : 4:@,0`1.5 - 6:\^15 : 6:@,0^15 - <-30,!6, - 2:\~dr,!, - 4:\`1.5,-90, - 6:\^15,-60 + 2:\~dr,!, : 2:@,0~dr,! + 4:\`1.5,-90, : 4:@,0`1.5,-90 + 6:\^15,-60 : 6:@,0^15,-60 \end{verbatim} \MCFstructure %----------------------------------------------------------------------------- @@ -448,17 +446,18 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\ %----------------------------------------------------------------------------- \subsubsection{Insert modified substituent} \begin{verbatim} - // : double (double middle) - */ : wedge forward - /* : wedge dotted forward - ** : direct + // : double (double middle) + */ : wedge forward + /* : wedge dotted forward + */* : wave + ** : direct - <30,!,//O,!,/*H,!,*/H,!,/?3,!,**?3,! + <30,!,//O,!2,/*H,!2,*/H,!2,*/*H,!2,**?3,! \end{verbatim} \MCFstructure \vspace{-3mm}% \begin{verbatim} - // /* */ ** + // /* */ */* ** \end{verbatim} %----------------------------------------------------------------------------- \begin{verbatim} @@ -467,8 +466,8 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\ ` : change length > : change enviroment - <30,``1,!,/_~zf`2^30, - !2,*/!2>lr,!2,*/!2>rl,!) + <30,``1,!, + /_`2^30,!2,/!2>lr,!2,/!2>rl,!) \end{verbatim} \MCFstructure %----------------------------------------------------------------------------- @@ -493,7 +492,7 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\ ^,`,> : change angle,length,environment <30,!7`1, - 3:/*_`2^30,5:*/!2>lr,7:*/!2>rl + 3:/_`2^30,5:/!2>lr,7:/!2>rl \end{verbatim} \MCFstructure %----------------------------------------------------------------------------- @@ -566,8 +565,10 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\ \begin{verbatim} |< : start brock >| : end brock + |<=n : |<,``n <30,!2,|<,``1.2,!2,>|,!2 + <30,!2,|<=1.2,!2,>|,!2 \end{verbatim} \MCFstructure %----------------------------------------------------------------------------- @@ -983,8 +984,9 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\ b: ratio molecular hight/font hight beginfont() - MCc(1,1)(<30,?6) - MCc(0.5,0.5)(<30,?6) + MCc(1 ,1 )(?6) + MCc(0.75,0.75)(?6) + MCc(0.5 ,0.5 )(?6) endfont \end{verbatim} \MCFstructure @@ -1262,7 +1264,7 @@ drawarrow & drawdblarrow: <-30,O,!,//O,!,!,Ph, $1:@,-120~zb, |,?7,6:*\^190`1.02,N,/_,3~wb:&, - $3:\~wv,!,OH + $3:*\*,!,OH \end{verbatim} \MCFstructure %----------------------------------------------------------------------------- @@ -1293,7 +1295,7 @@ drawarrow & drawdblarrow: %----------------------------------------------------------------------------- \subsection{Paclitaxel} \begin{verbatim} - ?6,5=d,3:@,|<,``1,36,45,45,45,45,>|,$5:&, + ?6,5=d,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, 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 3952d0bb94a..461372c8694 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 252b8a749da..8d9ce8d6572 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 2018.01.03 +% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2018.04.16 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -%%% mcf2graph.mf it must be version 4.30 or later +%%% mcf2graph.mf it must be version 4.31 or later \documentclass{article} %------------------------------------------------------------------------------ \usepackage{luamplib}% @@ -41,7 +41,7 @@ font_wd:=80mm; font_ht:=40mm; beginfont("NO:1","EN:Chlorophyll a","MW:893.49") MCd(.9,.9)(0,0.5)(<54, - |<,``1,?5,{2,5}=dl,4:N,3:\,54~dl,|,?5,{2,4}=dl,5:N, + |<=1,?5,{2,5}=dl,4:N,3:\,54~dl,|,?5,{2,4}=dl,5:N, -2:\,54~dl,|,?5,2=dl,5:N,-2:\~dl,54,|,?5,5=dl,5:N,-2:\~dl,$5:&, -1:@,24,/*COO!^15,72,//O,$1:&,>|, 4:\`1.45,Mg,17:&,-1:@,11~vb:&,-1:@,23~vb:&, @@ -59,7 +59,7 @@ \end{mplibcode} \begin{minipage}[b]{85mm} \begin{verbatim} -|<,``1,?5,{2,5}=dl,4:N,3:\,54~dl, +|<=1,?5,{2,5}=dl,4:N,3:\,54~dl, |,?5,{2,4}=dl,5:N, -2:\,54~dl,|,?5,2=dl,5:N, -2:\~dl,54,|,?5,5=dl,5:N,-2:\~dl,$5:&, @@ -192,7 +192,7 @@ endfont font_wd:=80mm; font_ht:=35mm; beginfont("NO:5","EN:Erythromycin","MW:733.93"); MCa(0.8,0.5)( - <30,|<,``1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,>|,1:&, + <30,|<=1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,>|,1:&, 14:O,13:/*Et,{1,9}://O,{2,10}:*/_,{4,6^-35,8,12^35}:/*_, {6^35,11,12^-35}:*/OH, $3:\*,O,30,|,?6`.7,2:O,{3,5^35}:/_,4:/OH,5^-35:/O!, @@ -209,7 +209,7 @@ beginfont("NO:5","EN:Erythromycin","MW:733.93"); \end{mplibcode} \begin{minipage}[b]{85mm} \begin{verbatim} -<30,|<,``1,<-120,60,60,60,-60,60, +<30,|<=1,<-120,60,60,60,-60,60, 60,-60,60,60,60,-60,60,60,>|,1:&, 14:O,13:/*Et,{1,9}://O,{2,10}:*/_, {4,6^-35,8,12^35}:/*_, @@ -226,7 +226,7 @@ $5:\*^30`1.7,O,!,|,?6`.7,6:O, font_wd:=80mm; font_ht:=35mm; beginfont("EN:Paclitaxel","MW:853.918") MCa(0.8,0.5)( - ?6,5=d,3:@,|<,``1,36,45,45,45,45,>|,$5:&,-4=?6,-4=?4,||,-1=wb,-3=wf,-1:O, + ?6,5=d,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 @@ -242,7 +242,7 @@ endfont \end{mplibcode} \begin{minipage}[b]{85mm} \begin{verbatim} -?6,5=d,3:@,|<,``1,36,45,45,45,45,>|,$5:&, +?6,5=d,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, @@ -260,7 +260,7 @@ font_wd:=80mm; font_ht:=65mm; beginfont("NO:6","EN:Vancomycin","MW:1449.25"); MCa(0.9,0)( <30, - |<,``1,!12,{1,3,12}=zf,7=wf,/H^-60,60,*/OH,60, + |<=1,!12,{1,3,12}=zf,7=wf,/H^-60,60,*/OH,60, Ph,-4:/Cl,-3:\,O,!,Ph,-4:\,O,!,Ph,-1^15:/Cl,-3:\,/*OH,*/H^-60,$1:&, $7:@,$26:&,$1:@,120,//O,60,NH,60,/*H,*/COOH^180,-60, Ph,{-2,-4}:/OH,-1:\,Ph,-5:/OH,-2:@,$4:&,>|, @@ -282,7 +282,7 @@ endfont; \end{mplibcode} \begin{minipage}[b]{85mm} \begin{verbatim} -<30,|<,``1,!12,{1,3,12}=zf,7=wf, +<30,|<=1,!12,{1,3,12}=zf,7=wf, /H^-60,60,*/OH,60,Ph,-4:/Cl, -3:\,O,!,Ph,-4:\,O,!,Ph,-1^15:/Cl, -3:\,/*OH,*/H^-60,$1:&, diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf index 3dd99c950c4..875b4e32b1a 100644 --- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf +++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% mcf2graph ver 4.30 Copyright (c) 2013-2018 Akira Yamaji +% mcf2graph ver 4.31 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, @@ -31,7 +31,7 @@ % Set to use plain.mp label,arrow : mpost -s ahlength=3 FILENAME %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% tracingstats:=1; -message " This is mcf2graph ver 4.3 2018.01"; +message " This is mcf2graph ver 4.3 2018.04"; %------------------------------------------------------------------------------------------------- newinternal nA,nB,nC,nD,nE,nF,char_num,str_cnt,sub_usr,sub_int,tbl_cnt; numeric save_para[],comD[][],parD[][],cntD[],tbl_str_wd[],tbl_atom[],tbl_subst[][],tbl_atom_wt[], @@ -115,7 +115,7 @@ sub_int_start:=3000; % 3000 => 4000 for internal sub structure (max 1000) def def_com(expr n)(text tx)= nA:=n; forsuffixes list=tx:: list:=nA; nA:=nA+1; endfor enddef; def_com(-4000)(_term,_jp_atom,_jp_atom_abs,_jp_bond,_cyc,_cyc_sB,_cyc_eB,_set_line,_chg_line, _dl,_mb,_N,_O,_S,_tmp_line,_chg_len,_get_len,_ring_len,_tmp_len,_rot_ang,_adj_ang,_chg_env, - _tmp_env,_set_colorA,_set_colorB,_postA,_postB,_postC,_postD,_postE,_postF,_postH,_stack_reset, + _tmp_env,_set_colorA,_set_colorB,_postA,_postB,_postC,_postD,_postE,_postF,_postG,_postH, _set_clr,_set_adr,_mk_bond,_set_atom,_arg_ang,_chg_atom,_tmp_rot,_fuse,_push,_pop, _size_a,_numeric,_jump_at,_connect_at); def_com(1)(si,dl,dr,db,dm,tm,wf,wb,bd,bz,zf,zb,dt,wv,nl,vf,vb,si_,wf_,wb_,bd_); @@ -197,8 +197,8 @@ def endfont= enddef; %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% def set_def_MC= - save /,//,/*,*/,**,~,~~,^,^^,`,'`,<,>,>>,:>,&,:,=,\,\\,*\,\*,@,$,{,}, - |,||,|<,>|,|:,:|,_,d,w,z,inside_def_MC; + save /,//,/*,*/,**,*/*,~,~~,^,^^,`,'`,<,>,>>,:>,&,:,=,\,\\,*\,\*,*\*,@,$,{,}, + |,||,|<,>|,|<=,|:,:|,_,d,w,z,inside_def_MC; inside_def_MC:=1; _:=Me; d:=db; w:=wf; z:=zf; tertiarydef a=b == change_bond(a,b) enddef; @@ -213,13 +213,14 @@ def set_def_MC= tertiarydef a~b == ~~b,a enddef; tertiarydef a>b == :>b,a enddef; def & == _connect_at enddef; def @ == _jump_at enddef; def \ == @,0 enddef; - def \\ == \~dm enddef; def *\ == \~wf enddef; def \* == \~zf enddef; - def |< == (_push,1) enddef; def >| == (_pop,1) enddef; - def | == |<,>| enddef; def || == (_stack_reset,0) enddef; + def \\ == \~dm enddef; def *\ == \~wf enddef; def \* == \~zf enddef; def *\* == \~wv enddef; def |: == (_push,0) enddef; def :| == (_pop,0) enddef; - def /secondary n == (_postA,n) enddef; def //secondary n == (_postB,n) enddef; - def */secondary n == (_postC,n) enddef; def /*secondary n == (_postD,n) enddef; - def */*secondary n == (_postE,n) enddef; def **secondary n == (_postF,n) enddef; + def |< == (_push,1) enddef; def >| == (_pop,1) enddef; + def |<=primary n == ``n,(_push,1) enddef; + def | == (_push,2) enddef; def || == (_pop,2) enddef; + def /secondary n == (_postA,n) enddef; def //secondary n == (_postB,n) enddef; + def */secondary n == (_postC,n) enddef; def /*secondary n == (_postD,n) enddef; + def **secondary n == (_postF,n) enddef; def */*secondary n == (_postG,n) enddef; enddef; %================================================================================================= vardef '(text s)= ''(incr sub_usr)(s); sub_usr enddef; @@ -658,10 +659,14 @@ def proc_bond_atom(expr n)= for i=n upto cntD[0]: com:=comD[0][i]; par:=parD[0][i]; if com=_push: - if par=1: stkL[adrS]:=bondL; stkA[incr adrS]:=adrA:=cntA; stkB[adrS]:=adrB:=cntB; - elseif par=0: temp_len:=bondL; fi - elseif com=_pop: if par=1: adrA:=stkA[decr adrS]; adrB:=stkB[adrS]; bondL:=stkL[adrS]; - elseif par=0: bondL:=temp_len; fi + if par=1: stkL[adrS]:=bondL; stkA[incr adrS]:=adrA:=cntA; stkB[adrS]:=adrB:=cntB; + elseif par=0: temp_len:=bondL; + elseif par=2: stkA[adrS+1]:=cntA; stkB[adrS+1]:=cntB; + fi + elseif com=_pop: if par=1: adrA:=stkA[decr adrS]; adrB:=stkB[adrS]; bondL:=stkL[adrS]; + elseif par=0: bondL:=temp_len; + elseif par=2: stkA[adrS+1]:=0; + fi elseif com=_mk_bond: if (par=0)and(rotT<>0): rotT:=0; fi add_atom; elseif com=_set_adr: adrT:=par; elseif com=_set_atom: strAT:=par; @@ -671,6 +676,7 @@ def proc_bond_atom(expr n)= elseif com=_postD: lineT:=zf; ps_put; elseif com=_postE: lineT:=nl; ps_put; elseif com=_postF: lineT:=0; ps_put; + elseif com=_postG: lineT:=wv; ps_put; elseif com=_postH: lineT:=nl; lenT:=_size_a; ps_put; elseif com=_jp_bond: termA; tempB:=getB(par); check_adrB(tempB); sB[cntB+1]:=sB[tempB]; f_bra:=1; elseif com=_jp_atom: termA; tempA:=getA(par); check_adrA(tempA); sB[cntB+1]:=tempA; f_bra:=1; @@ -700,7 +706,6 @@ def proc_bond_atom(expr n)= if lenT<>crR: f_lenT:=1; fi if envT<>hz: f_envT:=1; fi elseif par=0: f_lineT:=f_rotT:=f_lenT:=f_envT:=rotT:=envT:=0; lineT:=si; lenT:=crR; fi - elseif com=_stack_reset: stkA[adrS+1]:=0; elseif com=_term: termA; elseif com=_set_colorA: colorA[getA(adrT)]:=par; elseif com=_set_colorB: colorB[getB(adrT)]:=par; @@ -732,9 +737,13 @@ def proc_skeleton= com:=comD[0][i]; par:=parD[0][i]; if com=_push: if par=1: stkM[adrS]:=envB; adrS:=adrS+1; stkA[adrS]:=adrA:=cntA; stkB[adrS]:=adrB:=cntB; - elseif par=0: temp_len:=bondL; fi + elseif par=0: temp_len:=bondL; + elseif par=2: stkA[adrS+1]:=cntA; stkB[adrS+1]:=cntB; + fi elseif com=_pop: if par=1: adrA:=stkA[decr adrS]; adrB:=stkB[adrS]; envB:=stkM[adrS]; - elseif par=0: temp_len:=bondL; fi + elseif par=0: temp_len:=bondL; + elseif par=2: stkA[adrS+1]:=0; + fi elseif com=_jp_bond: termB; tempB:=getB(par); posBs:=posA[sB[tempB]]; angT:=angB[tempB]; f_bra:=1; rotT:=0; elseif com=_jp_atom: termB; adrT:=getA(par); posBs:=posA[adrT]; @@ -754,7 +763,7 @@ def proc_skeleton= elseif com=_cyc_sB: f_end:=1; proc_cyc(sB[getB(par)]); elseif com=_cyc_eB: f_end:=1; proc_cyc(eB[getB(par)]); elseif com=_term: termB; - elseif com=_stack_reset: stkA[adrS+1]:=0; +%%%%%%%%% elseif com=_stack_reset: stkA[adrS+1]:=0; fi endfor enddef; @@ -955,7 +964,7 @@ Na:='("{Na}");Ca:='("{Ca}");Hg:='("{Hg}");Ni:='("{Ni}");Ti:='("{Ti}");U:='("U"); R:='("R"); R1:='("{R^1^}"); R2:='("{R^2^}"); R3:='("{R^3^}"); R4:='("R^4^"); R5:='("{R^5^}"); %------------------------------------------------------------------------------------------------- CHO:='("CHO"); OH:='("OH"); COOH:='("COOH"); CH2:='("C{H_2_}"); CH3:='("C{H_3_}"); CN:='("CN"); -NH2:='("N{H_2_}"); NO2:='("N{O_2_}"); SH:='("SH"); SO3:='("S{O_3_}"); NH:='(N,*/*H); +NH2:='("N{H_2_}"); NO2:='("N{O_2_}"); SH:='("SH"); SO3:='("S{O_3_}"); NH:='(N,(_postE,H)); NMe:=N!:='(N,/Me); iPr:=Me!:='(/Me,60); tBu:='(/Me,/Me^60,60); SO:='(S,//O); SOO :='(S,//O^-35,//O^35); OMe:=O!:='(O,!); OEt:=O!2:='(O,!x2); OPr:=O!3:='(O,!x3); OiPr:=OMe!:='(O,!,iPr); |