From 95292f9a4428a98e9f5eedeec47db9fdbbab0bbf Mon Sep 17 00:00:00 2001 From: Karl Berry Date: Sun, 21 Feb 2021 22:14:56 +0000 Subject: mcf2graph (21feb21) git-svn-id: svn://tug.org/texlive/trunk@57830 c570f23f-e606-0410-a88d-b1316a301751 --- Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG | 9 +- Master/texmf-dist/doc/metapost/mcf2graph/README | 2 +- .../doc/metapost/mcf2graph/mcf_exa_soc.mf | 37 +-- .../doc/metapost/mcf2graph/mcf_example.pdf | Bin 535780 -> 535779 bytes .../doc/metapost/mcf2graph/mcf_man_soc.mf | 321 +++++++++++--------- .../doc/metapost/mcf2graph/mcf_manual.pdf | Bin 633398 -> 617135 bytes .../doc/metapost/mcf2graph/mcf_manual.tex | 336 ++++++++++++--------- .../doc/metapost/mcf2graph/mcf_mplib_exa.pdf | Bin 202100 -> 202477 bytes .../doc/metapost/mcf2graph/mcf_mplib_exa.tex | 155 +++++----- 9 files changed, 483 insertions(+), 377 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 d0926ab2093..8bf1b7f3d57 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG +++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG @@ -1,6 +1,13 @@ ******************************************************************************* - Changelog of mcf2graph software package by Akira Yamaji 2021-02-11 + Changelog of mcf2graph software package by Akira Yamaji 2021-02-21 ******************************************************************************* +[ver. 4.58 / 2021-02-21] + -change syntax + "+" => p_ + "-" => n_ + -add function check_mc() + -update MCF manual,example + [ver. 4.57 / 2021-02-11] -change syntax n:@ => @n diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README index 7b4bb20d032..dd818987a10 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 : 4.57 2021-02-11 + version : 4.58 2021-02-21 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 b1675647755..65420533fc0 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf @@ -1,8 +1,8 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2021.02.11 +% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2021.02.21 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -input mcf2graph.mf; %%% it must be version 4.57 -message "* mcf_exa_soc 2021.02.11"; +input mcf2graph.mf; %%% it must be version 4.58 +message "* mcf_exa_soc 2021.02.21"; message ""; %------------------------------------------------------------------------- fsize:=(35mm,24mm); @@ -29,12 +29,7 @@ tag1:="F"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW"; %%%% 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 ); %--------------------------------------------------------------------------- -%%%%sw_calc:=1; -%%%%ext(defaultfont:="uhvr8r"; defaultscale:=.3; -%%%% label.lrt(decimal(char_num)&":"&inf_EN&" MW="&cal_MW -%%%% if (inf_MW<>"-")and(cen_MW<40): -%%%% &"("& decimal(num_MW-scantokens(inf_MW))&")" -%%%% else: &"(-)" fi ,(-2bp,1.5bp));) +%%%%ext(defaultfont:="uhvr8r"; defaultscale:=.3; label.lrt(mc,(-2bp,1.5bp));) %*************************************************************************** beginfont("EN:Adenine","MW:135.13") MC(<30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH) @@ -116,8 +111,8 @@ endfont %*************************************************************************** beginfont("EN:Thiamine","MW:300.81") MC(<30,Ph,4:/NH2,@3,\`1,!,<-12,?5,{-1,-4}=dl,{1,5,8}:N,11:S,{6,9}:/_, - @-3,\,!2,OH,8:"+"^72) - MCat(.95,.75)(Cl,"-"^15) + @-3,\,!2,OH,8:p_^72) + MCat(.95,.75)(Cl,n_^15) endfont %************************************************************************** beginfont("EN:Gibberellin A3","MW:346.379"); @@ -183,8 +178,8 @@ beginfont("EN:Sudan red 1","MW:248.28") endfont %*************************************************************************** beginfont("EN:Basic blue 1","MW:319.86") - MC(<30,Ph,3=Ph,6=Ph,2:S,5:N,{8,13}:/N?!,2:"+") - MCat(1,.7)(Cl,"-"^15) + MC(<30,Ph,3=Ph,6=Ph,2:S,5:N,{8,13}:/N?!,2:p_) + MCat(1,.7)(Cl,n_^15) endfont %*************************************************************************** beginfont("EN:Disperse violet 1","MW:238.25") @@ -240,9 +235,9 @@ beginfont("EN:Halfenprox","MW:477.4") endfont %*************************************************************************** beginfont("EN:Paraquat","MW:257.16") - MC(Ph,@4,\,Ph,{1,10}:N!,1:"+"^-90,10:"+"^90) - MCat(1,.75)(Cl,"-"^15) - MCat(1,.60)(Cl,"-"^15) + MC(Ph,@4,\,Ph,{1,10}:N!,1:p_^-90,10:p_^90) + MCat(1,.75)(Cl,n_^15) + MCat(1,.60)(Cl,n_^15) endfont %*************************************************************************** beginfont("EN:Picolinafen","MW:376.331") @@ -484,9 +479,9 @@ endfont %*************************************************************************** beginfont("EN:Cefalonium","MW:458.5107") MC(<45,?4,-3=?6,-4=dl,2:N,8:S, - 3^45:/*H,1://O^15,@5,\*,//O,!,O,"-"^40, + 3^45:/*H,1://O^15,@5,\*,//O,!,O,n_^40, @4,*\^15,NH,!,//O,!2,?5,{-1,-3}=dl,-4:S, - @6,\,!,|,Ph,1:N,1:"+"^180,@4,\,//O,!,NH2) + @6,\,!,|,Ph,1:N,1:p_^180,@4,\,//O,!,NH2) endfont %*************************************************************************** beginfont("EN:Cefazorin","MW:454.51") @@ -498,9 +493,9 @@ endfont %*************************************************************************** beginfont("EN:Cefquinome","MW:528.6") MC(<45,?4,-3=?6,-4=dl,2:N,8:S, - 3^45:/*H,1://O^15,@5,\*,//O,!,O,"-"^40, + 3^45:/*H,1://O^15,@5,\*,//O,!,O,n_^40, @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2, - @6,\,!,Ph,-2=?6,-10:N,-10:"+"^180) + @6,\,!,Ph,-2=?6,-10:N,-10:p_^180) endfont %*************************************************************************** beginfont("EN:Ceftiofur","MW:523.5626") @@ -803,7 +798,7 @@ beginfont("EN:illudin S","MW:264.3") endfont %*************************************************************************** beginfont("EN:Muscarine","MW:174.26") - MC(<18,?5,2:O,1:*/_,5:/*OH,@3,*\,48,N,??,"+"^180,!) + MC(<18,?5,2:O,1:*/_,5:/*OH,@3,*\,48,N,??,p_^180,!) endfont %*************************************************************************** beginfont("EN:Psilocybin","MW:284.248") diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf index 71e5a0dfb0f..ba142e98185 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_man_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf index 0f99177e283..3a2da782e28 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf @@ -1,128 +1,134 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2021.02.11 +% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2021.02.21 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -input mcf2graph.mf; %% it must be version 4.57 -message "mcf_man_soc 2021.01.31"; message ""; +input mcf2graph.mf; %% it must be version 4.578 +message "mcf_man_soc 2021.02.21"; message ""; %------------------------------------------------------------------------ sw_mframe:=0; sw_expand:=0; %%%%sw_aux_out:=0; %%%%sw_rep_out:=1; -%ext(defaultscale:=.5; label.bot(decimal(char_num)&":"&inf_EN,(.5w,0));) +%%%%ext(defaultscale:=.5; label.bot(decimal(char_num)&":"&inf_EN,(.5w,0));) +%%%%ext(defaultscale:=.5; label.bot(mc,(.5w,0));) %*********************************************************************** fsize:=(40mm,25mm); blength:=6mm; %*********************************************************************** -beginfont("EN:Glycine") - MC(<30,NH2,!2,COOH) +beginfont("EN:Glycine",":<30,NH2,!2,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Alanine") - MC(<30,NH2,!~wb,/_,!,COOH) +beginfont("EN:L-Alanine",":<30,NH2,!~wb,/_,!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Valine") - MC(<30,NH2,!~wb,/!?!,!,COOH) +beginfont("EN:L-Valine",":<30,NH2,!~wb,/!?!,!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Leucine") - MC(<30,NH2,!~wb,/!?!,!,COOH) +beginfont("EN:L-Leucine",":<30,NH2,!~wb,/!?!,!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Isoleucine") - MC(<30,NH2,!~wb,/'(/*_,!2),!,COOH) +beginfont("EN:L-Isoleucine",":<30,NH2,!~wb,/'(/*_,!2),!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Serine") - MC(<30,NH2,!~wb,/!OH,!,COOH) +beginfont("EN:L-Serine",":<30,NH2,!~wb,/!OH,!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Threonine") - MC(<30,NH2,!~wb,/'(/_,!~wf,OH),!,COOH) +beginfont("EN:L-Threonine",":<30,NH2,!~wb,/'(/_,!~wf,OH),!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Cysteine") - MC(<30,NH2,!~wb,/!SH,!,COOH) +beginfont("EN:L-Cysteine",":<30,NH2,!~wb,/!SH,!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Methionine") - MC(<30,NH2,!~wb,/'(!2,S,!),!,COOH) +beginfont("EN:L-Methionine",":<30,NH2,!~wb,/'(!2,S,!),!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Phenylalanine") - MC(<30,NH2,!~wb,/!Ph,!,COOH) +beginfont("EN:L-Phenylalanine",":<30,NH2,!~wb,/!Ph,!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Tyrosine") - MC(<30,NH2,!~wb,/'(!Ph,-3:/OH),!,COOH) +beginfont("EN:L-Tyrosine",":<30,NH2,!~wb,/'(!Ph,-3:/OH),!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Triptophan") - MC(<30,NH2,!~wb,!,COOH,@2,\,!,<24,|,?5,-4=Ph,2=dr,5=dl,4:NH) +beginfont("EN:L-Triptophan", + ":<30,NH2,!~wb,!,COOH,@2,\,!,<24,|,?5,-4=Ph,2=dr,5=dl,4:NH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Prorine") - MC(<18,?5,3:NH,4:*/COOH) +beginfont("EN:L-Prorine",":<18,?5,3:NH,4:*/COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Glutamine") - MC(<30,NH2,!~wb,!,COOH,@2,\`1,!`1,!,//O,!,NH2) +beginfont("EN:L-Glutamine", + ":<30,NH2,!~wb,!,COOH,@2,\`1,!`1,!,//O,!,NH2") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Asparagine") - MC(<30,NH2,!~wb,/'(!,//O,!,NH2),!,COOH) +beginfont("EN:L-Asparagine",":<30,NH2,!~wb,/'(!,//O,!,NH2),!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Aspartic acid") - MC(<30,NH2,!~wb,/!COOH,!,COOH) +beginfont("EN:L-Aspartic acid",":<30,NH2,!~wb,/!COOH,!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Glutamic acid") - MC(<30,NH2,!~wb,/'(!2,COOH),!,COOH) +beginfont("EN:L-Glutamic acid",":<30,NH2,!~wb,/'(!2,COOH),!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Lysine") - MC(<30,NH2,!~wb,/'(!4,NH2),!,COOH) +beginfont("EN:L-Lysine",":<30,NH2,!~wb,/'(!4,NH2),!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Arginine") - MC(<30,NH2,!~wb,!,COOH,@2,\`1,!`1,!2,NH,!,//NH,!,NH2) +beginfont("EN:L-Arginine", + ":<30,NH2,!~wb,!,COOH,@2,\`1,!`1,!2,NH,!,//NH,!,NH2") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Hystidine") - MC(<30,NH2,!~wb,!,COOH,@2,\,!,|,?5,{1,3}=dl,3:N,5:NH) +beginfont("EN:L-Hystidine", + ":<30,NH2,!~wb,!,COOH,@2,\,!,|,?5,{1,3}=dl,3:N,5:NH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-DOPA") - MC(<30,NH2,!~wb,!,COOH,@2,\,!,Ph,{-3,-4}:/OH) +beginfont("EN:L-DOPA",":<30,NH2,!~wb,!,COOH,@2,\,!,Ph,{-3,-4}:/OH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:Ornithine") - MC(<30,NH2,!~wb,/'(!3,NH2),!,COOH) +beginfont("EN:Ornithine",":<30,NH2,!~wb,/'(!3,NH2),!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:Citrulline") - MC(<30,NH2,!~wb,/'(!3,NH,!,//O,!,NH2),!,COOH) +beginfont("EN:Citrulline",":<30,NH2,!~wb,/'(!3,NH,!,//O,!,NH2),!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:GABA") - MC(<30,NH2,!4,COOH) +beginfont("EN:GABA",":<30,NH2,!4,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:amino Levulinic acid") - MC(<30,NH2,!2,//O,!3,COOH) +beginfont("EN:amino Levulinic acid",":<30,NH2,!2,//O,!3,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:4-amino benzoic acid") - MC(<30,Ph,1:/NH2,4:/COOH) +beginfont("EN:4-amino benzoic acid",":<30,Ph,1:/NH2,4:/COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Carboxyl glutamic acid") - MC(<30,NH2,!~wb,/'(!,/COOH,!,COOH),!,COOH) +beginfont("EN:L-Carboxyl glutamic acid", + ":<30,NH2,!~wb,/'(!,/COOH,!,COOH),!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Hydroxy Prorine") - MC(<18,?5,1:/OH,3:NH,4:*/COOH) +beginfont("EN:L-Hydroxy Prorine",":<18,?5,1:/OH,3:NH,4:*/COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% @@ -376,7 +382,7 @@ endfont beginfont("EN:Charged atom") sw_trimming:=1; fsize:=(60mm,12mm); - MC(<-30,!2,N,??,"+",!2,S,"-"^180,!6,7:N,7:??,9:S,7:"+",9:"-"^180) + MC(<-30,!2,N,??,p_,!2,S,n_^180,!6,7:N,7:??,9:S,7:p_,9:n_^180) endfont %*********************************************************************** beginfont("EN:fused ring") @@ -883,25 +889,25 @@ beginfont("EN:Switwch bondtype off") endfont %*********************************************************************** beginfont("EN:Switwch font frame 1") - fsize:=(40mm,10mm); + fsize:=(30mm,10mm); fmargin:=(5mm,1.5mm); sw_fframe:=1; MC(<30,Ph) endfont beginfont("EN:Switwch font frame 2") - fsize:=(40mm,10mm); + fsize:=(30mm,10mm); fmargin:=(5mm,1.5mm); sw_fframe:=2; MC(<30,Ph) endfont beginfont("EN:Switwch font frame 3") - fsize:=(40mm,10mm); + fsize:=(30mm,10mm); fmargin:=(5mm,1.5mm); sw_fframe:=3; MC(<30,Ph) endfont beginfont("EN:Switwch font frame 4") - fsize:=(40mm,10mm); + fsize:=(30mm,10mm); fmargin:=(5mm,1.5mm); sw_fframe:=4; MC(<30,Ph) @@ -962,23 +968,33 @@ endfont %----------------------------------------------------------------------- beginfont("EN:MCat()") defaultsize:=5bp; - fsize:=(75mm,75mm); + fsize:=(40mm,40mm); fmargin:=(3mm,3mm); - blength:=0.07; + blength:=0.1; sw_fframe:=1; mangle:=0; - for i=1 step -0.25 until 0: - for j=0 step 0.25 until 1: + for i=1 step -0.5 until 0: + for j=0 step 0.5 until 1: MCat(j,i)(Ph,4:N) add( drawarrow((A1+A1up**aw)..A1); label(decimal(mangle),p0+(0.5w,0.5h)); ) - mangle:=mangle+15; + mangle:=mangle+30; endfor endfor endfont %*********************************************************************** +beginfont("EN:Pyridine",":<30,Ph,2:N") + fsize:=(12mm,12mm); + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%----------------------------------------------------------------------- +beginfont("EN:Pyridine",":<30,Ph,2):N") + fsize:=(12mm,12mm); + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%*********************************************************************** beginfont("EN:add() 1") fsize:=(70mm,43mm); sw_aframe:=sw_mframe:=1; @@ -1097,102 +1113,115 @@ beginfont("EN:?6") endfont defaultsize:=save_defaultsize; %*************************************************************************** -beginfont("EN:Luciferin","MW:280.33") - fsize:=(60mm,20mm); - MC( - <30,Ph,3=?5,@8,\,?5,{9,16}=dl, - {9,14}:N,{7,11}:S,1:/OH,-2:*/COOH - ) +beginfont("EN:Luciferin","MW:280.33", + %--------------------------------------- + ": <30,Ph,3=?5,@8,\,?5,{9,16}=dl, ", + ": {9,14}:N,{7,11}:S,1:/OH,-2:*/COOH ") + %--------------------------------------- + fsize:=(50mm,15mm); + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*************************************************************************** -beginfont("EN:Colchicine","MW:385.41") - fsize:=(60mm,25mm); - MC( - <30,Ph,{1,2,6}:/O!,-4=?7,-5=?7,{-1,-4,-6}=dl,-2://O,-3:/O!, - @9,\,NH,!,//O,! - ) +beginfont("EN:Colchicine","MW:385.41", + %--------------------------------------- + ": <30,Ph,{1,2,6}:/O!,-4=?7,-5=?7, ", + ": {-1,-4,-6}=dl,-2://O,-3:/O!, ", + ": @9,\,NH,!,//O,! ") + %--------------------------------------- + fsize:=(50mm,20mm); + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*************************************************************************** -beginfont("EN:Paclitaxel","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:??,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 - ) +beginfont("EN:Paclitaxel","MW:853.91", + %------------------------------------------------------ + ": ?6,5=dl,@3,#1,36,45,45,45,45,##, ", + ": &($5),-4=?6,-4=?4,-1=wb,-3=wf,-1:O,||, ", + ": 4:??,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 ") + %------------------------------------------------------ + fsize:=(50mm,25mm); + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*************************************************************************** -beginfont("EN:Lycorine","MW:287.31") - fsize:=(60mm,25mm); - MC(<30, - Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3], - 13=dl,8:N,{15,17}:O, - 9:/*H^180,10:*/H^60,13:*/OH,14:/*OH - ) -endfont -%*********************************************************************** -beginfont("EN:Gibberellin A3","MW:346.37"); - fsize:=(60mm,20mm); - MC( - <18,?5,3=?7,5=?6[12],@8,160`1.3,&3, - 13=dl,6=wf,8=wb, - @5,40~zf`1,O,50,//O^180,&14~zb, - 2:/COOH,7://_,13:*/OH,8:/*OH, - 14:*/_,{1,4}:*/H^60 - ) +beginfont("EN:Lycorine","MW:287.31", + %----------------------------------------- + ": <30,Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3], ", + ": 13=dl,8:N,{15,17}:O, ", + ": 9:/*H^180,10:*/H^60,13:*/OH,14:/*OH ") + %----------------------------------------- + fsize:=(50mm,20mm); + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%*********************************************************************** +beginfont("EN:Gibberellin A3","MW:346.37", + %---------------------------------------- + ": <18,?5,3=?7,5=?6[12],@8,160`1.3,&3, ", + ": 13=dl,6=wf,8=wb, ", + ": @5,40~zf`1,O,50,//O^180,&14~zb, ", + ": 2:/COOH,7://_,13:*/OH,8:/*OH, ", + ": 14:*/_,{1,4}:*/H^60 ") + %---------------------------------------- + fsize:=(50mm,18mm); + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*************************************************************************** -beginfont("EN:Quinine","MW:324.42") - fsize:=(60mm,25mm); - MC( - <30,Ph,3=Ph,7:N,6:/O!, - @10,\,*/OH,/H~zf^-60,!, - |,?6,2:N,1:*/H^60,4:*/!!, - @2,165~zf,60,&5~zb - ) +beginfont("EN:Quinine","MW:324.42", + %---------------------------------------- + ": <30,Ph,3=Ph,7:N,6:/O!, ", + ": @10,\,*/OH,/H~zf^-60,!, ", + ": |,?6,2:N,1:*/H^60,4:*/!!, ", + ": @2,165~zf,60,&5~zb ") + %---------------------------------------- + fsize:=(50mm,20mm); + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*************************************************************************** sw_calc:=1; ext(defaultfont:="uhvr8r"; defaultscale:=.75; - label.urt("NO = "&decimal(char_num),(0.1w,0.60h)); - label.urt("EN = "&inf_EN ,(0.1w,0.56h)); - label.urt("MW = "&inf_MW ,(0.1w,0.52h)); - label.urt("mw = "&cal_MW ,(0.1w,0.48h)); - label.urt("fm = "&cal_FM ,(0.1w,0.44h)); - label.urt("w = "&decimal(w) ,(0.1w,0.40h)); - label.urt("h = "&decimal(h) ,(0.1w,0.36h)); - label.urt("n = "&decimal(n) ,(0.1w,0.32h)); + label.urt("NO = "&decimal(char_num),(0.01w,0.60h)); + label.urt("EN = "&inf_EN ,(0.01w,0.57h)); + label.urt("MW = "&inf_MW ,(0.01w,0.54h)); + label.urt("mw = "&cal_MW ,(0.01w,0.51h)); + label.urt("fm = "&cal_FM ,(0.01w,0.48h)); + label.urt("w = "&decimal(w) ,(0.01w,0.45h)); + label.urt("h = "&decimal(h) ,(0.01w,0.42h)); + label.urt("n = "&decimal(n) ,(0.01w,0.39h)); label.urt("ratio_thickness_bond = "&decimal(ratio_thickness_bond), - (0.1w,0.28h)); + (0.01w,0.36h)); label.urt("ratio_atom_bond = "&decimal(ratio_atom_bond), - (0.1w,0.24h)); + (0.01w,0.33h)); label.urt("ratio_bondgap_bond = "&decimal(ratio_bondgap_bond), - (0.1w,0.20h)); + (0.01w,0.30h)); label.urt("ratio_chain_ring = "&decimal(ratio_chain_ring), - (0.1w,0.16h)); - label.urt("sw_fframe = "&decimal(sw_fframe),(0.1w,0.12h)); - label.urt("sw_aframe = "&decimal(sw_aframe),(0.1w,0.08h)); - label.urt("sw_trimming = "&decimal(sw_trimming),(0.1w,0.04h)); + (0.01w,0.27h)); + label.urt("sw_fframe = "&decimal(sw_fframe),(0.01w,0.24h)); + label.urt("sw_aframe = "&decimal(sw_aframe),(0.01w,0.21h)); + label.urt("sw_trimming = "&decimal(sw_trimming),(0.01w,0.18h)); + label.urt("mc1 ="&mc1,(0.01w,0.12h)); + label.urt("mc2 ="&mc2,(0.01w,0.09h)); + label.urt("mc3 ="&mc3,(0.01w,0.06h)); ) %*************************************************************************** -beginfont("EN:Ampicillin","MW:349.405") - fsize:=(60mm,90mm); - MCat(0.5,1)(<45,?4,-3=?5,2:N,7:S, - {3^45,4^-45}:/*H,1://O^15,5:/*COOH^-18,6:??, - @4,*\^75,NH,!,//O,!,/*NH2,!,Ph) +beginfont("EN:Ampicillin","MW:349.405", +": <45,?4,-3=?5,2:N,7:S,", +": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??,", +": @4,*\^15,NH,!,//O,!,/*NH2,!,Ph" +) + fsize:=(72mm,110mm); + blength:=7mm; + if check_mc(mc)=0: MCat(0.5,0.95)(scantokens(mc)) fi endfont %*************************************************************************** -beginfont("EN:Cholesterol","CAS:57-88-5","FM:C27H46O","MW:386.65") - fsize:=(60mm,90mm); - MCat(0.5,1)( - <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,?! - ) +beginfont("EN:Cholesterol","MW:386.65", + ": <30,?6,{-4,-2}=?6,-4=?5,7=dl, ", + ": 10:/*H^180,11:/*H^-60,17:/*H^-54, ", + ": 1:*/OH,{4,12}:*/_^60,@-1,18,/*_,-60,!3,?!") + fsize:=(72mm,110mm); + blength:=7mm; + if check_mc(mc)=0: MCat(0.5,0.95)(scantokens(mc)) fi endfont %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% bye diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf index 9e3950eeff1..5b295a87bb1 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 ef6c9b124f8..aea619862ad 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 2021.02.11 +% Molecular Coding Format manual by Akira Yamaji 2021.02.21 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage[pdftex]{graphicx} @@ -52,9 +52,9 @@ }% %--------------------------------------------------------------------------- \def\put@char{% - \begin{picture}(75,110)% - \put(0,100){\bf [\NO]\EN}% - \put(5,95){\small\tt FM:\fm{ }MW:\mw}% + \begin{picture}(75,130)% + \put(0,120){\bf [\NO]\EN}% + \put(5,115){\small\tt FM:\fm{ }MW:\mw}% \put(5,0){\font\@strufont=\File\relax% \hbox{\@strufont\char\Char}}% \end{picture}% @@ -394,10 +394,10 @@ exact mass, molecular formula. %----------------------------------------------------------------------------- \subsubsection{Charged atom} \begin{verbatim} - "+" : positive / "-" : negative + p_ : positive / n_ : negative -<-30,!2,N,??,"+",!2,S,"-"^180, -!6,7:N,7:??,9:S,7:"+",9:"-"^180 +<-30,!2,N,??,p_,!2,S,n_^180, +!6,7:N,7:??,9:S,7:n_,9:n_^180 \end{verbatim} \MCFgraph %----------------------------------------------------------------------------- @@ -902,7 +902,7 @@ exact mass, molecular formula. 0.06 0.12 0.20 \end{verbatim} %----------------------------------------------------------------------------- -\newpage +%%\newpage %----------------------------------------------------------------------------- \subsection{Drawing mode} %----------------------------------------------------------------------------- @@ -989,7 +989,7 @@ MCat(1, .5)(<30,Ph,4:/COOH,3:/NH2) \end{verbatim} \MCFgraph \begin{verbatim} - (Draw frame inside margin) + (Frame inside margin) sw_fframe=2 \end{verbatim} \MCFgraph @@ -999,7 +999,7 @@ MCat(1, .5)(<30,Ph,4:/COOH,3:/NH2) \end{verbatim} \MCFgraph \begin{verbatim} - (Draw small dot at corner) + (Small dot at corner) sw_fframe=4 \end{verbatim} \MCFgraph @@ -1018,6 +1018,28 @@ MCat(1, .5)(<30,Ph,4:/COOH,3:/NH2) MC(<30,COOH,!,COOH) \end{verbatim} \MCFgraph +%----------------------------------------------------------------------------- +\subsubsection{Remove indent} +\index{sw\_indent\_off}% +\begin{verbatim} + ** default sw_indent_off=0 + beginfont(": Ph ", + ": ,{1,4}:N ", + ": ,{2,3}:/_ ") + endfont + + mc1=" Ph" + mc2=" ,{1,4}:N" + mc3=" ,{2,3}:/_" + + sw_indent_off=1 + mc1="Ph" + mc2=",{1,4}:N" + mc3=",{2,3}:/_" + + mc="Ph,{1,4}:N,{2,3}:/_" ** 0 or 1 +\end{verbatim} +%----------------------------------------------------------------------------- \newpage %----------------------------------------------------------------------------- \subsection{Parameter setting} @@ -1085,36 +1107,53 @@ MCat(1, .5)(<30,Ph,4:/COOH,3:/NH2) MCat(c,d)(....) : - mposition:=(c,d); - MC(....) + mposition:=(c,d); MC(....) - c: x axis position - d: y axis position + c: x axis position d: y axis position - beginfont() defaultsize:=5bp; - fsize:=(75mm,75mm); - fmargin:=(3mm,3mm); - blength:=0.07; - sw_fframe:=1; + fsize:=(40mm,40mm); fmargin:=(3mm,3mm); + blength:=0.1; sw_fframe:=1; mangle:=0; - for i=1 step -0.25 until 0: - for j=0 step 0.25 until 1: - %---------------- + for i=1 step -0.5 until 0: + for j=0 step 0.5 until 1: MCat(j,i)(Ph,4:N) - %---------------- - add( - drawarrow((A1+A1up**aw)..A1); - label(decimal(mangle), - p0+(0.5w,0.5h)); + add(drawarrow((A1+A1up**aw)..A1); + label(decimal(mangle), + p0+(0.5w,0.5h)); ) - mangle:=mangle+15; + mangle:=mangle+30; endfor endfor - endfont \end{verbatim} \MCFgraph +%----------------------------------------------------------------------------- +\subsection{Function check\_mc()} +\index{check\_mc()}% +\begin{verbatim} + (immediately compile) + + beginfont("EN:Pyridine") + MC(Ph,<30,2:N) + endfont + + (check mcf and compile) + + beginfont("EN:Pyridine",":<30,Ph,2:N") + if check_mc(mc)=0: MC(scantokens(mc)) fi + endfont + + ** error in mcf check_mc(mc)=1 + beginfont("EN:Pyridine",":<30,Ph,2):N") + if check_mc(mc)=0: MC(scantokens(mc)) fi + endfont + +\end{verbatim} +\MCFgraph\hspace{15mm}\MCFgraph +\begin{verbatim} + check_mc(mc)=0 check_mc(mc)>=1 +\end{verbatim} %=============================================================================== \newpage \subsection{Function add()} @@ -1380,44 +1419,51 @@ endfont \section{MCF example} %----------------------------------------------------------------------------- \subsection{Luciferin} -\begin{verbatim} -beginfont("EN:Luciferin","MW:280.33") - fsize:=(60mm,20mm); - MC( - <30,Ph,3=?5,@8,\,?5,{9,16}=dl, - {9,14}:N,{7,11}:S,1:/OH,-2:*/COOH - ) +\index{check\_mc()}% +\begin{verbatim} +beginfont("EN:Luciferin","MW:280.33", + %------------------------------------- + ": <30,Ph,3=?5,@8,\,?5,{9,16}=dl, ", + ": {9,14}:N,{7,11}:S,1:/OH,-2:*/COOH ") + %------------------------------------- + fsize:=(50mm,20mm); + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont \end{verbatim} \MCFgraph %----------------------------------------------------------------------------- \subsection{Colchicine} \begin{verbatim} -beginfont("EN:Colchicine","MW:385.41") - fsize:=(60mm,25mm); - MC( - <30,Ph,{1,2,6}:/O!,-4=?7, - -5=?7,{-1,-4,-6}=dl, - -2://O,-3:/O!, - @9,\,NH,!,//O,! - ) +beginfont("EN:Colchicine","MW:385.41", + %------------------------------------- + ": <30,Ph,{1,2,6}:/O!,-4=?7,-5=?7, ", + ": {-1,-4,-6}=dl,-2://O,-3:/O!, ", + ": @9,\,NH,!,//O,! ") + %------------------------------------- + fsize:=(50mm,20mm); + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont \end{verbatim} \MCFgraph %----------------------------------------------------------------------------- \subsection{Paclitaxel} \begin{verbatim} -beginfont("EN:Paclitaxel","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,*/OCO!>rl,12:/*OCO!^-15>lr - ) +beginfont("EN:Paclitaxel","MW:853.91", + %------------------------------------ + ": ?6,5=dl,@3,#1,36,45,45,45,45,##, ", + ": &.$5", ", + ": -4=?6,-4=?4,-1=wb,-3=wf,-1:O,||, ", + ": 4:??,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 ") + %------------------------------------ + fsize:=(50mm,25mm); + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont \end{verbatim} \MCFgraph @@ -1425,27 +1471,30 @@ endfont \subsection{Lycorine} \begin{verbatim} beginfont("EN:Lycorine","MW:287.31") - fsize:=(60mm,25mm); - MC(<30, - Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3], - 13=dl,8:N,{15,17}:O, - 9:/*H^180,10:*/H^60,13:*/OH,14:/*OH - ) + %-------------------------------------- + ": Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3], ", + ": 13=dl,8:N,{15,17}:O, ", + ": 9:/*H^180,10:*/H^60, ", + ": 13:*/OH,14:/*OH ") + %-------------------------------------- + fsize:=(50mm,20mm); + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont \end{verbatim} \MCFgraph %----------------------------------------------------------------------------- \subsection{Gibberellin} \begin{verbatim} -beginfont("EN:Gibberellin","MW:346.37"); - fsize:=(60mm,20mm); - MC( - <18,?5,3=?7,5=?6[12],@8,160`1.3,&3, - 13=dl,6=wf,8=wb, - @5,40~zf`1,O,50,//O^180,&14~zb, - 2:/COOH,7://_,13:*/OH,8:/*OH, - 14:*/_,{1,4}:*/H^60 - ) +beginfont("EN:Gibberellin A3","MW:346.37"); + %---------------------------------------- + ": <18,?5,3=?7,5=?6[12],@8,160`1.3,&3, ", + ": 13=dl,6=wf,8=wb, ", + ": @5,40~zf`1,O,50,//O^180,&14~zb, ", + ": 2:/COOH,7://_,13:*/OH,8:/*OH, ", + ": 14:*/_,{1,4}:*/H^60 ") + %---------------------------------------- + fsize:=(50mm,18mm); + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont \end{verbatim} \MCFgraph @@ -1453,13 +1502,14 @@ endfont \subsection{Quinine} \begin{verbatim} beginfont("EN:Quinine","MW:324.42") - fsize:=(60mm,25mm); - MC( - <30,Ph,3=Ph,7:N,6:/O!, - @10,\,*/OH,/H~zf^-60,!, - |,?6,2:N,1:*/H^60,4:*/!!, - @2,165~zf,60,&5~zb - ) + %------------------------------- + ": <30,Ph,3=Ph,7:N,6:/O!, ", + ": @10,\,*/OH,/H~zf^-60,!, ", + ": |,?6,2:N,1:*/H^60,4:*/!!, ", + ": @2,165~zf,60,&5~zb ") + %------------------------------- + fsize:=(50mm,20mm); + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont \end{verbatim} \MCFgraph @@ -1486,33 +1536,45 @@ tag4:="fm"; > outputformat:="png"; hppp:=vppp:=0.1; > PNG output outputtemplate:="%j-%3c.png"; > %------------------------------------------------------------------------- -beginfont("N:1","EN:Ampicillin") > begin font(information) - MC(<45,?4,2:N,2=?5,-1:S, > begin MCF (1) - {3^45,4^-45}:/*H,1://O^15,5:/*COOH^-18,6:??, > - @4,75,NH,!,//O,!,/*NH,!,Ph) > end MCF +beginfont("EN:Ampicillin","MW:349.405", > information + %---------------------------------------- > + ": <45,?4,-3=?5,2:N,7:S, ", > mc1 + ": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ", > mc2 + ": @4,*\^15,NH,!,//O,!,/*NH2,!,Ph ") > mc3 + %---------------------------------------- > + if check_mc(mc)=0: MC(scantokens(mc)) fi > mc=mc1&mc2&mc3 endfont > end font %------------------------------------------------------------------------ -beginfont("N:2","EN:Cholesterol") > begin font(information) - MC(<30,?6,{-4,-2}=?6,-4=?5,7=dl, > begin MCF (2) - 1:*/OH,{4,12}:*/_^60,9:*/H^60, > - 10:/*H^180,{11,-1}:/*H^-60, > - @-1,17,/*_,!4,?!) > end MCF +beginfont("EN:Cholesterol","MW:386.65", >information + %---------------------------------------- > + ": <30,?6,{-4,-2}=?6,-4=?5,7=dl, ", > mc1 + ": 10:/*H^180,11:/*H^-60,17:/*H^-54, ", > mc2 + ": {4,12}:*/_^60, ", > mc3 + ": @-1,18,/*_,-60,!3,?! ") > mc4 + %---------------------------------------- > + if check_mc(mc)=0: MC(scantokens(mc)) fi > mc=mc1&mc2&mc3 endfont > end font %------------------------------------------------------------------------ -beginfont("N:3","EN:Limonin") > begin font(information) - MC(<30,?6,{-3,-4}=?6, > begin MCF (3) - -5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf, > - {13,15,17,20}:O,{3,12,21}://O, > - {4~wf^60,8~zf^60,18^35,18^-35}:/_, > - {1^60,5^180,16^60}:/*H, > - @14,\*,|,?5,{1,4}=dl,3:O) > end MCF +beginfont("EN:Limonin", > information + %----------------------------------------- > + ": <30,?6,{-3,-4}=?6, ", > mc1 + ": -5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf, ", > mc2 + ": {13,15,17,20}:O,{3,12,21}://O, ", > mc3 + ": {4~wf^60,8~zf^60,18^35,18^-35}:/_, ", > mc4 + ": {1^60,5^180,16^60}:/*H, ", > mc5 + ": @14,\*,|,?5,{1,4}=dl,3:O) ") > mc6 + %----------------------------------------- > + if check_mc(mc)=0: MC(scantokens(mc)) fi > mc=mc1 - mc6 endfont > end font %------------------------------------------------------------------------ -beginfont("N:4","EN:beta-carotene) > begin font(information) - MC(<30,?6,3=dl,{3,5^35,5^-35}:/_, > begin MCF (4) - @4,\,|,!18,{1,3,5,7,9,11,13,15,17}=dr, > - {3,7,12,16}:/_, > - |,?6,6=dl,2:??,6:/_) > end MCF +beginfont("EN:beta-carotene", > information + %------------------------------------------ > + ": <30,?6,3=dl,{3,5^35,5^-35}:/_, ", > mc1 + ": @4,\,|,!18,{1,3,5,7,9,11,13,15,17}=dr, ", > mc2 + ": {3,7,12,16}:/_, ", > mc3 + ": |,?6,6=dl,2:??,6:/_) ") > mc4 + %------------------------------------------ > + if check_mc(mc)=0: MC(scantokens(mc)) fi > mc=mc1 - mc4 endfont > end font %------------------------------------------------------------------------ bye @@ -1718,60 +1780,64 @@ M END \subsection{LuaTeX file example} %############################################################################ \begin{verbatim} -%-------------------------------------------------------------------- \documentclass{article} \usepackage{luamplib}% +\usepackage[T1]{fontenc}% +\usepackage{textcomp}% \mplibcodeinherit{enable}% \mplibverbatim{enable}% -\everymplib{if unknown Ph1: - input mcf2graph.mf; - mp_log_name:="temp-info.aux"; - sw_aux_out:=1; - fi}% -%-------------------------------------------------------------------- +\mplibnumbersystem{double}% +\everymplib{% + if unknown Ph1: input mcf2graph.mf; fi + sw_calc:=1; sw_fframe:=4; max_blength:=4.5mm; + defaultfont:="uhvr8r"; defaultsize:=8bp; defaultscale:=1; +}% \begin{document} \noindent% %-------------------------------------------------------------------- \begin{mplibcode} fsize:=(50mm,50mm); - beginfont("NO:1","EN:Limonin","MW:470.51") - MC(<30, - ?6,{-3,-4}=?6, - -5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf, - {13,15,17,20}:O,{3,12,21}://O, - {4~wf^60,8~zf^60,18^35,18^-35}:/_, - {1^60,5^180,16^60}:/*H, - @14,\*,|,?5,{1,4}=dl,3:O - ) + beginfont("NO:1","EN:Limonin","MW:470.51", + %---------------------------------------- + ": <30,?6,{-3,-4}=?6, ", + ": -5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf, ", + ": {13,15,17,20}:O,{3,12,21}://O, ", + ": {4~wf^60,8~zf^60,18^35,18^-35}:/_, ", + ": {1^60,5^180,16^60}:/*H, ", + ": @14,\*,|,?5,{1,4}=dl,3:O ") + %---------------------------------------- + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont \end{mplibcode}\\ %-------------------------------------------------------------------- \begin{mplibcode} fsize:=(80mm,50mm); - beginfont("NO:2","EN:beta-carotene","MW:536.87") - MC(<30, - ?6,3=dl,{3,5^35,5^-35}:/_, - @4,\,|,!18,{1,3,5,7,9,11,13,15,17}=dr, - {3,7,12,16}:/_, - |,?6,6=dl,{6,2^35,2^-35}:/_ - ) + beginfont("NO:2","EN:beta-carotene","MW:536.87", + %------------------------------------------ + ": <30,?6,3=dl,{3,5^35,5^-35}:/_, ", + ": @4,\,|,!18,{1,3,5,7,9,11,13,15,17}=dr, ", + ": {3,7,12,16}:/_, ", + ": |,?6,6=dl,{6,2^35,2^-35}:/_ ") + %------------------------------------------ + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont \end{mplibcode}\\ %-------------------------------------------------------------------- \begin{mplibcode} fsize:=(50mm,50mm); - beginfont("NO:3","EN:Gibberellin A3","MW:346.37"); - MC(<18,?5,3=?7,5=?6[12], - @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 - ) + beginfont("NO:3","EN:Gibberellin A3","MW:346.37", + %------------------------------------ + ": <18,?5,3=?7,5=?6[12], ", + ": @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 ") + %------------------------------------ + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont; -\end{mplibcode}\\ %-------------------------------------------------------------------- +\end{mplibcode}\\ \end{document} -%-------------------------------------------------------------------- \end{verbatim}% %############################################################################ %------------------------------------------------------------------------ @@ -1801,16 +1867,16 @@ endfont; %-------------------------------------------------------------------- \begin{document} \unitlength=1mm% -\INFO{F:mcf_man_soc,C:139,NO:1,mw:349.40462,fm:C16H19N3O4S,EN:Ampicillin}% -\INFO{F:mcf_man_soc,C:140,NO:2,mw:386.6532,fm:C27H46O,EN:Cholesterol}% +\INFO{F:mcf_man_soc,C:141,NO:1,mw:349.40462,fm:C16H19N3O4S,EN:Ampicillin}% +\INFO{F:mcf_man_soc,C:142,NO:2,mw:386.6532,fm:C27H46O,EN:Cholesterol}% \end{document} %-------------------------------------------------------------------- \end{verbatim}% %############################################################################ %------------------------------------------------------------------------ -\INFO{F:mcf_man_soc,C:139,NO:1,mw:349.40462,fm:C16H19N3O4S,EN:Ampicillin}% -\INFO{F:mcf_man_soc,C:140,NO:2,mw:386.6532,fm:C27H46O,EN:Cholesterol}% +\INFO{F:mcf_man_soc,C:141,NO:1,mw:349.40462,fm:C16H19N3O4S,EN:Ampicillin}% +\INFO{F:mcf_man_soc,C:142,NO:2,mw:386.6532,fm:C27H46O,EN:Cholesterol}% %------------------------------------------------------------------------ -\printindex +\texttt{\printindex} %------------------------------------------------------------------------ \end{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 index 71273591e41..473f7c635db 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 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 edf96d8953f..84731a7e018 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 2021.02.11 +% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2021.02.21 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -%%% mcf2graph.mf must be version 4.57 +%%% mcf2graph.mf must be version 4.58 \documentclass{article} %------------------------------------------------------------------------------ \usepackage{luamplib}% @@ -101,30 +101,32 @@ MC( \subsection{Chlorophyll a} \noindent% \begin{verbatim} -beginfont("NO:1","EN:Chlorophyll a","MW:893.49") +beginfont("NO:1","EN:Chlorophyll a","MW:893.49", + %----------------------------------------------------------------------- + ": <54,#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,##,||, ", + ": {2,9,15,20~zf}:/_,8:/!,14:/!!, ", + ": @4,\`1.45,Mg,&17,@-1,&11~vb,@-1,&23~vb, ", + ": @21,-6~wf,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_ ") + %----------------------------------------------------------------------- fsize:=(100mm,50mm); - MC( - <54,#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,##,||, - {2,9,15,20~zf}:/_,8:/!,14:/!!, - @4,\`1.45,Mg,&17,@-1,&11~vb,@-1,&23~vb, - @21,-6~wf,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_ - ) + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont \end{verbatim} %------------------------------------------------------------------------------------ \begin{mplibcode} -beginfont("NO:1","EN:Chlorophyll a","MW:893.49") +beginfont("NO:1","EN:Chlorophyll a","MW:893.49", + %----------------------------------------------------------------------- + ": <54,#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,##,||, ", + ": {2,9,15,20~zf}:/_,8:/!,14:/!!, ", + ": @4,\`1.45,Mg,&17,@-1,&11~vb,@-1,&23~vb, ", + ": @21,-6~wf,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_ ") + %----------------------------------------------------------------------- fsize:=(100mm,50mm); - MC( - <54,#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,##,||, - {2,9,15,20~zf}:/_,8:/!,14:/!!, - @4,\`1.45,Mg,&17,@-1,&11~vb,@-1,&23~vb, - @21,-6~wf,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_ - ) + if check_mc(mc)=0: MC(scantokens(mc)) fi ext( defaultscale:=0.8; label.lrt("FM(C): "&cal_FM,(0,h-5mm)); @@ -137,29 +139,32 @@ endfont \subsection{Gibberellin A3} \noindent% \begin{verbatim} -beginfont("NO:4","EN:Gibberellin A3","MW:346.37"); +beginfont("NO:4","EN:Gibberellin A3","MW:346.37", + %-------------------------------------------------------- + ": <18,?5,3=?7,5=?6[12],@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:*/_,{1,4}:*/H^60 ") + %-------------------------------------------------------- fsize:=(120mm,20mm); - MC( - <18,?5,3=?7,5=?6[12],@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:*/_,{1,4}:*/H^60 - ) + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont; \end{verbatim} %---------------------------------------------------------------------------- \begin{mplibcode} -beginfont("NO:4","EN:Gibberellin A3","MW:346.37"); +beginfont("NO:4","EN:Gibberellin A3","MW:346.37", + %-------------------------------------------------------- + ": <18,?5,3=?7,5=?6[12],@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:*/_,{1,4}:*/H^60 ") + %-------------------------------------------------------- fsize:=(120mm,20mm); - MC( - <18,?5,3=?7,5=?6[12],@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:*/_,{1,4}:*/H^60) - ext( - defaultscale:=0.8; - label.lrt("FM(C): "&cal_FM,(0,h-5mm)); - label.lrt("MW(C): "&cal_MW,(0,h-9mm)); - label.lrt("MW(D): "&inf_MW,(0,h-13mm)); - ) + if check_mc(mc)=0: MC(scantokens(mc)) fi + ext( + defaultscale:=0.8; + label.lrt("FM(C): "&cal_FM,(0,h-5mm)); + label.lrt("MW(C): "&cal_MW,(0,h-9mm)); + label.lrt("MW(D): "&inf_MW,(0,h-13mm)); + ) endfont; \end{mplibcode} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% @@ -167,60 +172,64 @@ endfont; \noindent% %---------------------------------------------------------------------------- \begin{verbatim} -beginfont("NO:5","EN:Erythromycin","MW:733.93"); +beginfont("NO:5","EN:Erythromycin","MW:733.93", + %------------------------------------------------------------------ + ": <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!, ", + ": @.$5,\*^30`1.7,O,!,|,?6`.7,6:O,5:/_,2:/OH,3:/N?! ") + %------------------------------------------------------------------ fsize:=(120mm,35mm); - MC( - <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!, - @.$5,\*^30`1.7,O,!,|,?6`.7,6:O,5:/_,2:/OH,3:/N?! - ) + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont; \end{verbatim} %---------------------------------------------------------------------------- \begin{mplibcode} -beginfont("NO:5","EN:Erythromycin","MW:733.93"); +beginfont("NO:5","EN:Erythromycin","MW:733.93", + %------------------------------------------------------------------ + ": <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!, ", + ": @.$5,\*^30`1.7,O,!,|,?6`.7,6:O,5:/_,2:/OH,3:/N?! ") + %------------------------------------------------------------------ fsize:=(120mm,35mm); - MC( - <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!, - @.$5,\*^30`1.7,O,!,|,?6`.7,6:O,5:/_,2:/OH,3:/N?! - ) - ext( - defaultscale:=0.8; - label.lrt("FM(C): "&cal_FM,(0,h-5mm)); - label.lrt("MW(C): "&cal_MW,(0,h-9mm)); - label.lrt("MW(D): "&inf_MW,(0,h-13mm)); - ) + if check_mc(mc)=0: MC(scantokens(mc)) fi + ext( + defaultscale:=0.8; + label.lrt("FM(C): "&cal_FM,(0,h-5mm)); + label.lrt("MW(C): "&cal_MW,(0,h-9mm)); + label.lrt("MW(D): "&inf_MW,(0,h-13mm)); + ) endfont; \end{mplibcode} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \subsection{Paclitaxel} \noindent% \begin{verbatim} -beginfont("EN:Paclitaxel","MW:853.918") +beginfont("EN:Paclitaxel","MW:853.918", + %--------------------------------------------------------------------- + ": ?6,5=dl,@3,#1,36,45,45,45,45,##,&5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O, ", + ": 4:??,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:*/OCO!>rl,12:/*OCO!^-15>lr ") + %--------------------------------------------------------------------- fsize:=(120mm,35mm); - MC( - ?6,5=dl,@3,#1,36,45,45,45,45,##,&5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O, - 4:??,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:*/OCO!>rl,12:/*OCO!^-15>lr - ) + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont \end{verbatim} %---------------------------------------------------------------------------- \begin{mplibcode} -beginfont("EN:Paclitaxel","MW:853.918") +beginfont("EN:Paclitaxel","MW:853.918", + %--------------------------------------------------------------------- + ": ?6,5=dl,@3,#1,36,45,45,45,45,##,&5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O, ", + ": 4:??,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:*/OCO!>rl,12:/*OCO!^-15>lr ") + %--------------------------------------------------------------------- fsize:=(120mm,35mm); - MC( - ?6,5=dl,@3,#1,36,45,45,45,45,##,&5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O, - 4:??,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:*/OCO!>rl,12:/*OCO!^-15>lr - ) + if check_mc(mc)=0: MC(scantokens(mc)) fi ext( defaultscale:=0.8; label.lrt("FM(C): "&cal_FM,(0,h-5mm)); -- cgit v1.2.3