texlive[63929] Master/texmf-dist/doc/metapost/mcf2graph: mcf2graph
commits+karl at tug.org
commits+karl at tug.org
Mon Jul 18 22:12:29 CEST 2022
Revision: 63929
http://tug.org/svn/texlive?view=revision&revision=63929
Author: karl
Date: 2022-07-18 22:12:29 +0200 (Mon, 18 Jul 2022)
Log Message:
-----------
mcf2graph (18jul22)
Modified Paths:
--------------
trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
trunk/Master/texmf-dist/doc/metapost/mcf2graph/README
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_code.pdf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_code.tex
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_library.mcf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mp
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG 2022-07-18 20:12:11 UTC (rev 63928)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG 2022-07-18 20:12:29 UTC (rev 63929)
@@ -1,6 +1,10 @@
*******************************************************************************
- Changelog of mcf2graph software package by Akira Yamaji 2022-06-12
+ Changelog of mcf2graph software package by Akira Yamaji 2022-07-18
*******************************************************************************
+[ver. 4.86 / 2022-07-18]
+ -fix bug in function mc_query()
+ -update mcf_library.mcf
+
[ver. 4.85 / 2022-06-12]
-fix bug in function mc_query()
-update mcf_library.mcf
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/README
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/README 2022-07-18 20:12:11 UTC (rev 63928)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/README 2022-07-18 20:12:29 UTC (rev 63929)
@@ -1,7 +1,7 @@
********************************************************************************
mcf2graph : Convert Molecular Coding Format to graphics with MetaPost
Author : Akira Yamaji
- version : 4.85 2022-06-12
+ version : 4.86 2022-07-18
E-mail : mcf2graph at gmail.com
Located at : http://www.ctan.org/pkg/mcf2graph
********************************************************************************
@@ -48,7 +48,7 @@
(11) >mpost -s ahlength=7 filename => output report file
4. License
- mcf2graph ver 4.84 Copyright (c) 2013-2022 Akira Yamaji
+ mcf2graph ver 4.86 Copyright (c) 2013-2022 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
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp 2022-07-18 20:12:11 UTC (rev 63928)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp 2022-07-18 20:12:29 UTC (rev 63929)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 4.85 Copyright (c) 2013-2022 Akira Yamaji
+% mcf2graph ver 4.86 Copyright (c) 2013-2022 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,
@@ -33,7 +33,7 @@
% Set output MOL file (V3000) : mpost -s ahlength=6 FILENAME
% Set output report : mpost -s ahlength=7 FILENAME
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-message "* This is mcf2graph ver 4.85 2022.06.12";
+message "* This is mcf2graph ver 4.86 2022.07.18";
tracingstats:=1; prologues:=3; warningcheck:=0;
%-------------------------------------------------------------------------------------------------
numeric save_num[],parts_com[][],parts_par[][],parts_cnt[],tbl_atom[],tbl_group[][],tbl_atom_wt[],
@@ -250,7 +250,7 @@
fi
%----------------------------------------------------------------------------------------
if scan_bit(sw_frame,Outside): draw_frame((0,0),fig_wd,fig_ht,thickness_frame);
- else: draw_corner((0,0),fig_wd,fig_ht,0.01);
+ else: draw_corner((0,0),fig_wd,fig_ht,0.004);
fi
if scan_bit(sw_frame,Inside):
draw_frame((margin_lr,margin_tb),fig_wd-2margin_lr,fig_ht-2margin_tb,thickness_frame);
@@ -316,10 +316,9 @@
endfor
fi
else:
- inf_num:=split_char(sS,";");
+ inf_num:=split_str(sS,";")(arg_s);
for i=1 upto inf_num:
- sI:=arg_s[i]; nA:=scan_char(":",sI,0,1);
- tag_a[i]:=substring(0,nA-1) of sI; var_a[i]:=substring(nA,length(sI)) of sI;
+ get_tag_var(arg_s[i])(tag_a[i],var_a[i]);
if t=tag_a[i]: if v=var_a[i]: f_match:=1; fi fi
endfor
fi
@@ -362,7 +361,7 @@
| :=mark_adress; || :=reset_adress; ##:=reset_length; _:=Me;
\:=0; \\:=zero_dm; *\:=zero_wf; \*:=zero_zf; *\*:=zero_wv;
let = ==op_equ; let : ==op_col; let ^==op_hat; let ~==op_til; let > ==op_lth; let `==op_bqu;
- def $==abs_adress enddef; def &$==&.$ enddef; def '==read_id enddef;
+ def $==abs_adress enddef; def &$==&.$ enddef; def '==read_id enddef;
def {==read_number( enddef; def CP == com_par enddef; def CA == com_par_adr enddef;
let }==); let @$==jump_atom_abs; let < ==rot_angle; let @==jump_atom; let &==cyc_atom;
let #==chg_length; let /==group_si; let //==group_dm; let */==group_wf; let /*==group_zf;
@@ -1343,16 +1342,12 @@
message "["&decimal(fig_num)&"]:"&inf_EN;
file_output:="temp-mc.aux";
if mc_length<100:
- nN:=scan_chars(mc,","); nL:=length(mc); nA:=0;
- forever:
- for i=nN downto 1:
- if at_char[i]<=nA+mc_length:
- printf substring(nA,at_char[i]) of mc; nA:=at_char[i]; exitif true; fi
- endfor
- if nL-nA<=mc_length: printf substring(nA,nL) of mc; exitif true; fi
- endfor
- else:
- for i=1 upto mc_row: printf (substring(0,mc_indent[i]) of blanks)&mc[i]; endfor fi
+ nN:=split_str(mc,",")(arg_s); nA:=0; temps:="";
+ for i=1 upto nN:
+ if i=nN: temps:=temps&arg_s[i]; printf temps;
+ ef at_char[i+1]-nA>mc_length: nA:=at_char[i]; printf temps&arg_s[i]&","; temps:="";
+ else: temps:=temps&arg_s[i]&","; fi endfor
+ else: for i=1 upto mc_row: printf (substring(0,mc_indent[i]) of blanks)&mc[i]; endfor fi
printf EOF;
enddef;
%=================================================================================================
@@ -1365,13 +1360,13 @@
vardef bond_config(expr n)=
if (n=wf)or(n=zb)or(n=bd): 1 ef (n=zf)or(n=wb)or(n=dt): 3 ef n=wv: 2 else: 0 fi enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-vardef STa(expr s,WT,MI)=
+vardef TA(expr s,WT,MI)=
str_cnt:=str_cnt+1; tbl_cnt:=tbl_cnt+1; parts_num:=parts_num+1;
parts_com[parts_num][1]:=_set_atom; parts_par[parts_num][1]:=str_cnt; parts_cnt[parts_num]:=1;
str_tbl[str_cnt]:=tbl_atom_str[tbl_cnt]:=s; tbl_atom[tbl_cnt]:=0;
tbl_atom_wt[tbl_cnt]:=WT; tbl_atom_mi[tbl_cnt]:=MI; parts_num enddef;
%-------------------------------------------------------------------------------------------------
-vardef STb(expr s)(text t)=
+vardef TB(expr s)(text t)=
str_cnt:=str_cnt+1; tbl_cnt:=tbl_cnt+1; parts_num:=parts_num+1;
parts_com[parts_num][1]:=_set_atom; parts_par[parts_num][1]:=str_cnt; parts_cnt[parts_num]:=1;
str_tbl[str_cnt]:=tbl_atom_str[tbl_cnt]:=s; tbl_atom[tbl_cnt]:=0;
@@ -1380,34 +1375,38 @@
%=================================================================================================
parts_int:=parts_emi_start; parts_num:=parts_emb_start;
%-------------------------------------------------------------------------------------------------
-C:= STa("C" ,12.0107, 12.0000000); H:= STa("H" , 1.00794, 1.00782503223);
-D:= STa("D" ,2.012, 2.01410177812); Ag:=STa("{Ag}",107.868, 106.905095);
-Al:=STa("{Al}",26.9815, 26.98153853); As:=STa("{As}",74.9216, 74.92159457);
-B:= STa("B" ,10.811, 11.00930536); Ba:=STa("{Ba}",137.33, 136.905816);
-Bi:=STa("{Bi}",208.9804, 208.980338); Br:=STa("{Br}",79.904, 78.9183376);
-Ca:=STa("{Ca}",40.078, 39.962590863); Cd:=STa("{Cd}",112.41, 110.904182);
-Cl:=STa("{Cl}",35.453, 34.968852); Co:=STa("{Co}",58.933194, 58.93319429);
-Cr:=STa("{Cr}",51.9961, 51.94050623); Cu:=STa("{Cu}",63.546, 62.92959772);
-F:= STa("F" ,18.9984, 18.99840316273); Fe:=STa("{Fe}",55.845, 55.93493633);
-Hg:=STa("{Hg}",200.59, 201.97064340); I:= STa("I" ,126.90447,126.9044719);
-K:= STa("K" ,39.0983, 38.9637064864); Li:=STa("{Li}",6.941, 7.0160034366);
-Mg:=STa("{Mg}",24.305, 23.985041697); Mn:=STa("{Mn}",54.938044, 54.93804391);
-N:= STa("N" ,14.0067, 14.00307400443); Na:=STa("{Na}",22.98977, 22.9897692820);
-Ni:=STa("{Ni}",58.693, 57.93534241); O:= STa("O" ,15.9994, 15.99491461957);
-P:= STa("P" ,30.973762, 30.97376199842); Pb:= STa("{Pb}",207.2, 205.974455);
-Pd:=STa("{Pd}",106.4, 107.905075);
-S:= STa("S" ,32.065, 31.9720711744); Sb:= STa("{Sb}",121.75, 120.90381);
-Se:=STa("{Se}",78.971, 79.9165218); Si:=STa("{Si}",28.0855, 27.97692653465);
-Sn:=STa("{Sn}",118.71, 119.90220163); Ti:=STa("{Ti}",47.867, 47.94794198);
-U:= STa("U", 238.0289, 238.05079); V:= STa("V", 50.9415, 50.943957);
-W:= STa("W", 183.85, 181.948225); Zn:=STa("{Zn}",65.409, 63.92914201);
+C:= TA("C" ,12.0107, 12.0000000); H:= TA("H" , 1.00794, 1.00782503223);
+D:= TA("D" ,2.012, 2.01410177812); Ag:=TA("{Ag}",107.868, 106.905095);
+Al:=TA("{Al}",26.9815, 26.98153853); As:=TA("{As}",74.9216, 74.92159457);
+B:= TA("B" ,10.811, 11.00930536); Ba:=TA("{Ba}",137.33, 136.905816);
+Be:=TA("{Be}",9.01218, 0);
+Bi:=TA("{Bi}",208.9804, 208.980338); Br:=TA("{Br}",79.904, 78.9183376);
+Ca:=TA("{Ca}",40.078, 39.962590863); Cd:=TA("{Cd}",112.41, 110.904182);
+Cl:=TA("{Cl}",35.453, 34.968852); Co:=TA("{Co}",58.933194, 58.93319429);
+Cr:=TA("{Cr}",51.9961, 51.94050623); Cs:=TA("{Cs}",132.905, 132.90543);
+Cu:=TA("{Cu}",63.546, 62.92959772);
+F:= TA("F" ,18.9984, 18.99840316273); Fe:=TA("{Fe}",55.845, 55.93493633);
+Hg:=TA("{Hg}",200.59, 201.97064340); I:= TA("I" ,126.90447,126.9044719);
+K:= TA("K" ,39.0983, 38.9637064864); Li:=TA("{Li}",6.941, 7.0160034366);
+Mg:=TA("{Mg}",24.305, 23.985041697); Mn:=TA("{Mn}",54.938044, 54.93804391);
+Mo:=TA("{Mo}",95.95, 0);
+N:= TA("N" ,14.0067, 14.00307400443); Na:=TA("{Na}",22.98977, 22.9897692820);
+Ni:=TA("{Ni}",58.693, 57.93534241); O:= TA("O" ,15.9994, 15.99491461957);
+P:= TA("P" ,30.973762, 30.97376199842); Pb:=TA("{Pb}",207.2, 205.974455);
+Pd:=TA("{Pd}",106.4, 107.905075);
+S:= TA("S" ,32.065, 31.9720711744); Sb:=TA("{Sb}",121.75, 120.90381);
+Se:=TA("{Se}",78.971, 79.9165218); Si:=TA("{Si}",28.0855, 27.97692653465);
+Sn:=TA("{Sn}",118.71, 119.90220163); Ta:=TA("{Ta}",180.948, 0);
+Te:=TA("{Te}",127.60, 129.90623); Ti:=TA("{Ti}",47.867, 47.94794198);
+U:= TA("U", 238.0289, 238.05079); V:= TA("V", 50.9415, 50.943957);
+W:= TA("W", 183.85, 181.948225); Zn:=TA("{Zn}",65.409, 63.92914201);
tbl_atom_end:=tbl_cnt;
%-------------------------------------------------------------------------------------------------
-CH3:=STb("C{H_3_}")(C,H,H,H); CH2:=STb("C{H_3_}")(C,H,H); CN:=STb("CN")(C,N); OH:=STb("OH")(O,H);
-COOH:=STb("COOH")(C,O,O,H); COONa:=STb("COO{Na}")(C,O,O,Na); CHO:=STb("CHO")(C,H,O);
-NO:=STb("NO")(N,O); NO2:=STb("N{O_2_}")(N,O,O); NH2:=STb("N{H_2_}")(N,H,H);
-SH:= STb("SH")(S,H); SO2H:=STb("S{O_2_}H")(S,O,O,H); SO3H:=STb("S{O_3_}H")(S,O,O,O,H);
-ONa:=STb("O{Na}")(O,Na); SO3Na:=STb("S{O_3_}{Na}")(S,O,O,O,Na);
+CH3:=TB("C{H_3_}")(C,H,H,H); CH2:=TB("C{H_3_}")(C,H,H); CN:=TB("CN")(C,N); OH:=TB("OH")(O,H);
+COOH:=TB("COOH")(C,O,O,H); COONa:=TB("COO{Na}")(C,O,O,Na); CHO:=TB("CHO")(C,H,O);
+NO:=TB("NO")(N,O); NO2:=TB("N{O_2_}")(N,O,O); NH2:=TB("N{H_2_}")(N,H,H);
+SH:= TB("SH")(S,H); SO2H:=TB("S{O_2_}H")(S,O,O,H); SO3H:=TB("S{O_3_}H")(S,O,O,O,H);
+ONa:=TB("O{Na}")(O,Na); SO3Na:=TB("S{O_3_}{Na}")(S,O,O,O,Na);
%-------------------------------------------------------------------------------------------------
tbl_group_end:=tbl_cnt; parts_atom_end:=parts_num;
%=================================================================================================
@@ -1598,8 +1597,7 @@
for i=1 upto filter_cnt: filter_p[i]:=0; endfor
sort_s:="";
for i=1 upto info_cnt:
- nA:=scan_char(":",arg_s[i],0,1);
- sT:=substring(0,nA-1) of arg_s[i]; sV:=substring(nA,length(arg_s[i])) of arg_s[i];
+ get_tag_var(arg_s[i])(sT,sV);
if sT=key_s: if is_num(sV)=1: sort_s:=fix_num(sV); else: sort_s:=sV; fi fi
for j=1 upto filter_cnt:
if filter_tag[j]=sT:
@@ -1617,7 +1615,7 @@
if filter_n=1: if key_s<>"": sort_tbl[unit_cnt]:=sort_s; fi unit_cnt:=unit_cnt+1; fi
ef subc(1,temps)="+": f_mcf:=1; mc_row:=1;
ef subc(1,temps)<>"%":
- if f_mcf=1: mc_row:=mc_row+1; else: info_cnt:=split_char(temps,";"); fi fi
+ if f_mcf=1: mc_row:=mc_row+1; else: info_cnt:=split_str(temps,";")(arg_s); fi fi
fi
endfor
unit_cnt:=unit_cnt-1;
@@ -1671,10 +1669,11 @@
ef d=-1: for i=length(s) downto n: if subc(i,s)<>c: nN:=i; fi exitif nN>0; endfor fi nN
enddef;
%-------------------------------------------------------------------------------------------------
-vardef scan_chars(expr s,c)=
- nN:=0; for i=1 upto length(s): if subc(i,s)=c: at_char[incr nN]:=i; fi endfor nN enddef;
+vardef split_str(expr s,c)(suffix v)=
+ at_char[0]:=nN:=0; for i=1 upto length(s): if subc(i,s)=c: at_char[incr nN]:=i; fi endfor
+ nN:=nN+1; at_char[nN]:=length(s)+1;
+ for i=1 upto nN: v[i]:=substring (at_char[i-1],at_char[i]-1) of s; endfor nN enddef;
%-------------------------------------------------------------------------------------------------
-vardef split_char(expr s,c)=
- nN:=scan_chars(s,c)+1; at_char[0]:=0; at_char[nN]:=length(s)+1;
- for i=1 upto nN: arg_s[i]:=substring (at_char[i-1],at_char[i]-1) of s; endfor nN enddef;
+vardef get_tag_var(expr s)(suffix t,v)=
+ nN:=scan_char(":",s,0,1); t:=substring(0,nN-1) of s; v:=substring(nN,length(s)) of s; enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_code.pdf
===================================================================
(Binary files differ)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_code.tex
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_code.tex 2022-07-18 20:12:11 UTC (rev 63928)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_code.tex 2022-07-18 20:12:29 UTC (rev 63929)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Print out mcf data list by A.Yamaji 2022.06.12
+% Print out mcf data list by A.Yamaji 2022.07.18
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ** mcf2graph.mf must be version 4.85
+% ** mcf2graph.mf must be version 4.86
% ** use mcf_library.mcf
% ** typeset by LuaLaTeX(luamplib)
\documentclass{article}
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp 2022-07-18 20:12:11 UTC (rev 63928)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp 2022-07-18 20:12:29 UTC (rev 63929)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format by Akira Yamaji 2022.06.12
+% Molecular Coding Format by Akira Yamaji 2022.07.18
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph; %%% it must be version 4.85
+input mcf2graph; %%% it must be version 4.86
message "* mcf_exa_soc 2022.06.12";
message "";
%------------------------------------------------------------------------------
@@ -23,10 +23,11 @@
%%%%mc_query("Cat=biological","MW<200","s:MW");
%%%%mc_query("Cat=biological","MW<110.0","s:EN");
%%%%mc_query("Cat=biological","MW>=150","MW<=200","a:EN");
-%%%%mc_query("Cat=biological","MW>=150","MW<=200","d:MW");
+%%%%mc_query("Cat=biological","MW>=100","MW<=250","a:MW");
%******************************************************************************
fsize:=(35mm,24mm);
max_blength:=4mm;
+mc_length:=20;
%------------------------------------------------------------------------------
%%%% beginfigm("t:EN","v:Caffeine") % select EN=Caffeine
forever:
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
===================================================================
(Binary files differ)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex 2022-07-18 20:12:11 UTC (rev 63928)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex 2022-07-18 20:12:29 UTC (rev 63929)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF Typeset with LuaLaTeX(luamplib) by A.Yamaji 2022.06.12
+% Example of MCF Typeset with LuaLaTeX(luamplib) by A.Yamaji 2022.07.18
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ** mcf2graph.mf must be version 4.85
+% ** mcf2graph.mf must be version 4.86
% ** use mcf_library.mcf
% ** typeset by LuaLaTeX(luamplib)
\documentclass{article}
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_library.mcf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_library.mcf 2022-07-18 20:12:11 UTC (rev 63928)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_library.mcf 2022-07-18 20:12:29 UTC (rev 63929)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% molecular library file mcf_library.mcf by Akira Yamaji 2022.06.12
+% molecular library file mcf_library.mcf by Akira Yamaji 2022.07.18
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% tag1:var1;tag2:var2;tag3:var3 .....
% first character of line "%" comment out
@@ -8,7 +8,7 @@
% Cat = Category
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%==============================================================================
-% molecular data for mcf_example.tex EXA=1(155) EXA=2(7)
+% molecular data for mcf_example.tex EXA:1[155] EXA:2[7]
%==============================================================================
Cat:biological;EN:Adenine;MW:135.13;EXA:1
+
@@ -318,6 +318,42 @@
+
<30,Ph,3=?6,7:O,{1,2,5}:/_,8:/*_^60,6:/OH, at 8,\,|,!12,{4,8}:/*_,12:/_
+------------------------------------------------------------------------------
+Cat:biological;EN:Thiamine;MW:265.35;EXA:1
++
+<30,Ph,4:/NH2, at 3,\`1,!,<-12,?5,{-1,-4}=dl,{1,5,8}:N,11:S,{6,9}:/_,
+ @-3,\^-12,!2,OH,8:p_^72
++------------------------------------------------------------------------------
+Cat:biological;EN:Riboflavin;MW:376.37;EXA:1
++
+<30,Ph,{3,9}=?6,{8,16}=dl,{7,10,14}:N,12:NH,{11,13}://O,{1,6}:/_,
+ @10,\`1.5,!,*/OH,!,/*OH,!,*/OH,!2,OH
++------------------------------------------------------------------------------
+Cat:biological;EN:Nicotinic acid;MW:123.11;EXA:1
++
+<30,Ph,2:N,4:/COOH
++------------------------------------------------------------------------------
+Cat:biological;EN:Nicotinamide;MW:122.12;EXA:1
++
+<30,Ph,2:N,4:/CONH2
++------------------------------------------------------------------------------
+Cat:biological;EN:Pantothenic acid;MW:219.23;EXA:1
++
+<30,OH,!8,COOH,3:??,4^35:/*H,4^-20:*/OH,5://O,6:NH
++------------------------------------------------------------------------------
+Cat:biological;EN:Pyridoxine;MW:169.18;EXA:1
++
+<30,Ph,2:N,3:/_,4:/OH,{5,6}:/!OH
++------------------------------------------------------------------------------
+Cat:biological;EN:Biotin;MW:244.31;EXA:1
++
+<18,?5,4=?5,2:S,{6,8}:NH,7://O,{4^-54,5^54}:*/H,
+ @3,\*^-12,!4,COOH
++------------------------------------------------------------------------------
+Cat:biological;EN:Folic acid;MW:441.3975;EXA:1
++
+<30,?6,3=Ph2,1=dl,{2,7,10}:N,6:NH,5://O,1:/NH2,
+ @9,\,!,NH,!,Ph, at -3,\,//O,!,NH,!,/*COOH,!3,COOH
++------------------------------------------------------------------------------
Cat:biological;EN:Carotene;MW:536.8726;EXA:1
+
<30,?6,4=dl,3:??,5:/_,
@@ -339,11 +375,6 @@
+
<30,Ph,1:/OH,6:/O!, at 4,\,!,NH,!,//O,!7,?!,-3=dl
+------------------------------------------------------------------------------
-Cat:biological;EN:Thiamine;MW:300.81;EXA:1
-+
-<30,Ph,4:/NH2, at 3,\`1,!,<-12,?5,{-1,-4}=dl,{1,5,8}:N,11:S,{6,9}:/_,
- @-3,\,!2,OH,8:p_^72, at 8,@(3.5,1.5),Cl,n_^15
-+------------------------------------------------------------------------------
Cat:biological;EN:Gibberellin A3;MW:346.379;EXA:1
+
<18,?5,3=?7,5=?6[12], at 8,160`1.3,&3,13=dl,6=wf,8=wb,
@@ -354,11 +385,6 @@
<30,?6,{-4,-2}=?6,-4=?5,7=dl,
1:*/OH,{4,12}:*/_^60,{9'^60,10^180,11^-60,-1^-60}:/*H, at -1,17,/*_,!4,?!
+------------------------------------------------------------------------------
-Cat:biological;EN:Riboflavin;MW:376.37;EXA:1
-+
-<30,Ph,{3,9}=?6,{8,16}=dl,{7,10,14}:N,12:NH,{11,13}://O,{1,6}:/_,
- @10,\`1.5,!,*/OH,!,/*OH,!,*/OH,!2,OH
-+------------------------------------------------------------------------------
Cat:biological;EN:Resveratrol;MW:228.24;EXA:1
+
<30,Ph, at 4,\,!!,!,Ph,{2,6,-3}:/OH
@@ -382,6 +408,31 @@
{4,11,17,23}:N,{1~zf,9,15,21}:/_,14:/!,20:/!!,25:/*COO!,26://O,
@2,*\^-6,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_
+------------------------------------------------------------------------------
+Cat:biological;EN:Alizarin;MW:240.21;EXA:1
++
+<30,Ph,3=?6,-3=Ph2,{7,10}://O,{13,14}:/OH
++------------------------------------------------------------------------------
+Cat:biological;EN:Indigo;MW:262.26;EXA:1
++
+<30,Ph,3=?5, at -2,\\,?5,-3=Ph2,{7,14}:NH,{9,11}://O
++------------------------------------------------------------------------------
+Cat:biological;EN:6,6'-dibromoindigo;MW:420.0549;EXA:1
++
+<30,Ph,3=?5, at -2,\\,?5,-3=Ph2,{7,14}:NH,{9,11}://O,{1,-2}:/Br
++------------------------------------------------------------------------------
+Cat:biological;EN:Carminic Acid;MW:492.39;EXA:1
++
+<30,Ph,3=?6,-3=Ph2,{7,10}://O,{2,5,6,13}:/OH,11:/_,12:/COOH,
+ @1,\~wb`1,?6,-5:O,{-1,-2',-3}:/*OH,-4:*/!OH
++------------------------------------------------------------------------------
+Cat:biological;EN:Curcumin;MW:368.38;EXA:1
++
+<30,Ph, at 3,\,!7,Ph,{8,13}=dr,{9,11}://O,{6,-3}:/OH,{5,-4}:/O!
++------------------------------------------------------------------------------
+Cat:biological;EN:Berberine;MW:336.36;EXA:1
++
+<30,Ph,3=Ph,-3=?6,-2=Ph2,-3=?5,8:N,8:p_^60,{-1,-3}:O,{1>vt,2}:/!OH
++------------------------------------------------------------------------------
%==============================================================================
Cat:biological;EN:Apigenin;MW:270.24;EXA:-
+
@@ -871,7 +922,7 @@
17:/_,19:/*_, at 18,\,O,!,?6`.7,-1:O,#.5,-2:*/_,-4:*/O!,##,
@-3,\,O,60,?6`.7,-5:O,#.5,-4:*/_,-3:/*NH!,-2:*/O!
+------------------------------------------------------------------------------
-Cat:antibiotics;EN:Spinosad;MW:731.968;EXA:1
+Cat:antibiotics;EN:Spinosad;MW:731.968;EXA:2
+
<30,#1,<-120,60,60,-60,60,60,60,-60,60,60,60,-60,&1,##,
5=?5,-1=dl,{-2^60,-3^-35}:/*H,-3=?6,-4=dl,
@@ -948,11 +999,11 @@
-4:/*O!, at -6,-30,O,!,//O,!,@$11,\,!!,N,!,|,?6,1:N,4:N!
+------------------------------------------------------------------------------
%==============================================================================
-Cat:pesticide;EN:BHC;MW:290.83;EXA:1
+Cat:pesticide;EN:BHC;MW:290.83;EXA:-
+
<30,?6,{1,2',3,4,5',6}:*/Cl
+------------------------------------------------------------------------------
-Cat:pesticide;EN:pp-DDT;MW:354.49;EXA:1
+Cat:pesticide;EN:pp-DDT;MW:354.49;EXA:-
+
<30,Ph,6:/Cl, at 3,\,/CCl3,!,Ph,-3:/Cl
+------------------------------------------------------------------------------
@@ -976,7 +1027,7 @@
+
<30,Ph,{1,5}:/_, at 3,\,O,!,//O,!,NH,!
+------------------------------------------------------------------------------
-Cat:pesticide;EN:Acrinathrin;MW:541.45;EXA:1
+Cat:pesticide;EN:Acrinathrin;MW:541.45;EXA:-
+
<-30,?3,{2^-35,2'^35}:*/_,
@1,\,!~dl,!,//O,!,O,!,/CF3,!,CF3, at 3,\,//O,!,O,!,/CN,!,Ph,-4:/OPh>rl
@@ -1049,7 +1100,7 @@
+
<-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,{2,4}:N,5:/!,3:/O!2
+------------------------------------------------------------------------------
-Cat:pesticide;EN:Endrin;MW:380.91;EXA:1
+Cat:pesticide;EN:Endrin;MW:380.91;EXA:-
+
<30,?6`1.3,3=?6,6=dl,9=?3,-1:O,
@2,210~wf`1.5,&5~wb, at 7,210~zf`1.5,&10~zb,{1,2,5,6,12^-210,12^-150}:/Cl
@@ -1863,14 +1914,6 @@
+
<30,Ph, at 5,\,O,!,Ph,-1:/F, at 10,\,!3,Si,??,!,Ph,-3:/O!2
+------------------------------------------------------------------------------
-Cat:pesticide;EN:Spinosad;MW:731.968;EXA:2
-+
-<30,#1,<-120,60,60,-60,60,60,60,-60,60,60,60,-60,&1,##,
- 5=?5,-1=dl,{-2^60,-3^-35}:/*H,-3=?6,-4=dl,{-1^35,-2'^-60}:*/H,-2=?5,
- 2:O,{3^15,7^-28}://O, 1:/!,
- @-2,\*,O,66,?6,-1:O,-2:/_,{-3,-4,-5}:/O!,8:*/_,5^-65:*/H,
- @9,\*,O,!,|,?6,2:O,3:/_,-3:/N?!
-+------------------------------------------------------------------------------
Cat:pesticide;EN:Di-allate;MW:270.212;EXA:-
+
<-30,!?!,N,!,//O,!,S,!2,!!,!,Cl,3:/?!,7:/Cl
@@ -2051,7 +2094,7 @@
+
<30,Ph,3=?6,8=dl,7:N,9:NH,6:/S!3,8:/NH2
+------------------------------------------------------------------------------
-Cat:antibacterial;EN:Sulfapyrizine;MW:249.288;EXA:1
+Cat:antibacterial;EN:Sulfapyrizine;MW:249.288;EXA:-
+
<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,6:N
+------------------------------------------------------------------------------
@@ -2064,11 +2107,11 @@
+
<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{2,6}:N,3:/_
+------------------------------------------------------------------------------
-Cat:antibacterial;EN:Trimethoprim;MW:290.323;EXA:1
+Cat:antibacterial;EN:Trimethoprim;MW:290.323;EXA:-
+
<30,Ph,{1,5}:N,{2,6}:/NH2, at 3,\,!,|,Ph,{3,4,5}:/O!
+------------------------------------------------------------------------------
-Cat:antibacterial;EN:Ofloxacin;MW:361.373;EXA:1
+Cat:antibacterial;EN:Ofloxacin;MW:361.373;EXA:-
+
<30,Ph,{3,(2,7)}=?6,9=dl,7:N,11:O,
6:/F,9:/COOH,10://O,13:/_, at 1,\,|,?6,{1,4}:N,4:/_
@@ -2081,12 +2124,12 @@
+
<30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O, at 1,\,|,?6,{1,4}:N,4:/!
+------------------------------------------------------------------------------
-Cat:antibacterial;EN:Danofloxacin;MW:357.385;EXA:1
+Cat:antibacterial;EN:Danofloxacin;MW:357.385;EXA:-
+
<30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O,
@1,\,|,?6, at 2,-200`1.1,&5,{1,4}:N,4:*/_
+------------------------------------------------------------------------------
-Cat:antibacterial;EN:Ormetoprim;MW:274.324;EXA:1
+Cat:antibacterial;EN:Ormetoprim;MW:274.324;EXA:-
+
<30,Ph,{1,5}:N,{2,6}:/NH2, at 3,\,!,|,Ph,2:/_,{4,5}:/O!
+------------------------------------------------------------------------------
@@ -2094,7 +2137,7 @@
+
<30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{2,4}:N,{3,5}:/_
+------------------------------------------------------------------------------
-Cat:antibacterial;EN:Orbifloxacin;MW:395.382;EXA:1
+Cat:antibacterial;EN:Orbifloxacin;MW:395.382;EXA:-
+
<30,Ph,-4=?6,9=dl,7:N,{2,5,6}:/F,7:/?3,9:/COOH,10://O,
@1,\,|,?6,1:N,{3,5}:*/_,4:NH
@@ -2107,7 +2150,7 @@
+
<30,Ph,3=?6,9=dl,7:N,6:/F,9:/COOH,10://O, at 1,\,?6,-6:N,-3:NH, at 7,\,Ph,-3:/F
+------------------------------------------------------------------------------
-Cat:antibacterial;EN:Difloxacin;MW:399.398;EXA:1
+Cat:antibacterial;EN:Difloxacin;MW:399.398;EXA:-
+
<30,Ph,-4=?6,9=dl,7:N,6:/F,9:/COOH,10://O, at 1,\,|,?6,{1,4}:N,4:/_,
||, at 7,\,Ph,-3:/F
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mp
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mp 2022-07-18 20:12:11 UTC (rev 63928)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mp 2022-07-18 20:12:29 UTC (rev 63929)
@@ -1,9 +1,9 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% MCF file for mcf_manual.tex by Akira.Yamaji 2022.06.12
+% MCF file for mcf_manual.tex by Akira.Yamaji 2022.07.18
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph; %% it must be version 4.85
+input mcf2graph; %% it must be version 4.86
% ** use library file 'mcf_library.mcf'
-message "mcf_man_soc 2022.06.12"; message "";
+message "mcf_man_soc 2022.07.18"; message "";
%------------------------------------------------------------------------
sw_mframe:=0;
sw_expand:=0;
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
===================================================================
(Binary files differ)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex 2022-07-18 20:12:11 UTC (rev 63928)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex 2022-07-18 20:12:29 UTC (rev 63929)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format manual by Akira Yamaji 2022.06.12
+% Molecular Coding Format manual by Akira Yamaji 2022.07.18
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
%%%\usepackage{graphicx}
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
===================================================================
(Binary files differ)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex 2022-07-18 20:12:11 UTC (rev 63928)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex 2022-07-18 20:12:29 UTC (rev 63929)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2022.06.12
+% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2022.07.18
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ** mcf2graph.mp must be version 4.85
+% ** mcf2graph.mp must be version 4.86
% ** use mcf_library.mcf
\documentclass{article}
%------------------------------------------------------------------------------
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