texlive[44468] Master/texmf-dist: mcf2graph (5jun17)
commits+karl at tug.org
commits+karl at tug.org
Tue Jun 6 01:09:24 CEST 2017
Revision: 44468
http://tug.org/svn/texlive?view=revision&revision=44468
Author: karl
Date: 2017-06-06 01:09:24 +0200 (Tue, 06 Jun 2017)
Log Message:
-----------
mcf2graph (5jun17)
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/mcf_exa_soc.mf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
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
trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG 2017-06-05 23:09:09 UTC (rev 44467)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG 2017-06-05 23:09:24 UTC (rev 44468)
@@ -1,6 +1,20 @@
*******************************************************************************
- Changelog of mcf2graph software package by Akira Yamaji 2017-05-03
+ Changelog of mcf2graph software package by Akira Yamaji 2017-06-04
*******************************************************************************
+[ver. 4.23 / 2017-06-04]
+ -change syntax n*,n\
+ n* => n:@
+ n\ => n:\
+ -update MCF syntax manual
+
+[ver. 4.22 / 2017-05-27]
+ -change syntax @(),$()
+ @(a,b,...)c => {a,b,...}:c
+ $(a,b,...)c => {a,b,...}=c
+ -improve function ext()
+ add variable Bs[],Be[]
+ -update MCF syntax manual
+
[ver. 4.21 / 2017-05-03]
-change brock making commands
'{','}' => '|<','>|'
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/README
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/README 2017-06-05 23:09:09 UTC (rev 44467)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/README 2017-06-05 23:09:24 UTC (rev 44468)
@@ -1,7 +1,7 @@
********************************************************************************
mcf2graph : Convert Molecular Coding Format to graphics with METAFONT/METAPOST
Author : Akira Yamaji
- version : 4.21 2017-05-03
+ version : 4.23 2017-06-04
E-mail : mcf2graph at gmail.com
Located at : http://www.ctan.org/pkg/mcf2graph
********************************************************************************
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf 2017-06-05 23:09:09 UTC (rev 44467)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf 2017-06-05 23:09:24 UTC (rev 44468)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2017.05.03
+% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2017.06.04
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf; %%% it must be version 4.21 or later
+input mcf2graph.mf; %%% it must be version 4.23 or later
%-------------------------------------------------------------------------
font_wd:=33mm;
font_ht:=24mm;
@@ -29,23 +29,23 @@
%%%% outputformat:="png"; hppp:=vppp:=0.1; outputtemplate:="%j-%3c.png";
%***************************************************************************
beginfont("EN:Acetamiprid","MW:222.676")
- MCf(<30,Ph,2:N,1:/Cl,4\,!,N,/_,!,/_,!!,N,!,CN)
+ MCf(<30,Ph,2:N,1:/Cl,4:\,!,N,/_,!,/_,!!,N,!,CN)
endfont
%***************************************************************************
beginfont("EN:Imidacloprid","MW:255.662")
- MCf(<30,Ph,1:N,6:/Cl,3\,!,|,?5,2=dl,1:N,3:N,2\,NH,!,NO2)
+ MCf(<30,Ph,1:N,6:/Cl,3:\,!,|,?5,2=dl,1:N,3:N,2:\,NH,!,NO2)
endfont
%***************************************************************************
beginfont("EN:Thiamethoxam","MW:291.71")
- MCf(<30,?6,@(4,6)N,2:O,6:/_,5\\,N,!,NO2,4\,!,|,?5,$(1,3)d,3:N,5:S,4:/Cl)
+ MCf(<30,?6,{4,6}:N,2:O,6:/_,5:\\,N,!,NO2,4:\,!,|,?5,{1,3}=dl,3:N,5:S,4:/Cl)
endfont
%***************************************************************************
beginfont("EN:Tebufenozide","MW:352.478")
- MCf(<30,Ph,6:/!,3\,//O,!,NH,!,N,/tBu,!,//O,!,|,Ph,@(3,5)/_)
+ MCf(<30,Ph,6:/!,3:\,//O,!,NH,!,N,/tBu,!,//O,!,|,Ph,{3,5}:/_)
endfont
%***************************************************************************
beginfont("EN:Pyridaphenthion","MW:340.334")
- MCf(<-30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,?6,$(1,5)dl,@(2,3)N,4://O,3:/Ph)
+ MCf(<-30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,?6,{1,5}=dl,{2,3}:N,4://O,3:/Ph)
endfont
%***************************************************************************
beginfont("EN:Fenitrothion","MW:277.231")
@@ -53,233 +53,235 @@
endfont
%***************************************************************************
beginfont("EN:Permethrin","MW:391.288")
- MCf(<-30,?3,2^-35:*/_,2^35:/*_,1\,!!,/Cl,!,Cl,
- 3\,//O,!,O,!2,|,Ph,3\,O,-60,Ph)
+ MCf(<-30,?3,2^-35:*/_,2^35:/*_,1:\,!!,/Cl,!,Cl,
+ 3:\,//O,!,O,!2,|,Ph,3:\,O,-60,Ph)
endfont
%***************************************************************************
beginfont("EN:Bensultap","MW:431.598")
- MCf(<30,Ph,4\,SOO,!,S,!2,N,/iPr,!2,S,!,SOO,!,Ph)
+ MCf(<30,Ph,4:\,SOO,!,S,!2,N,/iPr,!2,S,!,SOO,!,Ph)
endfont
%***************************************************************************
beginfont("EN:Azoxystorbin","MW:403.394")
- MCf(<30,Ph,2:/CN,3\,O,!,|,Ph,@(4,6)N,3\,O,!,|,Ph,2\,/COO!,!!,!,O,!)
+ MCf(<30,Ph,2:/CN,3:\,O,!,|,Ph,{4,6}:N,3:\,O,!,|,Ph,2:\,/COO!,!!,!,O,!)
endfont
%***************************************************************************
beginfont("EN:Isoprothiolane","MW:290.392")
- MCf(<30,!,/_,!,O,!,//O,|,!2,//O,!,O,!,/_,!,2\\,|,?5,@(2,5)S)
-endfont
-%***************************************************************************
+ MCf(<30,!,/_,!,O,!,//O,|,!2,//O,!,O,!,/_,!,2:\\,|,?5,{2,5}:S)
+endfont%***************************************************************************
beginfont("EN:Etridiazole","MW:247.518")
- MCf(<18,?5,$(1,3)d,@(2,4)N,5:S,1:/O!2,3:/CCl3)
+ MCf(<18,?5,{1,3}=dl,{2,4}:N,5:S,1:/O!2,3:/CCl3)
endfont
%***************************************************************************
beginfont("EN:Oxine-Copper","MW:351.852")
- MCf(Ph,4:N,5=Ph,-4\,O,-60,<90,Cu,-90,O,60,|,Ph,5=Ph,10:N,
- ||,4*,&12~vf,23*,&12~vf)
+ MCf(Ph,4:N,5=Ph,-4:\,O,-60,<90,Cu,-90,O,60,|,Ph,5=Ph,10:N,
+ ||,4:@,&12~vf,23:@,&12~vf)
endfont
%***************************************************************************
beginfont("EN:Captan","MW:300.578")
- MCf(<12,?6,6=d,3=?5,8:N,@(7,9)//O,8\,S,!,CCl3)
+ MCf(<12,?6,6=dl,3=?5,8:N,{7,9}://O,8:\,S,!,CCl3)
endfont
%***************************************************************************
beginfont("EN:Chlorothalonil","MW:265.902")
- MCf(<30,Ph,@(1,2,4,6)/Cl,@(3,5)/CN)
+ MCf(<30,Ph,{1,2,4,6}:/Cl,{3,5}:/CN)
endfont
%***************************************************************************
beginfont("EN:Tetraconazole","MW:372.145")
MCf(<-6,
- ?5,$(2,5)d,@(1,2,4)N,4\,!3,O,!,/F^35,/F^-35,!,CF2,7\,|,Ph,@(4,6)/Cl)
+ ?5,{2,5}=dl,{1,2,4}:N,4:\,!3,O,!,/F^35,/F^-35,!,CF2,
+ 7:\,|,Ph,{4,6}:/Cl)
endfont
%***************************************************************************
beginfont("EN:Endosulfan","MW:406.904");
- MCf(<26,?7,7=?6[13],11*,208~wf`1.45,&8~wb,10=d,@(3,5)O,4:S,4://O,
- @(8,9,10,11,12^-210,12^-150)/Cl)
+ MCf(<26,?7,7=?6[13],11:@,208~wf`1.45,&8~wb,10=d,{3,5}:O,4:S,4://O,
+ {8,9,10,11,12^-210,12^-150}:/Cl)
endfont;
%***************************************************************************
beginfont("EN:Flutolanil","MW:323.315")
- MCf(<30,Ph,2:/CF3,3\,//O,!,NH,!,|,Ph,6:/OiPr)
+ MCf(<30,Ph,2:/CF3,3:\,//O,!,NH,!,|,Ph,6:/OiPr)
endfont
%***************************************************************************
beginfont("EN:Propiconazole","MW:342.22")
- MCf(<-6,?5,$(2,5)d,@(1,3,4)N,
- 4\,!2,Ph,@(-1,-3)/Cl,7*,|,?5,@(1,4)O,3:/!2^24)
+ MCf(<-6,?5,{2,5}=dl,{1,3,4}:N,
+ 4:\,!2,Ph,{-1,-3}:/Cl,7:@,|,?5,{1,4}:O,3:/!2^24)
endfont
%***************************************************************************
beginfont("EN:Pencycuron","MW:328.84")
- MCf(<30,Ph,6:/Cl,3\,!,N,/?5,!,//O,!,NH,!,Ph)
+ MCf(<30,Ph,6:/Cl,3:\,!,N,/?5,!,//O,!,NH,!,Ph)
endfont
%***************************************************************************
beginfont("EN:Asulam","MW:230.238")
- MCf(<30,Ph,6:/NH2,3\,SOO,!,NH,!,//O,!,O,!)
+ MCf(<30,Ph,6:/NH2,3:\,SOO,!,NH,!,//O,!,O,!)
endfont
%***************************************************************************
beginfont("EN:Oxadiargyl","MW:341.19")
- MCf(<30,Ph,@(1,3)/Cl,4\,|,?5,2=d,@(1,2)N,4:O,5://O,-3:/tBu,#6\,O,!2,!!!)
+ MCf(<30,Ph,{1,3}:/Cl,4:\,|,?5,2=d,{1,2}:N,4:O,5://O,-3:/tBu,#6:\,O,!2,!!!)
endfont
%***************************************************************************
beginfont("EN:Oxaziclomefone","MW:376.277")
- MCf(<30,?6,6=dl,4:N,2:O,1:/_,5://O,6:/Ph,4\,/_^35,/_^-35,!,|,Ph,@(3,5)/Cl)
+ MCf(<30,?6,6=dl,4:N,2:O,1:/_,5://O,6:/Ph,4:\,/_^35,/_^-35,!,|,Ph,{3,5}:/Cl)
endfont
%***************************************************************************
beginfont("EN:Cafenstrole","MW:350.437")
- MCf(<30,Ph,@(2,4,6)/_,3\,SOO,!,|,?5,$(2,5)d,@(2,4,5)N,4\,//O,!,N,/!,!2)
+ MCf(<30,Ph,{2,4,6}:/_,3:\,SOO,!,|,?5,{2,5}=dl,{2,4,5}:N,4:\,//O,!,N,/!,!2)
endfont
%***************************************************************************
beginfont("EN:Cyclosulfamuron","MW:421.428")
MCf(<30,
- Ph,5\,//O,!,?3,4\,NH,!,SOO,!,NH,!,//O,!,NH,!,|,Ph,@(2,6)N,@(3,5)/O!)
+ Ph,5:\,//O,!,?3,4:\,NH,!,SOO,!,NH,!,//O,!,NH,!,|,Ph,{2,6}:N,{3,5}:/O!)
endfont
%***************************************************************************
beginfont("EN:Napropamide","MW:271.36")
- MCf(<-30,Ph,3=Ph,10\,O,!,/_^35,/_^-35,!,//O,!,N,/!,!)
+ MCf(<-30,Ph,3=Ph,10:\,O,!,/_^35,/_^-35,!,//O,!,N,/!,!)
endfont
%***************************************************************************
beginfont("EN:Pyributicarb","MW:330.446")
- MCf(<30,Ph,5:/tBu,3\,O,!,//S,!,N,/_,!,|,Ph,3:/O!)
+ MCf(<30,Ph,5:/tBu,3:\,O,!,//S,!,N,/_,!,|,Ph,2:N,3:/O!)
endfont
%***************************************************************************
beginfont("EN:Propyzamide","MW:256.126")
- MCf(<30,Ph,@(1,5)/Cl,3\,//O,!,NH,!,/_^35,/_^-35,!,!!!)
+ MCf(<30,Ph,{1,5}:/Cl,3:\,//O,!,NH,!,/_^35,/_^-35,!,!!!)
endfont
%***************************************************************************
beginfont("EN:Pendimethalin","MW:281.312")
- MCf(<30,Ph,@(1,2)/_,@(3,5)/NO2,4\,NH,!,/!,!2)
+ MCf(<30,Ph,{1,2}:/_,{3,5}:/NO2,4:\,NH,!,/!,!2)
endfont
%***************************************************************************
beginfont("EN:Benfluralin","MW:335.283")
- MCf(<30,Ph,@(1,3)/NO2,5:/CF3,2\,N,/!,!4)
+ MCf(<30,Ph,{1,3}:/NO2,5:/CF3,2:\,N,/!,!4)
endfont
%***************************************************************************
beginfont("EN:Trinexapac-ethyl","MW:252.266")
- MCf(<30,?6,@(2,4)//O,6:/COO!2,3\\,/OH,!,?3)
+ MCf(<30,?6,{2,4}://O,6:/COO!2,3:\\,/OH,!,?3)
endfont
%***************************************************************************
beginfont("EN:Buprofezin","MW:305.44")
- MCf(<-30,?6,@(1,5)N,3:S,6://O,5:/iPr,4\\,N,!,tBu,1:/Ph)
+ MCf(<-30,?6,{1,5}:N,3:S,6://O,5:/iPr,4:\\,N,!,tBu,1:/Ph)
endfont
%***************************************************************************
beginfont("EN:Tricyclazole","MW:189.236")
- MCf(<30,Ph,2:/_,|,-4=?5,1:N,3:S,|,-3=?5,$(2,4)d,@(2,3)N)
+ MCf(<30,Ph,2:/_,|,-4=?5,1:N,3:S,|,-3=?5,{2,4}=dl,{2,3}:N)
endfont
%***************************************************************************
beginfont("EN:Phthalide","MW:271.91")
- MCf(<30,Ph,@(1,2,5,6)/Cl,|,-4=?5,2:O,3://O)
+ MCf(<30,Ph,{1,2,5,6}:/Cl,|,-4=?5,2:O,3://O)
endfont
%***************************************************************************
beginfont("EN:Probenazole","MW:223.246")
- MCf(<12,Ph,|,-4=?5,-2=dl,1:SOO,2:N,3\,O,!2,!!)
+ MCf(<12,Ph,|,-4=?5,-2=dl,1:S,{1^35,1^-35}://O,2:N,3:\,O,!2,!!)
endfont
%***************************************************************************
beginfont("EN:Simetryn","MW:213.303")
- MCf(<30,Ph,@(2,4,6)N,5:/S!,@(1,3)/NH!2)
+ MCf(<30,Ph,{2,4,6}:N,5:/S!,{1,3}:/NH!2)
endfont
%***************************************************************************
beginfont("EN:Rifampicin","MW:822.94")
MCf(<30,Ph,6:/_^30,5:/OH,|,-6=?5,1:O,3://O,2:/*_^60,
- |,-8=?6,$(2,4)dl,@(1,4)/OH,
- |<,``1,-2\,NH,60,//O,-60,/_,60~dl,60,60~dl,-60,
+ |,-8=?6,{2,4}=dl,{1,4}:/OH,
+ |<,``1,-2:\,NH,60,//O,-60,/_,60~dl,60,60~dl,-60,
*/_,60,/*OH,-60,/*_,60,/*OH,60,*/_^30,-60,
60,/*_^30,-53,66,-53~dl,66`1.2,O,>|,,
- -4:/*O!,-6*,-30,O,!,//O,!,#11\,!!,N,!,|,?6,@(1,4)N,4:/_)
+ -4:/*O!,-6:@,-30,O,!,//O,!,#11:\,!!,N,!,|,?6,{1,4}:N,4:/_)
endfont
%***************************************************************************
beginfont("EN:Wortmannin","MW:428.43")
- MCf(<30,?6,$(-4,-2)?6,-4=?5,(2,7)=?5[3],
- 6:O,1://O,$(7,10)d,8://O,17://O,-3=d,-1:O,
- @(4,12)*/_^60,11:/*H^-60,
- #5\*,60,O,!,#14\*^-25,//O,!,O,!)
+ MCf(<30,?6,{-4,-2}=?6,-4=?5,(2,7)=?5[3],
+ 6:O,1://O,{7,10}=dl,8://O,17://O,-3=d,-1:O,
+ {4,12}:*/_^60,11:/*H^-60,
+ #5:\*,60,O,!,#14:\*^-25,//O,!,O,!)
endfont
%***************************************************************************
beginfont("EN:Ampicillin","MW:349.405")
MCf(<45,?4,-3=?5,2:N,7:S,
- @(3^45,4^-45)/*H,1://O^15,5:/*COOH^-18,@(6^35,6^-35)/_,
- ,4*\^75,NH,!,//O,!,/*NH2,!,Ph)
+ {3^45,4^-45}:/*H,1://O^15,5:/*COOH^-18,{6^35,6^-35}:/_,
+ ,4:*\^75,NH,!,//O,!,/*NH2,!,Ph)
endfont
%***************************************************************************
beginfont("EN:Validamycin","MW:497.494")
- MCf(<30,?6,@(5,6)/OH,3\,-60,OH,
- #4\,O,-60,|,?6,2:O,@(3,4,5)/OH,6:/!OH,
- #1\,NH,!,|,?6,2=dl,@(4,5,6)/OH,3:/!OH)
+ MCf(<30,?6,{5,6}:/OH,3:\,-60,OH,
+ #4:\,O,-60,|,?6,2:O,{3,4,5}:/OH,6:/!OH,
+ #1:\,NH,!,|,?6,2=dl,{4,5,6}:/OH,3:/!OH)
endfont
%**************************************************************************
beginfont("EN:Oceltamivir","MW:312.41")
- MCf(<30,?6,3=d,1:/NH2,3:/COO!2,6:/NHCO!,5\~zf,O,!,/!,!2)
+ MCf(<30,?6,3=d,1:/NH2,3:/COO!2,6:/NHCO!,5:\*,O,!,/!,!2)
endfont
%***************************************************************************
beginfont("EN:Luciferin","MW:280.33")
- MCf(<30,Ph,3=?5,8\,?5,$(9,16)d,@(9,14)N,@(7,11)S,1:/OH,-2:*/COOH)
+ MCf(<30,Ph,3=?5,8:\,?5,{9,16}=dl,{9,14}:N,{7,11}:S,1:/OH,-2:*/COOH)
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,
- -2\,54~dl,|,?5,2=d,5:N,-2\~dl,54,|,?5,5=d,5:N,-2\~dl,,
- -1*,24,/*COO!^15,72,//O,,>|,
- @(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)/_)
+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,,
+ -1:@,24,/*COO!^15,72,//O,,>|,
+ {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}:/_)
endfont
%**************************************************************************
beginfont("EN:Gibberellin A3","MW:346.379");
- MCf(<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:*/_,@(1^60,4^60)*/H)
+ MCf(<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:*/_,{1^60,4^60}:*/H)
endfont;
%**************************************************************************
beginfont("EN:Cholesterol","MW:386.664")
- MCf(<30,?6,$(-4,-2)?6,-4=?5,7=dl,
- 1:*/OH,@(4,12)*/_^60,
- 10:/*H^180,@(11,-1)/*H^-60,9:*/H^60,-1\^17,/*_,!4,/_,!)
+ MCf(<30,?6,{-4,-2}=?6,-4=?5,7=dl,
+ 1:*/OH,{4,12}:*/_^60,
+ 10:/*H^180,{11,-1}:/*H^-60,9:*/H^60,-1:@,17,/*_,!4,/_,!)
endfont
%***************************************************************************
beginfont("EN:Lycorine","MW:287.315")
- MCf(<30,Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3],13=dl,8:N,@(15,17)O,
+ MCf(<30,Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3],13=dl,8:N,{15,17}:O,
9:/*H^180,10:*/H^60,13:*/OH,14:/*OH)
endfont
%**************************************************************************
beginfont("EN:Tetrodotoxine","MW:319.27")
- MCf(|<,``1,<60,-90,60,-30`1.15,150,60,,#3*,-135,60,-30`1.15,150,,
- #10\,O,60`1.33,60,~si_,#8*,-15~si_,O,,>|,#9*,45,-60,OH,1^120://NH,
- @(5~zf^-15,7,9^-75,12,13~zf)/OH,@(2,6^180)NH)
+ MCf(|<,``1,<60,-90,60,-30`1.15,150,60,,#3:@,-135,60,-30`1.15,150,,
+ #10:\,O,60`1.33,60,~si_,#8:@,-15~si_,O,,>|,
+ #9:@,45,-60,OH,1^120://NH,
+ {5~zf^-15,7,9^-75,12,13~zf}:/OH,{2,6^180}:NH)
endfont
%***************************************************************************
beginfont("EN:beta-Carotene","MW:536.888")
- MCf(<30,?6,3=dl,@(3,5^35,5^-35)/_,
- 4\,|,!18,$(1,3,5,7,9,11,13,15,17)dr,@(3,7,12,16)/_,
- |,?6,6=d,@(6,2^35,2^-35)/_)
+ MCf(<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}:/_)
endfont
%**************************************************************************
beginfont("EN:alfa-Tocopherol","MW:430.717")
- MCf(<30,Ph,3=?6,7:O,@(1,2,5)/_,8:/*_^60,6:/OH,8\,|,!12,@(4,8)/*_,12:/_)
+ MCf(<30,Ph,3=?6,7:O,{1,2,5}:/_,8:/*_^60,6:/OH,8:\,|,!12,{4,8}:/*_,12:/_)
endfont
%**************************************************************************
beginfont("EN:Quercetin","MW:302.24")
- MCf(<30,Ph,3=?6,9\,Ph,9=dl,10:O,7://O,@(2,6,8,13,14)/OH)
+ MCf(<30,Ph,3=?6,9:\,Ph,9=dl,10:O,7://O,{2,6,8,13,14}:/OH)
endfont
%***************************************************************************
beginfont("EN:Limonin","MW:470.518")
- MCf(<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)
+ MCf(<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)
endfont
%**************************************************************************
beginfont("EN:Cromolyn","MW:468.37")
MCf(<30,Ph,|,-1=?6,3=dl,1:O,4://O,2:/COOH,
- #2\,O,!2,/OH,!2,O,60,Ph,|,-5=?6,3=dl,4:O,1://O,3:/COOH)
+ #2:\,O,!2,/OH,!2,O,60,Ph,|,-5=?6,3=dl,4:O,1://O,3:/COOH)
endfont
%**************************************************************************
beginfont("EN:Emetine","MW:480.649")
- MCf(<30,Ph,$(-4,-4)?6,8:N,@(1,6)/O!,-2:/*!,@(7^-60,12^-60)/*H,
- -3\,!~zb,<-60,|,?6,5=d,2:NH,-6^-60:*/H,|,-2=?6,$(2,4)dl,@(-2,-3)/O!)
+ MCf(<30,Ph,{-4,-4}=?6,
+ 8:N,{1,6}:/O!,-2:/*!,{7^-60,12^-60}:/*H,
+ -3:\,!~zb,<-60,|,?6,5=d,2:NH,-6^-60:*/H,|,-2=?6,{2,4}=dl,{-2,-3}:/O!)
endfont
%***************************************************************************
beginfont("EN:Colchicine","MW:399.443")
- MCf(<30,Ph,@(1,2,6)/O!,-4=?7,-5=?7,$(-1,-4,-6)dl,-2://O,-3:/O!,
- 9\,NH,!,//O,!)
+ MCf(<30,Ph,{1,2,6}:/O!,-4=?7,-5=?7,{-1,-4,-6}=dl,-2://O,-3:/O!,
+ 9:\,NH,!,//O,!)
endfont
%***************************************************************************
beginfont("EN:Caffeine","MW:194.194")
- MCf(<30,?6,3=d,@(2,6)N,@(2,6)/_,@(1,5)//O,|,-4=?5,2=dl,@(1,3)N,3:/_)
+ MCf(<30,?6,3=d,{2,6}:N,{2,6}:/_,{1,5}://O,|,-4=?5,2=dl,{1,3}:N,3:/_)
endfont
%**************************************************************************
beginfont("EN:Acronycine","MW:321.376")
@@ -288,104 +290,104 @@
endfont
%***************************************************************************
beginfont("EN:Ibotenic acid","MW:158.113")
- MCf(<18,?5,4=d,3:O,2:NH,1://O,4\^-24,/NH2,!,COOH)
+ MCf(<18,?5,4=d,3:O,2:NH,1://O,4:@,-24,/NH2,!,COOH)
endfont
%**************************************************************************
beginfont("EN:Piperine","MW:285.343")
- MCf(<30,Ph,|,-1=?5,@(1,3)O,#4\,!!,!,!!,!,//O,!,|,?6,1:N)
+ MCf(<30,Ph,|,-1=?5,{1,3}:O,#4:\,!!,!,!!,!,//O,!,|,?6,1:N)
endfont
%***************************************************************************
beginfont("EN:Febrifugine","MW:301.346")
- MCf(<30,Ph,|,-4=?6,2=d,@(1,3)N,4://O,#9\,!,//O,!,!~zf,|,?6,2:NH,-1:*/OH)
+ MCf(<30,Ph,|,-4=?6,2=d,{1,3}:N,4://O,#9:\,!,//O,!,!~zf,|,?6,2:NH,-1:*/OH)
endfont
%***************************************************************************
beginfont("EN:Mitomycine C","MW:334.332")
- MCf(<30,?6,$(3,6)dl,@(2,5)//O,1:/_,|,-4=?5,1:N,
+ MCf(<30,?6,{3,6}=dl,{2,5}://O,1:/_,|,-4=?5,1:N,
#6:/NH2,|,-3=?5,|,-2=?3,-1=wb,-2=wf,-1:NH,
- #8:/*O!^35,#9\`1^17.9,!,O,!,//O,!,NH2)
+ #8:/*O!^35,#9:@,17.9`1,!,O,!,//O,!,NH2)
endfont
%***************************************************************************
beginfont("EN:Podophyllotoxin","MW:414.41");
- MCf(<0,?5,@(2,5)O,-3=Ph2,-3=?6,-3=?5,-2:O,-1=wb,-3://O,
- 10\*,Ph,@(-2,-3,-4)/O!,#13:/*OH,@(#11~wf^-60,#12~zf^60)/H)
+ MCf(<0,?5,{2,5}:O,-3=Ph2,-3=?6,-3=?5,-2:O,-1=wb,-3://O,
+ 10:\*,Ph,{-2,-3,-4}:/O!,#13:/*OH,{#11~wf^-60,#12~zf^60}:/H)
endfont;
%***************************************************************************
beginfont("EN:Warfarin","MW:308.333");
- MCf(<30,Ph,3=?6,8=dl,10:O,7:/OH,9://O,8\,/Ph`1,60,!,//O,!)
+ MCf(<30,Ph,3=?6,8=dl,10:O,7:/OH,9://O,8:\,/Ph`1,60,!,//O,!)
endfont;
%***************************************************************************
beginfont("EN:Genistein","MW:270.24");
- MCf(<30,Ph,3=?6,9=dl,10:O,@(2,6)/OH,7://O,8\,Ph,-3:/OH)
+ MCf(<30,Ph,3=?6,9=dl,10:O,{2,6}:/OH,7://O,8:\,Ph,-3:/OH)
endfont;
%***************************************************************************
beginfont("EN:Baicalein","MW:270.24");
- MCf(<30,Ph,3=?6,9=dl,10:O,@(1,2,6)/OH,7://O,8\,Ph)
+ MCf(<30,Ph,3=?6,9=dl,10:O,{1,2,6}:/OH,7://O,8:\,Ph)
endfont;
%***************************************************************************
beginfont("EN:Reserpine","MW:608.688");
MCf(<54,Ph,-4=?5,-2=?6,-4=?6,-3=?6,9=dl,11:N,7:NH,10:*/H^-60,
- @(15^-60,16^60)/*H,
- #20*\,O,!,//O,!,|,Ph,@(-2,-3,-4)/O!,@(#1,#19~zf>rl)/O!,
- #18*\,//O,!,O,!)
+ {15^-60,16^60}:/*H,
+ #20:*\,O,!,//O,!,|,Ph,{-2,-3,-4}:/O!,{#1,#19~zf>rl}:/O!,
+ #18:*\,//O,!,O,!)
endfont;
%***************************************************************************
beginfont("EN:Nicotine","MW:162.23");
- MCf(<30,Ph,2:N,4\,|,?5,2:N,2:/_)
+ MCf(<30,Ph,2:N,4:\,|,?5,2:N,2:/_)
endfont;
%***************************************************************************
beginfont("EN:Rotenone","MW:394.423");
- MCf(<-60,?5,$(-3,-2,-3,-4)?6,$(7,9,-2,-4)d,$(3,17)dr,
- @(2,13,16)O,10://O,@(11^-60,12^60)*/H,@(-2,-3)/O!,1*\,/_,!!)
+ MCf(<-60,?5,{-3,-2,-3,-4}=?6,{7,9,-2,-4}=dl,{3,17}=dr,
+ {2,13,16}:O,10://O,{11^-60,12^60}:*/H,{-2,-3}:/O!,1:*\,/_,!!)
endfont;
%***************************************************************************
beginfont("EN:Pyrethrin I","MW:328.452");
- MCf(<30,?3,@(3^35~wf,3^-35~zf)/_,1*\,!!,iPr,
- 2\*,//O,!,O,-36~zb,|,?5,-2=d,-1:/_,-3://O,-2\,!4,$(-1,-3)d)
+ MCf(<30,?3,{3^35~wf,3^-35~zf}:/_,1:*\,!!,iPr,
+ 2:\*,//O,!,O,-36~zb,|,?5,-2=d,-1:/_,-3://O,-2:\,!4,{-1,-3}=dl)
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,
- 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!,
- #5\*^30`1.7,O,!,|,?6`.7,6:O,5:/_,2:/OH,3:/NMe!)
+ 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!,
+ #5:\*^30`1.7,O,!,|,?6`.7,6:O,5:/_,2:/OH,3:/NMe!)
endfont;
%**************************************************************************
beginfont("EN:Paclitaxel","MW:853.918")
- MCf(?6,5=d,3*,|<,``1,36,45,45,45,45,>|,,-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)
+ MCf(?6,5=d,3:@,|<,``1,36,45,45,45,45,>|,,-4=?6,-4=?4,||,-1=wb,-3=wf,-1:O,
+ {4^35,4^-35,6}:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O,
+ #1:\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph,
+ #7:\*,O,-45,//O,60,Ph,#11:*\,O,-60,//O,60,#12:\*^-15,O,60,//O,-60)
endfont
%**************************************************************************
beginfont("EN:Mevastatin","MW:390.52")
MCf(<30,?6,2=d,4:*/H^60,|,-4=?6,2=d,9:*/_,
- #10*\,!,60~wb,|,?6,6:O,-2://O,-4:/*OH,#5\*,O,60,//O,!,*/_,!2)
+ #10:*\,!,60~wb,|,?6,6:O,-2://O,-4:/*OH,#5:\*,O,60,//O,!,*/_,!2)
endfont
%***************************************************************************
beginfont("EN:Sesamine","MW:354.35")
- MCf(<54,?5,1=?5,@(4,7)O,@(1^-54,2^54)*/H,
- #5*\^-12,Ph,|,-3=?5,@(-1,-3)O,#8*\^-12,Ph,|,-3=?5,@(-1,-3)O)
+ MCf(<54,?5,1=?5,{4,7}:O,{1^-54,2^54}:*/H,
+ #5:*\^-12,Ph,|,-3=?5,{-1,-3}:O,#8:*\^-12,Ph,|,-3=?5,{-1,-3}:O)
endfont
%**************************************************************************
beginfont("EN:Morphine","MW:285.343")
MCf(<30,Ph,2=?6,-4=?6,(1,12)=?5[2],-1:O,-1=zb,
- 7*,60~wf`0.75,70~si_`1.3,45,N,/_,&9~wb,
+ 7:@,60~wf`0.75,70~si_`1.3,45,N,/_,&9~wb,
15=d,6:/OH,8^180:*/H,12:/*OH)
endfont
%**************************************************************************
beginfont("EN:Capsaicin","MW:305.418")
- MCf(<30,Ph,1:/OH,6:/O!,4\,!,NH,!,//O,|,!8,-3=d,-1:/_)
+ MCf(<30,Ph,1:/OH,6:/O!,4:\,!,NH,!,//O,|,!8,-3=d,-1:/_)
endfont
%***************************************************************************
beginfont("EN:Quinine","MW:324.424")
MCf(<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)
+ 10:\,*/OH,/H~zf^-60,!,|,?6,2:N,1:*/H^60,4:*\,!!,2:@,165~zf,60,&5~zb)
endfont
%***************************************************************************
beginfont("EN:Atoropin","MW:289.375")
MCf(<-30,O,!,//O,!,!,Ph,
- #1\~zb^-120,|,?7`1.1,6*\^190`1.25,N,/_,&3~wb,#3:/!OH~wv)
+ #1:\~zb^-120,|,?7`1.1,6:*\^190`1.25,N,/_,&3~wb,#3:/!OH~wv)
endfont
%***************************************************************************
bye
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
===================================================================
(Binary files differ)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf 2017-06-05 23:09:09 UTC (rev 44467)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf 2017-06-05 23:09:24 UTC (rev 44468)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2017.05.03
+% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2017.05.24
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf; %% it must be version 4.21 or later
+input mcf2graph.mf; %% it must be version 4.23 or later
%------------------------------------------------------------------------
sw_auxout:=0;
sw_mol_frame:=0;
@@ -27,11 +27,11 @@
endfont
%***********************************************************************
beginfont("EN:Leucine")
- MCf(<30,NH2,!0,!,COOH,2\,!,/_,!)
+ MCf(<30,NH2,!0,!,COOH,2:\,!,/_,!)
endfont
%***********************************************************************
beginfont("EN:Isoleucine")
- MCf(<30,NH2,!0,!,COOH,2\,/_,!2)
+ MCf(<30,NH2,!0,!,COOH,2:\,/_,!2)
endfont
%***********************************************************************
beginfont("EN:Serine")
@@ -39,7 +39,7 @@
endfont
%***********************************************************************
beginfont("EN:Threonine")
- MCf(<30,NH2,!0,!,COOH,2\,/_,!,OH)
+ MCf(<30,NH2,!0,!,COOH,2:\,/_,!,OH)
endfont
%***********************************************************************
beginfont("EN:Cysteine")
@@ -47,7 +47,7 @@
endfont
%***********************************************************************
beginfont("EN:Methionine")
- MCf(<30,NH2,!0,!,COOH,2\,!2,SMe)
+ MCf(<30,NH2,!0,!,COOH,2:\,!2,SMe)
endfont
%***********************************************************************
beginfont("EN:Phenylalanine")
@@ -55,11 +55,11 @@
endfont
%***********************************************************************
beginfont("EN:Tyrosine")
- MCf(<30,NH2,!0,!,COOH,2\,!,Ph,-3:/OH)
+ MCf(<30,NH2,!0,!,COOH,2:\,!,Ph,-3:/OH)
endfont
%***********************************************************************
beginfont("EN:Triptophan")
- MCf(<30,NH2,!0,!,COOH,2\,!,<24,|,?5,-4=Ph,2=dr,5=dl,4:NH)
+ MCf(<30,NH2,!0,!,COOH,2:\,!,<24,|,?5,-4=Ph,2=dr,5=dl,4:NH)
endfont
%***********************************************************************
beginfont("EN:Prorine")
@@ -67,11 +67,11 @@
endfont
%***********************************************************************
beginfont("EN:Glutamine")
- MCf(<30,NH2,!0,!,COOH,2\`1,-45,-45,//O,!,NH2)
+ MCf(<30,NH2,!0,!,COOH,2:\`1,-45,-45,//O,!,NH2)
endfont
%***********************************************************************
beginfont("EN:Asparagine")
- MCf(<30,NH2,!0,!,COOH,2\,!,//O,!,NH2)
+ MCf(<30,NH2,!0,!,COOH,2:\,!,//O,!,NH2)
endfont
%***********************************************************************
beginfont("EN:Aspartic acid")
@@ -79,19 +79,19 @@
endfont
%***********************************************************************
beginfont("EN:Glutamic acid")
- MCf(<30,NH2,!0,!,COOH,2\,!2,COOH)
+ MCf(<30,NH2,!0,!,COOH,2:\,!2,COOH)
endfont
%***********************************************************************
beginfont("EN:Lysine")
- MCf(<30,NH2,!0,!,COOH,2\,!4,NH2)
+ MCf(<30,NH2,!0,!,COOH,2:\,!4,NH2)
endfont
%***********************************************************************
beginfont("EN:Arginine")
- MCf(<30,NH2,!0,!,COOH,2\,-45,-45,60,NH,!,//NH,!,NH2)
+ MCf(<30,NH2,!0,!,COOH,2:\,-45,-45,60,NH,!,//NH,!,NH2)
endfont
%***********************************************************************
beginfont("EN:Hystidine")
- MCf(<30,NH2,!0,!,COOH,2\,!,|,?5,$(1,3)dl,3:N,5:NH)
+ MCf(<30,NH2,!0,!,COOH,2:\,!,|,?5,{1,3}=dl,3:N,5:NH)
endfont
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
font_wd:=60mm;
@@ -112,7 +112,7 @@
ratio_chain_ring:=1;
%----------------------------------------------------------------------
MCf(<30,-60,60,-90,120,-90,60,
- @(1^-60,2^60,3^-45,4^30,5^-45,6^60)/_~dt`.4
+ {1^-60,2^60,3^-45,4^30,5^-45,6^60}:/_~dt`.4
)
endfont
%***********************************************************************
@@ -123,7 +123,7 @@
ratio_chain_ring:=1;
%----------------------------------------------------------------------
MCf(<30,!6,
- @(1^-60,2^60,3^-60,4^60,5^-60,6^60)/_~dt`.6
+ {1^-60,2^60,3^-60,4^60,5^-60,6^60}:/_~dt`.6
)
endfont
%***********************************************************************
@@ -134,7 +134,7 @@
sw_numberA:=1;
ratio_chain_ring:=1;
%----------------------------------------------------------------------
- MCf(<30,!6,3*,0,!,5*,-30)
+ MCf(<30,!6,3:@,0,!,5:@,-30)
endfont
%***********************************************************************
beginfont("EN:Jump and Branch")
@@ -144,7 +144,7 @@
sw_clip:=1;
ratio_chain_ring:=1;
%----------------------------------------------------------------------
- MCf(<30,!6,3\,!)
+ MCf(<30,!6,3:\,!)
endfont
%***********************************************************************
beginfont("EN:branch1")
@@ -155,7 +155,7 @@
numberA_end:=9;
ratio_chain_ring:=1;
%----------------------------------------------------------------------
- MCf(<-30,!8,2\,!,4*\,!,6\*,!,8\\,!)
+ MCf(<-30,!8,2:\,!,4:*\,!,6:\*,!,8:\\,!)
endfont
%***********************************************************************
beginfont("EN:branch2")
@@ -166,7 +166,7 @@
numberA_end:=7;
ratio_chain_ring:=1;
%----------------------------------------------------------------------
- MCf(<-30,!6,2\~dr,!,4\`1.5,-90,6\^15,-60)
+ MCf(<-30,!6,2:\~dr,!,4:\`1.5,-90,6:@,15,-60)
endfont
%***********************************************************************
beginfont("EN:Connect atom")
@@ -176,7 +176,7 @@
sw_numberA:=1;
ratio_chain_ring:=1;
%----------------------------------------------------------------------
- MCf(<30,!6,3\,!,&5)
+ MCf(<30,!6,3:\,!,&5)
endfont
%***********************************************************************
beginfont("EN:ring")
@@ -194,7 +194,7 @@
sw_clip:=1;
sw_numberB:=1;
numberB_end:=5;
- MCf(``1,0,0,<90,0,<-90,0,0,$(1,2,3,4,5)vf,@(3,4^180)/_~dt`.5)
+ MCf(``1,0,0,<90,0,<-90,0,0,{1,2,3,4,5}=vf,{3,4^180}:/_~dt`.5)
endfont
%***********************************************************************
beginfont("EN:change bond 1")
@@ -249,7 +249,7 @@
margin_top_bottom:=3mm;
sw_clip:=1;
ratio_chain_ring:=1;
- MCf(<30,!7,$(2,4,6)dr)
+ MCf(<30,!7,{2,4,6}=dr)
endfont
%***********************************************************************
beginfont("EN:over line")
@@ -256,7 +256,7 @@
sw_clip:=1;
font_ht:=20mm;
ratio_chain_ring:=1;
- MCf(<-30,!8,!,60,90`8,@(2~si_,4~wf_,6~wb_,8~bd_)/_`2)
+ MCf(<-30,!8,!,60,90`8,{2~si_,4~wf_,6~wb_,8~bd_}:/_`2)
endfont
%***********************************************************************
beginfont("EN:change bond length1")
@@ -276,7 +276,7 @@
font_ht:=20mm;
sw_clip:=1;
sw_numberB:=1;
- MCf(?6,4\,?6`1.2)
+ MCf(?6,4:\,?6`1.2)
endfont
%***********************************************************************
beginfont("EN:Insert atom")
@@ -287,41 +287,41 @@
%***********************************************************************
beginfont("EN:change atom")
font_ht:=18mm;
- MCa(.5,1)(<30,!6,2:O,@(3,5)N)
+ MCa(.5,1)(<30,!6,2:O,{3,5}:N)
sw_numberA:=1;
- MCa(.5,.05)(<30,!6,2:O,@(3,5)N)
+ MCa(.5,.05)(<30,!6,2:O,{3,5}:N)
endfont
%***********************************************************************
beginfont("EN:change atom brock address 1")
font_wd:=70mm;
font_ht:=15mm;
- MCa(0,.5)(?6,4\,|,?6,2:O)
+ MCa(0,.5)(?6,4:\,|,?6,2:O)
sw_numberA:=1;
- MCd(1,.88)(1,.5)(?6,4\,?6)
+ MCd(1,.88)(1,.5)(?6,4:\,?6)
endfont
%***********************************************************************
beginfont("EN:change atom brock address 2")
font_wd:=70mm;
font_ht:=15mm;
- MCa(0,.5)(?6,4\,|,?6,||,2:N)
+ MCa(0,.5)(?6,4:\,|,?6,||,2:N)
sw_numberA:=1;
- MCd(1,.88)(1,.5)(?6,4\,?6)
+ MCd(1,.88)(1,.5)(?6,4:\,?6)
endfont
%***********************************************************************
beginfont("EN:change atom absolute address")
font_wd:=70mm;
font_ht:=15mm;
- MCa(0,.5)(?6,4\,?6,#2:N)
+ MCa(0,.5)(?6,4:\,?6,#2:N)
sw_numberA:=1;
- MCd(1,.88)(1,.5)(?6,4\,?6)
+ MCd(1,.88)(1,.5)(?6,4:\,?6)
endfont
%***********************************************************************
beginfont("EN:change atom relative adress")
font_wd:=70mm;
font_ht:=15mm;
- MCa(0,.5)(?6,4\,?6,-2:N)
+ MCa(0,.5)(?6,4:\,?6,-2:N)
sw_numberA:=3;
- MCd(1,.88)(1,.5)(?6,4\,?6)
+ MCd(1,.88)(1,.5)(?6,4:\,?6)
endfont
%***********************************************************************
beginfont("EN:fused ring")
@@ -329,7 +329,7 @@
margin_top_bottom:=1.5mm;
sw_clip:=1;
sw_numberB:=1;
- MCf(<30,?6,3=?6,$(3)dt,$(7,8,9,10,11)bd)
+ MCf(<30,?6,3=?6,3=dt,{7,8,9,10,11}=bd)
endfont
%-----------------------------------------------------------------------
beginfont("EN:change ring length")
@@ -337,7 +337,8 @@
font_ht:=25mm;
sw_clip:=1;
sw_numberB:=1;
- MCf(?6,4\,?6`1.2,5=?6,11=?6,$(14,15,16,17,18,19,20,21,22,23)bd,$(5,11)dt)
+ MCf(?6,4:\,?6`1.2,5=?6,11=?6,
+ {14,15,16,17,18,19,20,21,22,23}=bd,{5,11}=dt)
endfont
%-----------------------------------------------------------------------
beginfont("EN:fused large 6 ring")
@@ -345,7 +346,7 @@
margin_top_bottom:=1.5mm;
sw_numberB:=1;
sw_clip:=1;
- MCf(<30,?6,3=?6[13],$(3)dt,$(7,8,9,10,11)bd)
+ MCf(<30,?6,3=?6[13],3=dt,{7,8,9,10,11}=bd)
endfont
%-----------------------------------------------------------------------
beginfont("EN:fuse multi ring")
@@ -353,7 +354,7 @@
font_ht:=20mm;
sw_numberB:=1;
sw_clip:=1;
- MCf(<30,?6,$(-3,-4,-4,-2,-2,-4,-4)?6,$(4,8,13,20,25,28,33)dt)
+ MCf(<30,?6,{-3,-4,-4,-2,-2,-4,-4}=?6,{4,8,13,20,25,28,33}=dt)
endfont
%***********************************************************************
beginfont("EN:fused ring 2")
@@ -360,9 +361,9 @@
font_wd:=75mm;
font_ht:=20mm;
sw_numberB:=1;
- MCa( 0,.5)(<30,?6,3=?6,(11,4)=?6[4],$(11,4)dt,$(12,13,14,15)bd)
- MCd(1,.9)(.5,.5)(<30,?6,3=?6,(11,4)=?5[3],$(11,4)dt,$(12,13,14)bd)
- MCd(1,.9)( 1,.5)(<30,?6,3=?6,(11,4)=?4[2],$(11,4)dt,$(12,13)bd)
+ MCa( 0,.5)(<30,?6,3=?6,(11,4)=?6[4],{11,4}=dt,{12,13,14,15}=bd)
+ MCd(1,.9)(.5,.5)(<30,?6,3=?6,(11,4)=?5[3],{11,4}=dt,{12,13,14}=bd)
+ MCd(1,.9)( 1,.5)(<30,?6,3=?6,(11,4)=?4[2],{11,4}=dt,{12,13}=bd)
endfont
%***********************************************************************
beginfont("EN:fused ring 3")
@@ -369,8 +370,8 @@
font_ht:=20mm;
margin_top_bottom:=2mm;
sw_numberB:=1;
- MCa(0,1)(?6,$(3,10)?6,(16,4)=?6[3],$(16,4)dt,$(17,18,19)bd)
- MCa(1,0)(?6,$(3,10)?6,(16,4)=?5[2],$(16,4)dt,$(17,18)bd)
+ MCa(0,1)(?6,{3,10}=?6,(16,4)=?6[3],{16,4}=dt,{17,18,19}=bd)
+ MCa(1,0)(?6,{3,10}=?6,(16,4)=?5[2],{16,4}=dt,{17,18}=bd)
endfont
%***********************************************************************
beginfont("EN:fused ring 4")
@@ -378,7 +379,7 @@
font_ht:=22mm;
margin_top_bottom:=2mm;
sw_numberB:=1;
- MCf(<-30,?6,$(3,10,15)?6,(21,4)=?6[2],$(21,4)dt,$(22,23)bd)
+ MCf(<-30,?6,{3,10,15}=?6,(21,4)=?6[2],{21,4}=dt,{22,23}=bd)
endfont
%***********************************************************************
beginfont("EN:Spiro ring ")
@@ -388,7 +389,7 @@
sw_numberA:=1;
numberA_end:=7;
ratio_chain_ring:=1;
- MCf(<30,!6,4*,?5)
+ MCf(<30,!6,4:@,?5)
endfont
%***********************************************************************
beginfont("EN:substituent 1")
@@ -424,7 +425,7 @@
sw_clip:=1;
margin_top_bottom:=2mm;
sw_numberA:=1; numberA_end:=7;
- MCf(<-30,!6`1,@(2~wf,4~zf,6^-30)/_)
+ MCf(<-30,!6`1,{2~wf,4~zf,6^-30}:/_)
endfont
%***********************************************************************
beginfont("EN:substituent 5")
@@ -432,7 +433,7 @@
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")
@@ -440,8 +441,8 @@
sw_clip:=1;
ratio_chain_ring:=1;
MCf(
- ?4,@(3^-90,3^-30,3^90)/'(!3,"{hz}")>hz,
- @(1^-60,1`1.5,1^60)/'(!2,"{vt}")>vt
+ ?4,{3^-90,3^-30,3^90}:/'(!3,"{hz}")>hz,
+ {1^-60,1`1.5,1^60}:/'(!2,"{vt}")>vt
)
endfont
%***********************************************************************
@@ -450,8 +451,8 @@
sw_clip:=1;
ratio_chain_ring:=1;
MCf(
- <30,!6,@(3^-30,3,3^30)/'(!,!,!,"{lr}")>lr,
- @(5^-30,5,5^30)/'(!,!,!,"{rl}")>rl
+ <30,!6,{3^-30,3,3^30}:/'(!,!,!,"{lr}")>lr,
+ {5^-30,5,5^30}:/'(!,!,!,"{rl}")>rl
)
endfont
%***********************************************************************
@@ -459,8 +460,8 @@
font_ht:=25mm;
sw_clip:=1;
ratio_chain_ring:=1;
- MCf(<-30,!6,@(6>45)/'(!3,"{45}"),
- @(3>'(90,-90,90))/'(!3,"{'(90,-90,90)}")
+ MCf(<-30,!6,{6>45}:/'(!3,"{45}"),
+ {3>'(90,-90,90)}:/'(!3,"{'(90,-90,90)}")
)
endfont
%***********************************************************************
@@ -474,7 +475,7 @@
font_ht:=20mm;
sw_clip:=1;
margin_left_right:=5mm;
- MCf(<30,Ph,@(2,5)N,2:red,5:blue,3=green)
+ MCf(<30,Ph,{2,5}:N,2:red,5:blue,3=green)
endfont
%***********************************************************************
beginfont("EN:Make brock")
@@ -502,7 +503,7 @@
font_ht:=15mm;
sw_clip:=1;
iBuOH:='(!,/_,!,OH);
- MCf(<30,?6,@(4,6)/iBuOH)
+ MCf(<30,?6,{4,6}:/iBuOH)
endfont
%***********************************************************************
beginfont("EN:Inline definition")
@@ -517,8 +518,8 @@
font_ht:=20mm;%
sw_font_frame:=1;
MCf(<30,
- ?6,-4=?5,$(3,8)dl,@(2,6,7,9)N,
- @(2,6,9)/_,@(1,5)//O)
+ ?6,-4=?5,{3,8}=dl,{2,6,7,9}:N,
+ {2,6,9}:/_,{1,5}://O)
endfont
%***********************************************************************
beginfont("EN:margin_left_right")
@@ -564,11 +565,11 @@
beginfont("EN:offset_atom")
font_ht:=14mm;
offset_atom:=0.0pt;
- MCa(0.08, .5)(<30,?6,@(3)O)
+ MCa(0.08, .5)(<30,?6,3:O)
offset_atom:=0.8pt; %<<== default
- MCa(.5, .5)(<30,?6,@(3)O)
+ MCa(.5, .5)(<30,?6,3:O)
offset_atom:=2.0pt;
- MCa(0.92, .5)(<30,?6,@(3)O)
+ MCa(0.92, .5)(<30,?6,3:O)
endfont
%***********************************************************************
beginfont("EN:offset_wedge")
@@ -576,7 +577,7 @@
font_ht:=14mm;
MCa(0.08, .5)(<30,?6,5:*/_)
offset_wedge:=0.4pt; %<<== default
- MCa(.5, .5)(<30,?6,5:*/_)
+ MCa( .5, .5)(<30,?6,5:*/_)
offset_wedge:=1.0pt;
MCa(0.92, .5)(<30,?6,5:*/_)
endfont
@@ -587,7 +588,7 @@
max_bond_length:=6mm;
MCa(0, .5)(<30,Ph)
max_bond_length:=8mm;
- MCa(.4, .5)(<30,Ph)
+ MCa(.4,.5)(<30,Ph)
max_bond_length:=20mm; %<<== default
MCa(1, .5)(<30,Ph)
endfont
@@ -625,11 +626,11 @@
beginfont("EN:ratio_atom_bond")
font_ht:=15mm;
ratio_atom_bond:=0.25;
- MCa(0.08, .5)(<30,?6,@(3)O)
+ MCa(0.08, .5)(<30,?6,3:O)
ratio_atom_bond:=0.33; %<<== default
- MCa(.5, .5)(<30,?6,@(3)O)
+ MCa(.5, .5)(<30,?6,3:O)
ratio_atom_bond:=0.45;
- MCa(0.92, .5)(<30,?6,@(3)O)
+ MCa(0.92, .5)(<30,?6,3:O)
endfont
%***********************************************************************
beginfont("EN:ratio_wedge_bond")
@@ -646,11 +647,11 @@
font_ht:=8mm;
sw_atom_frame:=1;
ratio_atomgap_atom:=0.00;
- MCa(0, .5)(<-30,!2,@(2)O)
+ MCa(0, .5)(<-30,!2,2:O)
ratio_atomgap_atom:=0.050; %<<== default
- MCa(.5, .5)(<-30,!2,@(2)O)
+ MCa(.5, .5)(<-30,!2,2:O)
ratio_atomgap_atom:=0.12;
- MCa(1, .5)(<-30,!2,@(2)O)
+ MCa(1, .5)(<-30,!2,2:O)
endfont
%***********************************************************************
beginfont("EN:ratio_chain_ring")
@@ -900,7 +901,7 @@
font_ht:=30mm;
ratio_bond_width:=0.065;
sw_solid:=1;
- MCa(0.1,0.5)(<-210,60`1,60`1,60`1,$(1,3)dl,1:/R1,4:/R2^-60)
+ MCa(0.1,0.5)(<-210,60`1,60`1,60`1,{1,3}=dl,1:/R1,4:/R2^-60)
ext(
defaultscale:=0.6;
label.bot("Diene",p0+(0.5wd,0));
@@ -924,8 +925,9 @@
font_ht:=20mm;
MCd(1,0.7)(0,0.5)(<30,?6,3=dl,4:/CH3)
ext(
+ B7:=0.37[Bs7,Be7];
label.top("+",A7);
- drawarrow B3..((B7-B3) scaled 0.7 rotated -45 shifted B3)..B7;
+ drawarrow B3..((B7-B3) scaled 0.6 rotated -45 shifted B3)..B7;
)
MCd(1,0.7)(1,0.5)(<30,?6,4://CH3)
ext(
@@ -938,7 +940,7 @@
%***************************************************************************
beginfont("EN:Acetamiprid","MW:222.676")
font_ht:=20mm;
- MCf(<30,Ph,2:N,1:/Cl,4\,!,N,/_,!,/_,!!,N,!,CN)
+ MCf(<30,Ph,2:N,1:/Cl,4:\,!,N,/_,!,/_,!!,N,!,CN)
endfont
%***************************************************************************
beginfont("EN:Fenitrothion","MW:277.231")
@@ -948,51 +950,51 @@
%***************************************************************************
beginfont("EN:Permethrin","MW:391.288")
font_ht:=25mm;
- MCf(<-30,?3,2^-35:*/_,2^35:/*_,1\,!!,/Cl,!,Cl,
- 3\,//O,!,O,!2,|,Ph,3\,O,-60,Ph)
+ MCf(<-30,?3,2^-35:*/_,2^35:/*_,1:\,!!,/Cl,!,Cl,
+ 3:\,//O,!,O,!2,Ph,-4:\,O,-60,Ph)
endfont
%***************************************************************************
beginfont("EN:Endosulfan","MW:406.904");
font_ht:=25mm;
- MCf(<26,?7,7=?6[13],11*,208~wf`1.45,&8~wb,10=d,@(3,5)O,4:S,4://O,
- @(8,9,10,11,12^-210,12^-150)/Cl)
+ MCf(<26,?7,7=?6[13],11:@,208~wf`1.45,&8~wb,10=d,{3,5}:O,4:S,4://O,
+ {8,9,10,11,12^-210,12^-150}:/Cl)
endfont;
%***************************************************************************
beginfont("EN:Luciferin","MW:280.33")
- MCf(<30,Ph,3=?5,8\,?5,$(9,16)d,
- @(9,14)N,@(7,11)S,1:/OH,-2:*/COOH)
+ MCf(<30,Ph,3=?5,8:\,?5,{9,16}=dl,
+ {9,14}:N,{7,11}:S,1:/OH,-2:*/COOH)
endfont
%***************************************************************************
beginfont("EN:Warfarin","CAS:81-81-2","FM:C19H16O4","MW:308.33")
font_ht:=25mm;
- MCf(<30,Ph,3=?6,8=dl,10:O,7:/OH,9://O,8\,/Ph`1,60,!,//O,!)
+ MCf(<30,Ph,3=?6,8=dl,10:O,7:/OH,9://O,8:\,/Ph`1,60,!,//O,!)
endfont
%***************************************************************************
beginfont("EN:Limonin")
font_ht:=30mm;
- MCf(<30,?6,$(-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,$(1,4)dl,3:O)
+ MCf(<30,?6,{-3,-4}=?6,-5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf,
+ {13,15,17,20}:O,{3,12,21}://O,
+ {4~wf^60,8~zf^60,18^35,18^-35}:/_,{1^60,5^180,16^60}:/*H,
+ 14:\*,|,?5,{1,4}=dl,3:O)
endfont
%***************************************************************************
beginfont("EN:Sesamine")
font_ht:=25mm;
- MCf(<54,?5,1=?5,@(4,7)O,@(1^-54,2^54)*/H,
- #5*\^-12,Ph,|,-3=?5,@(-1,-3)O,#8*\^-12,Ph,|,-3=?5,@(-1,-3)O)
+ MCf(<54,?5,1=?5,{4,7}:O,{1^-54,2^54}:*/H,
+ #5:*\^-12,Ph,-3=?5,{-1,-3}:O,8:*\^-12,Ph,-3=?5,{-1,-3}:O)
endfont
%***************************************************************************
beginfont("EN:Colchicine","CAS:477-27-0","FM:C21H23NO6","MW:385.41")
font_ht:=25mm;
- MCf(<30,Ph,@(1,2,6)/O!,|,-4=?7,
- |,-5=?7,$(-1,-4,-6)dl,-2://O,-3:/O!,
- #9\,NH,!,//O,!)
+ MCf(<30,Ph,{1,2,6}:/O!,|,-4=?7,
+ |,-5=?7,{-1,-4,-6}=dl,-2://O,-3:/O!,
+ #9:\,NH,!,//O,!)
endfont
%***************************************************************************
beginfont("EN:Lycorine","CAS:476-28-8","FM:C16H17NO4","MW:287.31")
font_ht:=25mm;
MCf(<30,
- Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3],13=dl,8:N,@(15,17)O,
+ 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
@@ -999,65 +1001,64 @@
%***********************************************************************
beginfont("EN:Gibberellin A3","CAS:77-06-5","FM:C19H22O6","MW:346.37");
font_ht:=20mm;
- MCf(<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:*/_,@(1^60,4^60)*/H)
+ MCf(<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:*/_,{1^60,4^60}:*/H)
endfont
%***************************************************************************
beginfont("EN:Quinine","CAS:130-95-0","FM:C20H24N2O2","MW:324.42")
font_ht:=25mm;
MCf(<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)
+ 10:\,*/OH,/H~zf^-60,!,|,?6,2:N,1:*/H^60,4:*\,!!,2:@,165~zf,60,&5~zb)
endfont
%***************************************************************************
beginfont("EN:Atoropin","CAS:51-55-8","FM:C17H23NO3","MW:289.37")
font_ht:=25mm;
MCf(<-30,O,!,//O,!,!,Ph,
- #1\~zb^-120,|,?7,6*\^190`1.12,N,/_,&3~wb,#3\~wv,!,OH)
+ #1:@,-120~zb,|,?7,6:*\^190`1.12,N,/_,&3~wb,#3:\~wv,!,OH)
endfont
%***************************************************************************
beginfont("EN:Rotenone");
font_ht:=30mm;
- MCf(<-60,?5,$(-3,-2,-3,-4)?6,$(7,9,-2,-4)dl,$(3,17)dr,
- @(2,13,16)O,10://O,@(11^-60,12^60)*/H,@(-2,-3)/O!,1*\,/_,!!)
+ MCf(<-60,?5,{-3,-2,-3,-4}=?6,{7,9,-2,-4}=dl,{3,17}=dr,
+ {2,13,16}=O,10://O,{11^-60,12^60}:*/H,{-2,-3}:/O!,1:*\,/_,!!)
endfont;
%***************************************************************************
beginfont("EN:Pyrethrin I");
- MCf(<30,?3,@(3^35~wf,3^-35~zf)/_,1*\,!!,iPr,
- 2\*,//O,!,O,-36~zb,|,?5,-2=d,-1:/_,-3://O,-2\,!4,$(-1,-3)dl)
+ MCf(<30,?3,{3^35~wf,3^-35~zf}:/_,1:*\,!!,iPr,
+ 2:\*,//O,!,O,-36~zb,|,?5,-2=dl,-1:/_,-3://O,-2:\,!4,{-1,-3}=dl)
endfont;
%***************************************************************************
beginfont("EN:Validamycin")
font_ht:=20mm;
- MCf(<30,?6,@(5,6)/OH,3:/!OH>rl,
- #4\,O,-60,|,?6,2:O,@(3,4,5)/OH,6:/!OH,
- #1\,NH,!,|,?6,2=dl,@(4,5,6)/OH,3:/!OH)
+ MCf(<30,?6,{5,6}:/OH,3:/!OH>rl,
+ #4:\,O,-60,|,?6,2:O,{3,4,5}:/OH,6:/!OH,
+ #1:\,NH,!,|,?6,2=dl,{4,5,6}:/OH,3:/!OH)
endfont
%***************************************************************************
beginfont("EN:Paclitaxel","CAS:33069-62-4","FM:C47H51NO14","MW:853.91")
- MCf(?6,5=d,3*,|<,``1,36,45,45,45,45,>|,
+ MCf(?6,5=dl,3:@,|<,``1,36,45,45,45,45,>|,
,-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)
+ {4^35,4^-35,6}:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O,
+ 1:\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph,
+ 7:\*,O,-45,//O,60,Ph,11:*\,O,-60,//O,60,12:\*^-15,O,60,//O,-60)
endfont
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
beginfont("EN:Ampicillin","MW:349.405")
font_ht:=15mm;
MCf(<45,?4,-3=?5,2:N,7:S,
- @(3^45,4^-45)/*H,1://O^15,5:/*COOH^-18,@(6^35,6^-35)/_,
- ,4*\^75,NH,!,//O,!,/*NH2,!,Ph)
+ {3^45,4^-45}:/*H,1://O^15,5:/*COOH^-18,{6^35,6^-35}:/_,
+ 4:*\^75,NH,!,//O,!,/*NH2,!,Ph)
endfont
%***************************************************************************
beginfont("EN:Cholesterol","CAS:57-88-5","FM:C27H46O","MW:386.65")
font_ht:=15mm;
MCf(
- <30,?6,$(-4,-2)?6,-4=?5,7=dl,
- 1:*/OH,@(4,12)*/_^60,9:*/H^60,
+ <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,/_,!,
+ -1:@,18,/*_,-60,!3,/_,!,
)
endfont
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
bye
-ye
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 2017-06-05 23:09:09 UTC (rev 44467)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex 2017-06-05 23:09:24 UTC (rev 44468)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format manual by Akira Yamaji 2017.03.26
+% Molecular Coding Format manual by Akira Yamaji 2017.06.04
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
%%%%\usepackage{graphicx}
@@ -111,40 +111,40 @@
%-----------------------------------------------------------------------------
\subsubsection{Jump and branch bond}
\begin{verbatim}
- n* : Jump to An
+ n:@ : Jump to An
** An: atom number(-999<=n<=4095)
- <30,!6,3*,0,!,5*,-30
+ <30,!6,3:@,0,!,5:@,-30
\end{verbatim}
\MCFstructure
%------------------------------------
\begin{verbatim}
- 3\ : 3*,0
+ 3:\ : 3:@,0
- <30,!6,3\,!
+ <30,!6,3:\,!
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
\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
- <30,!8,2\,!,4*\,!,6\*,!,8\\,!
+ <30,!8,2:\,!,4:*\,!,6:\*,!,8:\\,!
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
\begin{verbatim}
- 2\~dr : 2*,0~dr
- 4\`1.5 : 4*,0`1.5
- 6\^15 : 6*,0^15
+ 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,!,
+ 4:\`1.5,-90,
+ 6:\^15,-60
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -152,7 +152,7 @@
\begin{verbatim}
&n : Connect to An
- <30,!6,3\,!,&5
+ <30,!6,3:\,!,&5
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -168,7 +168,7 @@
\begin{verbatim}
<angle : rotate current angle
- 0,0,<90,0,<-90,0,0,$(1,2,3,4,5)vf
+ 0,0,<90,0,<-90,0,0,{1,2,3,4,5}=vf
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -245,9 +245,9 @@
%-----------------------------------------------------------------------------
\subsubsection{Change multi bond type}
\begin{verbatim}
- $(2,4,6)dr : 2=dr,4=dr,6=dr
+ {2,4,6}=dr : 2=dr,4=dr,6=dr
- <30,!7,$(2,4,6)dr
+ <30,!7,{2,4,6}=dr
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -259,7 +259,7 @@
bd_ : broad over line
<-30,!8,!,60,90`8,
- @(2~si_,4~wf_,6~wb_,8~bd_)/_`2
+ {2~si_,4~wf_,6~wb_,8~bd_}:/_`2
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -285,7 +285,7 @@
\begin{verbatim}
?n`length : change ring length
- ?6,4\,?6`1.2
+ ?6,4:\,?6`1.2
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -302,9 +302,9 @@
\subsubsection{Addressed atom}
\begin{verbatim}
2:O : change A2 C to O
- @(3,5)N : change A3,A5 C to N
+ {3,5}:N : change A3,A5 C to N
- <30,!6,2:O,@(3,5)N
+ <30,!6,2:O,{3,5}:N
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -312,7 +312,7 @@
\begin{verbatim}
| : divide brock
- ?6,4\,|,?6,2:O
+ ?6,4:\,|,?6,2:O
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -319,7 +319,7 @@
\begin{verbatim}
|| : reset brock adress
- ?6,4\,|,?6,||,2:N
+ ?6,4:\,|,?6,||,2:N
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -328,7 +328,7 @@
#2:N : change A#2 C to N
** #n : (1<=n<=3095)
- ?6,4\,|,?6,#2:N
+ ?6,4:\,|,?6,#2:N
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -337,7 +337,7 @@
-2:N : change A(-2) C to N
** -n : (1<=n<=999)
- ?6,4\,?6,-2:N
+ ?6,4:\,?6,-2:N
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -355,7 +355,7 @@
** fused ring size depend on
attached bond length
- ?6,4\,?6`1.2,5=?6,11=?6
+ ?6,4:\,?6`1.2,5=?6,11=?6
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -369,8 +369,8 @@
\MCFstructure
%-----------------------------------------------------------------------------
\begin{verbatim}
- ?6,$(-3,-4,-4,-2,-2,-4,-4)?6
- ?6,$(4,8,13,20,25,28,33)?6
+ ?6,{-3,-4,-4,-2,-2,-4,-4}=?6
+ ?6,{4,8,13,20,25,28,33}=?6
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -397,8 +397,8 @@
(16,4)=?5[2] : fuse 2/5 ring to B16..B4
** ?m[n] (5<=m<=6,n=m-3)
-1:MCd(1,.55)(0,0)(?6,$(3,10)?6,(16,4)=?6[3])
-2:MCd(1,.55)(1,0)(?6,$(3,10)?6,(16,4)=?5[2])
+1:MCd(1,.55)(0,0)(?6,{3,10}=?6,(16,4)=?6[3])
+2:MCd(1,.55)(1,0)(?6,{3,10}=?6,(16,4)=?5[2])
\end{verbatim}
\MCFstructure
\vspace{-3mm}%
@@ -410,7 +410,7 @@
\begin{verbatim}
(21,4)=?6[2] : fuse 2/6 ring to B21..B4
- MCf(<-30,?6,$(3,10,15)?6,(21,4)=?6[2])
+ MCf(<-30,?6,{3,10,15}=?6,(21,4)=?6[2])
** ?m[n] (m=6,n=2)
\end{verbatim}
@@ -418,11 +418,11 @@
%-----------------------------------------------------------------------------
\subsubsection{Spiro ring}
\begin{verbatim}
- 4*,?5 : add ?5(5 membered ring) at A4
+ 4:@,?5 : add ?5 at A4
- <30,!6,4*,?5
+ <30,!6,4:@,?5
- An* : jump to An
+ An:@ : jump to An
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -477,7 +477,7 @@
~,^,` : change type,angle,length
<-30,!6,
- @(2~wf,4~zf,6^-30)/_
+ {2~wf,4~zf,6^-30}:/_
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -496,8 +496,8 @@
>hz : horizontal enviroment (default)
>vt : vertical enviroment
- ?4,@(3^-90,3^-30,3^90)/'(!3,"{hz}")>hz,
- @(1^-60,1`2,1^60)/'(!2,"{vt}")>vt
+ ?4,{3^-90,3^-30,3^90}:/'(!3,"{hz}")>hz,
+ {1^-60,1`2,1^60}:/'(!2,"{vt}")>vt
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -507,8 +507,8 @@
>rl : right-left enviroment
<30,!6,
- @(3^-30,3,3^30)/'(!3,"{lr}")>lr,
- @(5^-30,5,5^30)/'(!3,"{rl}")>rl
+ {3^-30,3,3^30}:/'(!3,"{lr}")>lr,
+ {5^-30,5,5^30}:/'(!3,"{rl}")>rl
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -517,8 +517,8 @@
>45 : fixed angle enviroment
>'(-90,90,-90) : multi angle enviroment
- <-30,!6,@(2>45)/'(!3,"{45}"),
- @(6>'(-90,90,-90))/'(!3,"{(-90,90,-90)}")
+ <-30,!6,2>45:/'(!3,"{45}"),
+ {6>'(-90,90,-90)}:/'(!3,"{(-90,90,-90)}")
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -536,11 +536,11 @@
%-----------------------------------------------------------------------------
\subsubsection{Change color}
\begin{verbatim}
- @(5)green : change color of A5 green
- $(3)red : change color of B3 red
+ 5:green : change color of A5 green
+ 3=red : change color of B3 red
** METAFONT ignore color command
- <30,Ph,@(2,5)N,2:red,5:blue,3=green
+ <30,Ph,{2,5}:N,2:red,5:blue,3=green
\end{verbatim}
%%%%\MCFstructure % for Metafont
\includegraphics{mcf_man_soc-064.eps}% for dvipdfmx
@@ -573,7 +573,7 @@
iBuOH : user defined substructure
iBuOH:='(!,/_,!,OH)
- MCf(<30,?6,@(4,6)/iBuOH)
+ MCf(<30,?6,{4,6}:/iBuOH)
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -594,8 +594,8 @@
beginfont("EN:Caffeine")
font_wd:=30mm; %<==font width
font_ht:=20mm; %<==font height
- MCf(<30,?6,-4=?5,$(3,8)dl,@(2,6,7,9)N,
- @(2,6,9)/_,@(1,5)//O) endfont
+ MCf(<30,?6,-4=?5,{3,8}=dl,{2,6,7,9}:N,
+ {2,6,9}:/_,{1,5}://O) endfont
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -1045,7 +1045,7 @@
sw_solid:=1;
%---------------------------------------
MCd(1,1)(0.1,0.5)
- (<-210,60`1,60`1,60`1,$(1,3)dl,
+ (<-210,60`1,60`1,60`1,{1,3}=dl,
1:/R1,4:/R2^-60)
ext(
defaultscale:=0.6;
@@ -1089,7 +1089,9 @@
A[m]: atom position
A[m]bra: branch angle of A[m]
Bn: bond number
- B[m]: bond position
+ B[m]: bond position(0.5[Bs[m],Be[m]])
+ Bs[m]: bond start position
+ Be[m]: bond end position
B[m]ang: bond angle
%----------------------------------------
@@ -1100,7 +1102,8 @@
MCd(1,0.7)(0,0.5)(<30,?6,3=dl,4:/CH3)
ext(
label.top("+",A7);
- drawarrow B3..((B7-B3) scaled 0.7
+ B7:=0.37[Bs7,Be7];
+ drawarrow B3..((B7-B3) scaled 0.6
rotated -45 shifted B3)..B7;
)
%---------------------------------------
@@ -1135,7 +1138,7 @@
\subsection{Acetamiprid}
\begin{verbatim}
<30,Ph,2:N,1:/Cl,
- 4\,!,N,/_,!,/_,!!,N,!,CN
+ 4:\,!,N,/_,!,/_,!!,N,!,CN
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -1149,24 +1152,24 @@
\subsection{Permethrin}
\begin{verbatim}
<-30,?3,2^-35:*/_,2^35:/*_,
- 1\,!!,/Cl,!,Cl,
- 3\,//O,!,O,!2,|,Ph,
- 3\,O,-60,Ph
+ 1:\,!!,/Cl,!,Cl,
+ 3:\,//O,!,O,!2,Ph,
+ -4:\,O,-60,Ph
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
\subsection{Endosulfan}
\begin{verbatim}
- <26,?7,7=?6[13],11*,208~wf`1.45,&8~wb,
- 10=d,@(3,5)O,4:S,4://O,
- @(8,9,10,11,12^-210,12^-150)/Cl
+ <26,?7,7=?6[13],11:@,208~wf`1.45,&8~wb,
+ 10=d,{3,5}:O,4:S,4://O,
+ {8,9,10,11,12^-210,12^-150}:/Cl
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
\subsection{Luciferin}
\begin{verbatim}
- <30,Ph,3=?5,8\,?5,$(9,16)d,
- @(9,14)N,@(7,11)S,
+ <30,Ph,3=?5,8:\,?5,{9,16}=dl,
+ {9,14}:N,{7,11}:S,
1:/OH,-2:*/COOH
\end{verbatim}
\MCFstructure
@@ -1175,18 +1178,18 @@
\begin{verbatim}
<30,Ph,3=?6,8=dl,
10:O,7:/OH,9://O,
- 8\,/Ph`1,60,!,//O,!
+ 8:\,/Ph`1,60,!,//O,!
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
\subsection{Limonin}
\begin{verbatim}
- <30,?6,$(-3,-4)?6,-5=?3,
+ <30,?6,{-3,-4}=?6,-5=?3,
-2=wf,-1=wb,6=?5,-4=?6,-5=wf,
- @(13,15,17,20)O,@(3,12,21)//O,
- @(4~wf^60,8~zf^60,18^35,18^-35)/_,
- @(1^60,5^180,16^60)/*H,
- 14\*,|,?5,$(1,4)dl,3:O
+ {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{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -1193,18 +1196,18 @@
\subsection{Sesamine}
\begin{verbatim}
<54,?5,1=?5,
- @(4,7)O,@(1^-54,2^54)*/H,
- #5*\^-12,Ph,|,-3=?5,@(-1,-3)O,
- #8*\^-12,Ph,|,-3=?5,@(-1,-3)O
+ {4,7}:O,{1^-54,2^54}:*/H,
+ 5:*\^-12,Ph,-3=?5,{-1,-3}:O,
+ 8:*\^-12,Ph,-3=?5,{-1,-3}:O
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
\subsection{Colchicine}
\begin{verbatim}
- <30,Ph,@(1,2,6)/O!,
+ <30,Ph,{1,2,6}:/O!,
-4=?7,-5=?7,
- $(-1,-4,-6)dl,-2://O,-3:/O!,
- 9\,NH,!,//O,!
+ {-1,-4,-6}=dl,-2://O,-3:/O!,
+ 9:\,NH,!,//O,!
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -1213,7 +1216,7 @@
<30,Ph,
-4=?6,-2=?6,6=?5,(9,12)=?5[3],
13=dl,
- 8:N,@(15,17)O,
+ 8:N,{15,17}:O,
9:/*H^180,10:*/H^60,
13:*/OH,14:/*OMe
\end{verbatim}
@@ -1222,11 +1225,11 @@
\subsection{Gibberellin}
\begin{verbatim}
<18,?5,3=?7,5=?6[12],
- 8*,160`1.3,&3,
+ 8:@,160`1.3,&3,
13=dl,6=wf,8=wb,
- 5*,40~zf`1,O,60,//O^180,&14~zb,
+ 5:@,40~zf`1,O,60,//O^180,&14~zb,
2:/COOH,7://_,13:*/OH,8:/*OH,
- 14:*/_,@(1^60,4^60)*/H
+ 14:*/_,{1^60,4^60}:*/H
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -1233,10 +1236,10 @@
\subsection{Quinine}
\begin{verbatim}
<30,Ph,3=Ph,7:N,6:/O!,
- 10\,*/OH,/H~zf^-60,!,
+ 10:\,*/OH,/H~zf^-60,!,
|,?6,2:N,1:*/H^60,
- 4*\,!!,
- 2*,165~zf,60,&5~zb
+ 4:*\,!!,
+ 2:@,165~zf,60,&5~zb
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -1243,47 +1246,47 @@
\subsection{Atoropin}
\begin{verbatim}
<-30,O,!,//O,!,!,Ph,
- #1\~zb^-120,
- |,?7,6*\^190`1.02,N,/_,&3~wb,
- #3\~wv,!,OH
+ #1:@,-120~zb,
+ |,?7,6:*\^190`1.02,N,/_,&3~wb,
+ #3:\~wv,!,OH
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
\subsection{Rotenone}
\begin{verbatim}
- <-60,?5,$(-3,-2,-3,-4)?6,
- $(7,9,-2,-4)dl,$(3,17)dr,
- @(2,13,16)O,10://O,@(11^-60,12^60)*/H,
- @(-2,-3)/O!,1*\,/_,!!
+ <-60,?5,{-3,-2,-3,-4}=?6,
+ {7,9,-2,-4}=dl,{3,17}=dr,
+ {2,13,16}:O,10://O,{11^-60,12^60}:*/H,
+ {-2,-3}:/O!,1:*\,/_,!!
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
\subsection{Pyrethrin I}
\begin{verbatim}
- <30,?3,@(3^35~wf,3^-35~zf)/_,
- 1*\,!!,iPr,2\*,//O,!,O,-36~zb,|,
- ?5,-2=d,-1:/_,-3://O,-2\,!4,$(-1,-3)dl
+ <30,?3,{3^35~wf,3^-35~zf}:/_,
+ 1:*\,!!,iPr,2:\*,//O,!,O,-36~zb,|,
+ ?5,-2=d,-1:/_,-3://O,-2\,!4,{-1,-3}=dl
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
\subsection{Validamycin}
\begin{verbatim}
- <30,?6,@(5,6)/OH,3:/!OH>rl,
- #4\,O,-60,|,?6,2:O,@(3,4,5)/OH,6:/!OH,
- #1\,NH,!,|,?6,2=dl,@(4,5,6)/OH,3:/!OH
+ <30,?6,{5,6}:/OH,3:/!OH>rl,
+ #4:\,O,-60,|,?6,2:O,{3,4,5}:/OH,6:/!OH,
+ #1:\,NH,!,|,?6,2=dl,{4,5,6}:/OH,3:/!OH
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
\subsection{Paclitaxel}
\begin{verbatim}
- ?6,5=d,3*,|<,``1,36,45,45,45,45,>|,,
+ ?6,5=d,3:@,|<,``1,36,45,45,45,45,>|,,
-4=?6,-4=?4,-1=wb,-3=wf,-1:O,||,
- @(4^35,4^-35,6)/_,@(3^-60,15)*/OH,
+ {4^35,4^-35,6}:/_,{3^-60,15}:*/OH,
8:/*H^-60,9:*/_^60,10://O,
- 1\,O,!,//O,!,*/OH,!,/Ph,
+ 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
+ 7:\*,O,-45,//O,60,Ph,11:*\,O,-60,//O,60,
+ 12:\*^-15,O,60,//O,-60
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -1295,8 +1298,8 @@
input mcf2graph.mf; % input macro
%-------------------------------------------------------------------------
sw_auxout:=1; % aux(information) file output on > Gloval setting
-font_wd:=60mm; % font width >
-font_ht:=40mm; % font height >
+font_wd:=60mm; % font width >
+font_ht:=40mm; % font height >
var3:="cal_MW"; tag3:="cMW"; > AUX file table
var4:="cal_FM"; tag4:="cFM"; >
%%%% sw_report:=1; > Report output
@@ -1306,40 +1309,40 @@
%-------------------------------------------------------------------------
beginfont("NO:1","EN:Ampicillin") > begin font(information)
MCf(<45,?4,2:N,2=?5,-1:S, > begin MCF (1)
- @(3^45,4^-45)/*H,1://O^15,5:/*COOH^-18, >
- @(6^35,6^-35)/_, >
- 4\^75,NH,!,//O,!,/*NH,!,Ph) > end MCF
+ {3^45,4^-45}:/*H,1://O^15,5:/*COOH^-18, >
+ {6^35,6^-35}:/_, >
+ 4:@,75,NH,!,//O,!,/*NH,!,Ph) > end MCF
endfont > end font
%------------------------------------------------------------------------
beginfont("NO:2","EN:Cholesterol") > begin font(information)
- MCf(<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
+ MCf(<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
endfont > end font
%------------------------------------------------------------------------
beginfont("NO:3","EN:Limonin") > begin font(information)
- MCf(<30,?6,$(-3,-4)?6, > begin MCF (3)
+ MCf(<30,?6,{-3,-4}=?6, > begin MCF (3)
-5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf, >
- @(13,15,17,20)O,@(3,12,21)//O, >
- @(4~wf^60,8~zf^60,18^35,18^-35)/_, >
- @(1^60,5^180,16^60)/*H, >
- 14\*,|,?5,$(1,4)dl,3:O) > end MCF
+ {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
endfont > end font
%------------------------------------------------------------------------
beginfont("NO:4","EN:beta-carotene) > begin font(information)
- MCf(<30,?6,3=dl,@(3,5^35,5^-35)/_, > begin MCF (4)
- 4\,|,!18,$(1,3,5,7,9,11,13,15,17)dr, >
- @(3,7,12,16)/_, >
- |,?6,6=dl,@(6,2^35,2^-35)/_) > end MCF
+ MCf(<30,?6,3=dl,{3,5^35,5^-35}:/_, > begin MCF (4)
+ 4:\,|,!18,{1,3,5,7,9,11,13,15,17}=dr, >
+ {3,7,12,16}:/_, >
+ |,?6,6=dl,{6,2^35,2^-35}:/_) > end MCF
endfont > end font
%------------------------------------------------------------------------
beginfont("NO:5","EN:Gibberellin A3"); > begin font(information)
MCf(<18,?5,3=?7,5=?6[12], > begin MCF (5)
- 8*,160`1.3,&3,13=dl,6=wf,8=wb, >
- 5*,40~zf`1,O,60,//O^180,&14~zb, >
+ 8:@,160`1.3,&3,13=dl,6=wf,8=wb, >
+ 5:@,40~zf`1,O,60,//O^180,&14~zb, >
2:/COOH,7://_,13:*/OH,8:/*OH, >
- 14:*/_,@(1^60,4^60)*/H) > end MCF
+ 14:*/_,{1^60,4^60}:*/H) > end MCF
endfont; > end font
%------------------------------------------------------------------------
bye
@@ -1546,12 +1549,12 @@
font_wd:=50mm; font_ht:=50mm;
beginfont("NO:2","EN:Limonin","MW:470.51")
MCf(<30,
- ?6,$(-3,-4)?6,
+ ?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,$(1,4)dl,3:O
+ {13,15,17,20}:O,{3,12,21}://O,
+ {4~wf^60,8~zf^60,18^35,18^-35}:/_,
+ {1^60,5^180,16^60}:/*H,
+ 14:\*,|,?5,{1,4}=dl,3:O
)
endfont
\end{mplibcode}\\
@@ -1560,10 +1563,10 @@
font_wd:=80mm; font_ht:=50mm;
beginfont("NO:3","EN:beta-carotene","MW:536.87")
MCf(<30,
- ?6,3=dl,@(3,5^35,5^-35)/_,
- 4\,|,!18,$(1,3,5,7,9,11,13,15,17)dr,
- @(3,7,12,16)/_,
- |,?6,6=dl,@(6,2^35,2^-35)/_
+ ?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}:/_
)
endfont
\end{mplibcode}\\
@@ -1572,10 +1575,10 @@
font_wd:=50mm; font_ht:=50mm;
beginfont("NO:4","EN:Gibberellin A3","MW:346.37");
MCf(<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,
+ 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
+ 14:*/_,{1^60,4^60}:*/H
)
endfont;
\end{mplibcode}\\
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 2017-06-05 23:09:09 UTC (rev 44467)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex 2017-06-05 23:09:24 UTC (rev 44468)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2017.05.03
+% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2017.06.04
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-%%% mcf2graph.mf it must be version 4.21 or later
+%%% mcf2graph.mf it must be version 4.23 or later
\documentclass{article}
%------------------------------------------------------------------------------
\usepackage{luamplib}%
@@ -96,12 +96,12 @@
font_wd:=90mm; font_ht:=45mm;
beginfont("NO:1","EN:Chlorophyll a","MW:893.49")
MCf(<54,
- |<,``1,?5,$(2,5)d,4:N,3\,54~dl,|,?5,$(2,4)d,5:N,
- -2\,54~dl,|,?5,2=d,5:N,-2\~dl,54,|,?5,5=d,5:N,-2\~dl,,
- -1*,24,/*COO!^15,72,//O,,>|,
- 4\`1.45,Mg,&17,-1*,&11~vb,-1*,&23~vb,
- @(2,9,15,20~zf)/_,8:/!,14\,!!,
- 21*,-6~wf,!2,//O,!,O,!2,!!,|,!13,@(1,5,9,13)/_,
+ |<,``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,,
+ -1:@,24,/*COO!^15,72,//O,,>|,
+ 4:\`1.45,Mg,&17,-1:@,&11~vb,-1:@,&23~vb,
+ {2,9,15,20~zf}:/_,8:/!,14:\,!!,
+ 21:@,-6~wf,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_,
)
endfont
\end{mplibcode}
@@ -112,10 +112,10 @@
font_wd:=40mm; font_ht:=35mm;
beginfont("NO:2","EN:Limonin","MW:470.51")
MCf(<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
+ ?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
)
endfont
\end{mplibcode}
@@ -126,9 +126,9 @@
font_wd:=80mm; font_ht:=28mm;
beginfont("NO:3","EN:beta-carotene","MW:536.87")
MCf(<30,
- ?6,3=dl,@(3,5^35,5^-35)/_,
- 4\,|,!18,$(1,3,5,7,9,11,13,15,17)dr,@(3,7,12,16)/_,
- |,?6,6=dl,@(6,2^35,2^-35)/_
+ ?6,3=dl,{3,5^35,5^-35}:/_,
+ 4:\,|,!18,{1,3,5,7,9,11,13,15,17}=dr,{3,7,12,16}:/_,
+ |,?6,6=dl,{6,2^35,2^-35}:/_
)
endfont
\end{mplibcode}
@@ -138,9 +138,9 @@
\begin{mplibcode}
font_wd:=50mm; font_ht:=40mm;
beginfont("NO:4","EN:Gibberellin A3","MW:346.37");
- MCf(<18,?5,3=?7,5=?6[12],8*,160`1.3,&3,13=dl,6=wf,8=wb,
- 5*,40~zf`1,O,60,//O^180,&14~zb,
- 2:/COOH,7://_,13:*/OH,8:/*OH,14:*/_,@(1^60,4^60)*/H)
+ MCf(<18,?5,3=?7,5=?6[12],8:@,160`1.3,&3,13=dl,6=wf,8=wb,
+ 5:@,40~zf`1,O,60,//O^180,&14~zb,
+ 2:/COOH,7://_,13:*/OH,8:/*OH,14:*/_,{1^60,4^60}:*/H)
endfont;
\end{mplibcode}
\inputINFO{temp-info.aux}%
@@ -151,10 +151,10 @@
beginfont("NO:5","EN:Erythromycin","MW:733.93");
MCf(<30,
|<,``1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,>|,&1,
- 14:O,13:/*Et,@(1,9)//O,@(2,10)*/_,@(4,6^-35,8,12^35)/*_,
- @(6^35,11,12^-35)*/OH,
- #3\*,O,30,|,?6`.7,2:O,@(3,5^35)/_,4:/OH,5^-35:/O!,
- #5\*^30`1.7,O,!,|,?6`.7,6:O,5:/_,2:/OH,3:/NMeMe
+ 14:O,13:/*Et,{1,9}://O,{2,10}:*/_,{4,6^-35,8,12^35}:/*_,
+ {6^35,11,12^-35}:*/OH,
+ #3:\*,O,30,|,?6`.7,2:O,{3,5^35}:/_,4:/OH,5^-35:/O!,
+ #5:\*^30`1.7,O,!,|,?6`.7,6:O,5:/_,2:/OH,3:/NMeMe
)
endfont;
\end{mplibcode}
@@ -165,16 +165,16 @@
font_wd:=90mm; font_ht:=55mm;
beginfont("NO:6","EN:Vancomycin","MW:1449.25");
MCf(<30,
- |<,``1,!12,$(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,,
- #7*,,#1\^120,//O,60,NH,60,/*H,*/COOH^180,-60,
- Ph,@(-2,-4)/OH,-1\,Ph,-5:/OH,-2*,,>|,
- @(3^40,6,9,12)//O,@(2,5,8,11)NH,
- @(1^180,4^180)*/H,@(7^-60,10^60,14^60)/*H,
- #10*\^-60,60,//O,!,NH2,
- #13*\,NH,!,//O,!,/!iPr^-35>60,*/H^60,!~zf,NH,!,
- #23\,O,!,|,?6`.7,2:O,3^10:/!OH,@(4,5)/OH,
- -1\,O,!,|,?6`.7,6:O,@(3^35,5)/_,3^-35:/NH2,4:/OH
+ |<,``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,,
+ #7:@,,#1:@,120,//O,60,NH,60,/*H,*/COOH^180,-60,
+ Ph,{-2,-4}:/OH,-1:\,Ph,-5:/OH,-2:@,,>|,
+ {3^40,6,9,12}://O,{2,5,8,11}:NH,
+ {1^180,4^180}:*/H,{7^-60,10^60,14^60}:/*H,
+ #10:*\^-60,60,//O,!,NH2,
+ #13:*\,NH,!,//O,!,/!iPr^-35>60,*/H^60,!~zf,NH,!,
+ #23:\,O,!,|,?6`.7,2:O,3^10:/!OH,{4,5}:/OH,
+ -1:\,O,!,|,?6`.7,6:O,{3^35,5}:/_,3^-35:/NH2,4:/OH
)
endfont;
\end{mplibcode}
@@ -184,27 +184,28 @@
\begin{mplibcode}
font_wd:=150mm; font_ht:=70mm;
beginfont("NO:7","EN:Maitotoxin","MW:3425.86")
- MCf(<55.8,?6,-4=?7 ,$(-4,-3,-3,-3)?6,-3\,!3,?6,$(-4,-3,-3,-3)?6,
- -3\,?6,-3=?6,-3\,!3,60,<-30,?6,-3=?6,
- -3\^30,<30,?6,$(-3,-3)?6,-3=?7,$(-4,-3,-3)?6,
- -2\,?6,-3=?6,-3=?7,$(-3,-3)?6,-3=?8,-3=dl,$(-5,-3,-3,-3)?6,
- @(5,7,15,16,23,24,32,40,41,48,49,58,59,72,73,82,83,90,91,99,
- 100,107,113,114,122,123,130,131,140,141,148,149)O,
- @(1^60,2,26,28,29,51,54,61,63,68,75^60,78,109)*/OH,
- @(11,20,35,45,52,55,65,69,86)/*OH,@(47,57,71)/*H^60,
- @(3,8,13,17,21,33,38,42,56,70,84,92,101,106,111,128,138,142,146,150)/*H^-60,
- @(4,14,22,34,39,43,81,89,98,102,116,121,125,129,133)*/H^60,
- @(6,46,50,53,60,67,74)*/H^-60,
- @(9,18,85,93,112,139,143,147)*/_`1^60,
- @(80,88,97,115,120,124)/*_`1^-60,108:*/_`1^-60,
- #6\,|,!11,60~dr,-60,60,OH,2:/*OH,@(7,10)*/OH,@(1,3)*/_,@(8~zf,11~dm,12)/_,
- 6\,O,30,SOO,30,"O{Na}",
- #36\~zf^-45,O,30,SOO,30,"O{Na}",
- #150\,|,!7,@(1,2)/*OH,4:*/_,5:/*_,7=dl
+ MCf(<55.8,?6,-4=?7 ,{-4,-3,-3,-3}=?6,-3:\,!3,?6,{-4,-3,-3,-3}=?6,
+ -3:\,?6,-3=?6,-3:\,!3,60,<-30,?6,-3=?6,
+ -3:@,30,<30,?6,{-3,-3}=?6,-3=?7,{-4,-3,-3}=?6,
+ -2:\,?6,-3=?6,-3=?7,{-3,-3}=?6,-3=?8,-3=dl,{-5,-3,-3,-3}=?6,
+ {5,7,15,16,23,24,32,40,41,48,49,58,59,72,73,82,83,90,91,99,
+ 100,107,113,114,122,123,130,131,140,141,148,149}:O,
+ {1^60,2,26,28,29,51,54,61,63,68,75^60,78,109}:*/OH,
+ {11,20,35,45,52,55,65,69,86}:/*OH,{47,57,71}:/*H^60,
+ {3,8,13,17,21,33,38,42,56,70,84,92,101,106,111,128,138,142,146,150}:/*H^-60,
+ {4,14,22,34,39,43,81,89,98,102,116,121,125,129,133}:*/H^60,
+ {6,46,50,53,60,67,74}:*/H^-60,
+ {9,18,85,93,112,139,143,147}:*/_`1^60,
+ {80,88,97,115,120,124}:/*_`1^-60,108:*/_`1^-60,
+ #6:\,|,!11,60~dr,-60,60,OH,2:/*OH,{7,10}:*/OH,{1,3}:*/_,{8~zf,11~dm,12}:/_,
+ 6:\,O,30,SOO,30,"O{Na}",
+ #36:@,-45~zf,O,30,SOO,30,"O{Na}",
+ #150:\,|,!7,{1,2}:/*OH,4:*/_,5:/*_,7=dl
)
endfont
\end{mplibcode}
\inputINFO{temp-info.aux}%
\MOLcaption{110mm}{70mm}\\%
+\end{document}
%----------------------------------------------------------------------------
\end{document}
Modified: trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
===================================================================
--- trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf 2017-06-05 23:09:09 UTC (rev 44467)
+++ trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf 2017-06-05 23:09:24 UTC (rev 44468)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 4.21 Copyright (c) 2013-2017 Akira Yamaji
+% mcf2graph ver 4.23 Copyright (c) 2013-2017 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,
@@ -31,9 +31,9 @@
% Set to use plain.mp label,arrow : mpost -s ahlength=3 FILENAME
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
tracingstats:=1;
-message " This is mcf2graph ver 4.2 2017.5";
+message " This is mcf2graph ver 4.2 2017.6";
%-------------------------------------------------------------------------------------------------
-newinternal nA,nB,nC,nD,nE,nF,char_num,str_cnt,def_num,def_int,tbl_cnt;
+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[],
tbl_atom_mi[],tbl_char_wd[],tbl_char_ht[],tbl_char_dp[];
string tbl_atom_str[],strD[],var[],tag[],mp_log_name,aux_delimiter;
@@ -106,15 +106,16 @@
ext_defaultscale:=defaultscale:=1;
labeloffset:=3bp;
%==================================================================================================
-def_emb_start:=500; % 500 => 2499 for embedded definition (max 2000)
-def_usr_start:=2500; % 2500 => 2999 for user definition (max 500)
-def_int_start:=3000; % 3000 => 4000 for internal definition (max 1000)
+sub_emb_start:=500; % 500 => 2499 for embedded sub structure (max 2000)
+sub_usr_start:=2500; % 2500 => 2999 for user sub structure (max 500)
+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,_H,_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,_set_psA,_stack_reset,
- _set_clr,_set_adr,_mk_bond,_set_atom,_arg_ang,_chg_atom,_tmp_rot,_fuse,_push,_pop,_size_a);
+ _tmp_env,_set_colorA,_set_colorB,_postA,_postB,_postC,_postD,_postE,_postF,_postH,_stack_reset,
+ _set_clr,_set_adr,_mk_bond,_set_atom,_arg_ang,_chg_atom,_tmp_rot,_fuse,_push,_pop,
+ _size_a,_numeric);
def_com(1)(si,dl,dr,db,dm,tm,wf,wb,bd,bz,zf,zb,dt,wv,nl,vf,vb,si_,wf_,wb_,bd_);
%--------------------------------------------------------------------------------------------------
def parameter_list=
@@ -186,12 +187,14 @@
enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
def set_def_MC=
- save /,*,//,/*,*/,**,~,~~,^,^^,`,'`,<,>,>>,:>,&,&#,:,=,\,\\,*\,\*,@,$,#,
+ save /,//,/*,*/,**,~,~~,^,^^,`,'`,<,>,>>,:>,&,&#,:,=,\,\\,*\,\*,@,#,{,},
|,||,|<,>|,|:,:|,_,d,w,z,inside_def_MC;
- inside_def_MC:=1; d:=db; w:=wf; z:=zf;
- vardef $(text a)tertiary b == $$(a)(b) enddef; tertiarydef a=b == $$(a)(b) enddef;
- vardef @(text a)tertiary b == @@(a)(b) enddef; tertiarydef a:b == @@(a)(b) enddef;
- vardef #primary a == if numeric a:: a-4095 elseif pair a:: a+(0,-4095) fi enddef;
+ inside_def_MC:=1;
+ _:=Me; d:=db; w:=wf; z:=zf;
+ tertiarydef a=b == change_bond(a)(b) enddef;
+ tertiarydef a:b == change_atom(a)(b) enddef;
+ def { == '''( enddef; let } == );
+ vardef #primary a == a-4095 enddef;
def &primary n ==(_cyc,n) enddef; def &# == & # enddef;
def ^^primary n == (_tmp_rot,n) enddef; def ~~primary n == (_tmp_line,n) enddef;
def '`primary n == (_tmp_len,n) enddef; def :>primary n == (_tmp_env,n) enddef;
@@ -199,18 +202,17 @@
def <primary n == (_rot_ang,n) enddef;
tertiarydef a^b == ^^b,a enddef; tertiarydef a`b == '`b,a enddef;
tertiarydef a~b == ~~b,a enddef; tertiarydef a>b == :>b,a enddef;
- def * == (0,1) enddef; def \ == *,0 enddef; def \\ == *,0~dm enddef;
- def *\ == *,0~wf enddef; def \* == *,0~zf enddef;
+ def @ == JP_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 |: == (_push,0) enddef; def :| == (_pop,0) enddef;
- def _ == Me 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;
enddef;
%=================================================================================================
-vardef '(text s)= ''(incr def_num)(s); def_num enddef;
+vardef '(text s)= ''(incr sub_usr)(s); sub_usr enddef;
%-------------------------------------------------------------------------------------------------
def ''(expr k)(text s)=
begingroup
@@ -220,7 +222,7 @@
if known list::
if pair list:: comD[k][incr cntD[k]]:=xpart(list); parD[k][cntD[k]]:=ypart(list);
elseif numeric list::
- if list>=def_emb_start::
+ if list>=sub_emb_start::
for i==1 upto cntD[list]::
comD[k][incr cntD[k]]:=comD[list][i]; parD[k][cntD[k]]:=parD[list][i];
endfor
@@ -233,15 +235,31 @@
endfor
endgroup
enddef;
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+%-------------------------------------------------------------------------------------------------
+vardef '''(text s)=
+ sub_int:=sub_int+1;
+ cntD[sub_int]:=0;
+ for list==s::
+ cntD[sub_int]:=cntD[sub_int]+1;
+ if numeric list::
+ comD[sub_int][cntD[sub_int]]:=_numeric;
+ parD[sub_int][cntD[sub_int]]:=list;
+ elseif pair list::
+ comD[sub_int][cntD[sub_int]]:=xpart(list);
+ parD[sub_int][cntD[sub_int]]:=ypart(list);
+ fi
+ endfor
+ sub_int %------- Retern value -------
+enddef;
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
def FR(expr a)(expr b) =
- PA(_jp_bond,a) PA(_get_len,a) PA(_push,0)
+ PA(_jp_bond,a) PA(_rot_ang,180) PA(_get_len,a) PA(_push,0)
PA(_chg_len,_ring_len) for i==1 upto b-2:: PA(_mk_bond,360 DIV b) endfor PA(_pop,0)
if a>=1:: PA(_cyc_eB,0) elseif a>=-999:: PA(_cyc_eB,a-b+2) else:: PA(_cyc_eB,a) fi
enddef;
%-------------------------------------------------------------------------------------------------
def FFR(expr a)(expr b)(expr c) =
- PA(_jp_bond,xpart(a)) PA(_push,0)
+ PA(_jp_bond,xpart(a)) PA(_rot_ang,180) PA(_push,0)
if b==6:: PA(_chg_len,0) for i==1 upto c-1:: PA(_mk_bond,60) endfor
elseif b==5:: if c==2:: PA(_chg_len,1.25) PA(_mk_bond,80)
elseif c==3:: PA(_chg_len,1.1) PA(_mk_bond,78) PA(_mk_bond,72) fi
@@ -250,36 +268,36 @@
enddef;
%-------------------------------------------------------------------------------------------------
def FRR(expr a)(expr b)(expr c) =
+ PA(_jp_bond,a) PA(_rot_ang,180) PA(_push,0) PA(_chg_len,c DIV 10)
if b==5::
- PA(_jp_bond,a) PA(_push,0) PA(_chg_len,c DIV 10) PA(_mk_bond,72-((c-9) MUL 1.5))
- PA(_mk_bond,72+(c-9)) PA(_mk_bond,72+(c-9)) PA(_pop,0)
- if a>=1:: PA(_cyc_eB,0) else:: PA(_cyc_eB,list) fi
+ PA(_mk_bond,72-((c-9) MUL 1.5)) PA(_mk_bond,72+(c-9)) PA(_mk_bond,72+(c-9))
elseif b==6::
- PA(_jp_bond,a) PA(_push,0) PA(_chg_len,c DIV 10) PA(_mk_bond,60-(c-8))
+ PA(_mk_bond,60-(c-8))
PA(_mk_bond,60+((c-8) DIV 2)) PA(_mk_bond,60+((c-8) DIV 2)) PA(_mk_bond,60+((c-8) DIV 2))
- PA(_pop,0) if a>=1:: PA(_cyc_eB,0) else:: PA(_cyc_eB,list) fi
elseif b==7::
- PA(_jp_bond,a) PA(_push,0) PA(_chg_len,c DIV 10) PA(_mk_bond,(360 DIV 7)-(c-8))
+ PA(_mk_bond,(360 DIV 7)-(c-8))
PA(_mk_bond,360 DIV 7+((c-8) DIV 2.5)) PA(_mk_bond,360 DIV 7+((c-8) DIV 2.5))
PA(_mk_bond,360 DIV 7+((c-8) DIV 2.5)) PA(_mk_bond,360 DIV 7+((c-8) DIV 2.5))
- PA(_pop,0) if a>=1:: PA(_cyc_eB,0) else:: PA(_cyc_eB,list) fi
elseif b==8::
- PA(_jp_bond,a) PA(_push,0) PA(_chg_len,c DIV 10) PA(_mk_bond,45-(c-8))
+ PA(_mk_bond,45-(c-8)) PA(_mk_bond,45+((c-8) DIV 3)) PA(_mk_bond,45+((c-8) DIV 3))
PA(_mk_bond,45+((c-8) DIV 3)) PA(_mk_bond,45+((c-8) DIV 3)) PA(_mk_bond,45+((c-8) DIV 3))
- PA(_mk_bond,45+((c-8) DIV 3)) PA(_mk_bond,45+((c-8) DIV 3))
- PA(_pop,0) if a>=1:: PA(_cyc_eB,0) else:: PA(_cyc_eB,list) fi
fi
+ PA(_pop,0) if a>=1:: PA(_cyc_eB,0) else:: PA(_cyc_eB,list) fi
enddef;
%==================================================================================================
-vardef $$(text t)(expr e) =
- nA:=0;
- def_int:=def_int+1;
+vardef change_bond(text t)(expr e) =
+ sub_int:=sub_int+1;
+ cntD[sub_int]:=0;
if known e:: if numeric e::
- if (e>=si)and(e<=bd_):: if e==dl:: for list==t:: PA(_dl,list) endfor
- else:: for list==t:: PA(_set_adr,list) PA(_set_line,e) endfor fi
- elseif (e>=?3)and(e<=?20):: for list==t:: FR(list)(e-?3+3) endfor
+ if (e>=si)and(e<=bd_):: if e==dl:: PP(t)(_dl) else:: PX(t)(_set_line,e) fi
+ elseif (e>=?3)and(e<=?20)::
+ for list==t::
+ if list>=sub_int_start:: for i==1 upto cntD[list]:: FR(parD[list][i])(e-?3+3) endfor
+ else:: FR(list)(e-?3+3) fi
+ endfor
elseif e==Ph1:: FR(t)(6) PA(_dl,-2) PA(_dl,-4)
elseif e==Ph2:: FR(t)(6) PA(_dl,-1) PA(_dl,-3) PA(_dl,-5)
+ elseif e==JP_AT:: PA(_jp_bond,t)
elseif comD[e][1]==_fuse::
if comD[e][2]<=6:: for list==t:: FFR(list)(parD[e][1])(comD[e][2]) endfor
elseif (comD[e][2]>=11)and(comD[e][2]<=15)::
@@ -286,44 +304,28 @@
for list==t:: FRR(list)(parD[e][1])(comD[e][2]) endfor
fi
fi
- elseif color e:: color_list[incr cntC]:=e;
- for list==t:: PA(_set_adr,list) PA(_set_colorB,cntC) endfor
+ elseif color e:: color_list[incr cntC]:=e; PX(t)(_set_colorB,cntC)
fi fi
- cntD[def_int]:=nA;
- def_int %------- Retern value -------
+ sub_int %------- Retern value -------
enddef;
%-------------------------------------------------------------------------------------------------
-vardef @@(text t)(expr s)=
- nA:=0;
- def_int:=def_int+1;
- if known s:: if numeric s::
- if (s>=H)and(s<=U)::
- for list==t::
- if s==N:: PA(_N,list) elseif s==O:: PA(_O,list) elseif s==S:: PA(_S,list)
- else:: PA(_set_adr,list) PA(_chg_atom,s) fi endfor
- elseif s==NH:: for list==t:: if numeric list:: PAs((_N,list),~~nl,'`_size_a,(_H,list))
- elseif pair list:: PAs(list) fi endfor
- elseif s==SOO:: for list==t:: PAs((_S,list),(_set_adr,list),
- ^^35,~~dm,(_set_psA,O),^^-35,~~dm,(_set_psA,O)) endfor
- elseif s==SO:: for list==t::
- if numeric list:: PAs((_S,list),(_set_adr,list),~~dm,(_set_psA,O))
- elseif pair list:: PAs(list) fi endfor
+vardef change_atom(text t)(expr e)=
+ sub_int:=sub_int+1;
+ cntD[sub_int]:=0;
+ if known e:: if numeric e::
+ if (e>=H)and(e<=U)::
+ if e==N:: PP(t)(_N)
+ elseif e==O:: PP(t)(_O)
+ elseif e==S:: PP(t)(_S)
+ else:: PX(t)(_chg_atom,e)
+ fi
+ elseif e==NH:: PA(_set_clr,1) PP(t)(_N) PX(t)(_postH,H) PA(_set_clr,0)
+ elseif e==JP_AT:: PA(_jp_atom,t)
fi
- elseif pair s:: nE:=xpart(s); nF:=ypart(s); PA(_set_clr,1)
- for list==t::
- if numeric list::
- if nE==_postA:: elseif nE==_postB:: PAs(~~dm)
- elseif nE==_postC:: PAs(~~wf) elseif nE==_postD:: PAs(~~zf)
- elseif nE==_postE:: PAs(~~nl) elseif nE==_postF:: PAs(~~0)
- fi
- PA(_set_adr,list) PA(_set_psA,nF)
- elseif pair list:: PAs(list) fi
- endfor
- PA(_set_clr,0)
- elseif color s:: color_list[incr cntC]:=s;
- for list==t:: PA(_set_adr,list) PA(_set_colorA,cntC) endfor fi fi
- cntD[def_int]:=nA;
- def_int %------- Retern value -------
+ elseif pair e:: PA(_set_clr,1) PX(t)(xpart(e),ypart(e)) PA(_set_clr,0)
+ elseif color e:: color_list[incr cntC]:=e; PX(t)(_set_colorA,cntC)
+ fi fi
+ sub_int %------- Retern value -------
enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
def ext_setup=
@@ -362,9 +364,9 @@
%--------------------------------------------------------------------------------------------------
def ext(text s)=
begingroup
- save wd,ht,n,l,p,sp,ep,am,em,aw,A,B,currentscale;
+ save wd,ht,n,l,p,am,em,aw,A,B,Bs,Be,currentscale;
numeric A[]bra,B[]ang;
- pair p[],A[],B[],sp,ep;
+ pair p[],A[],B[],Bs[],Be[];
ext_setup;
wd:=mol_wd;
ht:=mol_ht;
@@ -374,7 +376,11 @@
An:=cntA;
Bn:=cntB;
for i=1 upto An: A[i]:=posA[i]; A[i]bra:=ang_br[i]; endfor
- for i=1 upto Bn: sp:=posA[sB[i]]; ep:=posA[eB[i]]; B[i]:=0.5[sp,ep]; B[i]ang:=angB[i]; endfor
+ for i=1 upto Bn:
+ Bs[i]:=posA[sB[i]]; Be[i]:=posA[eB[i]];
+ B[i]:=0.5[Bs[i],Be[i]];
+ B[i]ang:=angB[i];
+ endfor
s addto mol_stru[cntM] also currentpicture; clearit;
endgroup;
enddef;
@@ -460,6 +466,29 @@
angle direction .5ahlength/length(point 1 of p - point 0 of p) of p
enddef;
%=================================================================================================
+def sub_add(expr a,b)=
+ cntD[sub_int]:=cntD[sub_int]+1; comD[sub_int][cntD[sub_int]]:=a; parD[sub_int][cntD[sub_int]]:=b;
+enddef;
+def sub_add_op(expr a,b)=
+ op_cnt[cntP]:=op_cnt[cntP]+1; op_com[cntP][op_cnt[cntP]]:=a; op_par[cntP][op_cnt[cntP]]:=b;
+enddef;
+def sub_pro(text t)(expr a)=
+ for list==t::
+ if list>=sub_int_start:: for i==1 upto cntD[list]:: sub_add(a,parD[list][i]) endfor
+ else:: sub_add(a,list) fi
+ endfor
+enddef;
+def sub_ext(text t)(expr a,b)=
+ for list==t::
+ if list>=sub_int_start::
+ for i==1 upto cntD[list]::
+ if comD[list][i]<>_numeric:: sub_add(comD[list][i],parD[list][i])
+ else:: sub_add(_set_adr,parD[list][i]) sub_add(a,b) fi
+ endfor
+ else:: sub_add(_set_adr,list) sub_add(a,b) fi
+ endfor
+enddef;
+%-------------------------------------------------------------------------------------------------
def MCa(expr FW,FH)(text s)= MCd(1,1)(FW,FH)(s) enddef;
def MCc(expr RW,RH)(text s)= MCd(RW,RH)(0.5,0.5)(s) enddef;
def MCf(text s)= MCd(1,1)(0.5,0.5)(s) enddef;
@@ -467,15 +496,14 @@
def MCd(expr RW,RH)(expr FW,FH)(text TX)=
begingroup
save com,par,adrA,adrB,f_bra,envT,envB,lenT,lineT,strAT,stkA,stkB,stkL,stkM,cntP,bondL,temp_len,
- temp_cntB,f_end,f_term,rotT,adrS,f_lineT,f_rotT,f_lenT,f_envT,angT,tempB,glu,xpos,ypos,
+ temp_cntB,f_end,f_term,rotT,adrS,f_at,f_lineT,f_rotT,f_lenT,f_envT,angT,tempB,glu,xpos,ypos,
str_len,max_x,max_y,par_s,par_e,score_u,hat,f_char,ps_adr,ps_com,op_com,op_par,op_cnt,crR,
- colorA,colorB;
+ colorA,colorB,PA,PO,PP,PX;
%-----------------------------------------------------------------------------------------------
- save PA,PAs,PP,PG;
- def PA(expr a,b)= comD[def_int][incr nA]:=a; parD[def_int][nA]:=b; enddef;
- def PAs(text t)= for list==t:: PA(xpart(list),ypart(list)) endfor enddef;
- def PP(expr a,b)= op_com[cntP][incr op_cnt[cntP]]:=a; op_par[cntP][op_cnt[cntP]]:=b; enddef;
- def PG(expr a,b)= comD[0][incr cntD[0]]:=a; parD[0][cntD[0]]:=b; enddef;
+ def PA= sub_add enddef;
+ def PO= sub_add_op enddef;
+ def PP= sub_pro enddef;
+ def PX= sub_ext enddef;
%-----------------------------------------------------------------------------------------------
numeric stkB[],stkA[],stkL[],stkM[],f_char[],ps_adr[],ps_com[],colorA[],colorB[],
op_com[][],op_par[][],op_cnt[];
@@ -482,8 +510,8 @@
%-----------------------------------------------------------------------------------------------
if (sw_numberA>=1)or(sw_numberB>=1): ratio_atom_bond:=0.25; fi
if (sw_expand=1)or(sw_MOLout=1): expand_set; fi
- def_num:=def_usr_start;
- def_int:=def_int_start;
+ sub_usr:=sub_usr_start;
+ sub_int:=sub_int_start;
par_s:=ASCII("{"); par_e:=ASCII("}"); score_u:=ASCII("_"); hat:=ASCII("^");
cntA:=cntB:=cntP:=cntC:=0; strD[0]:=""; str_cnt:=2000; crR:=-ratio_chain_ring;
%===============================================================================================
@@ -514,7 +542,7 @@
if (sw_numberA>=1)and(i>=numberA_start)and(i<=numberA_end):
if sw_numberA=2: nA:=i-numberA_start+1;
elseif sw_numberA=3: if numberA_end<cntA: nA:=numberA_end-i+1; else: nA:=cntA-i+1; fi
- else: nA:=i; fi
+ else: nA:=i; fi
if i<10: draw_atom(i,posA[i],0,decimal(nA),1);
else: draw_atom(i,posA[i]+(-.2atom_wd,0),0,decimal(nA),1); fi
elseif sw_numberB>=1:
@@ -530,16 +558,20 @@
addto mol_stru[cntM] also currentpicture;
clearit;
endgroup;
+ %--------------------------------------------------------------------------------------------------
+%%%% message "count of usr ="& decimal(sub_usr) &" "& decimal(sub_usr-sub_usr_start);
+%%%% message "count of int ="& decimal(sub_int) &" "& decimal(sub_int-sub_int_start);
+ %--------------------------------------------------------------------------------------------------
enddef;
%-------------------------------------------------------------------------------------------------
def ps_put(expr n,p)=
ps_adr[incr cntP]:=n; ps_com[cntP]:=p; op_cnt[cntP]:=0;
- if lineT<>0: PP(_tmp_line,lineT) fi
- if rotT<>0: PP(_rot_ang,rotT) fi
- if lenT<>crR: PP(_chg_len,lenT) fi
- if envT<>hz: PP(_chg_env,envT) fi
- if lineT=nl: PP(_chg_len,_size_a) PP(_adj_ang,0) fi
- if lineT<>0: PP(_mk_bond,0) fi
+ if lineT<>0: PO(_tmp_line,lineT) fi
+ if rotT<>0: PO(_rot_ang,rotT) fi
+ if lenT<>crR: PO(_chg_len,lenT) fi
+ if envT<>hz: PO(_chg_env,envT) fi
+ if lineT=nl: PO(_chg_len,_size_a) PO(_adj_ang,0) fi
+ if lineT<>0: PO(_mk_bond,0) fi
if f_lineT=0: lineT:=si; fi
if f_lenT=0: lenT:=crR; fi
if f_rotT=0: rotT:=0; fi
@@ -547,13 +579,15 @@
enddef;
%-------------------------------------------------------------------------------------------------
def ps_get(expr n)=
+ save sub_int;
+ sub_int:=0;
nA:=cntP;
nB:=cntD[0];
for i=n upto cntP:
- PG(_jp_atom_abs,ps_adr[i]) PG(_push,1)
- for j=1 upto op_cnt[i]: PG(op_com[i][j],op_par[i][j]) endfor
- for j=1 upto cntD[ps_com[i]]: PG(comD[ps_com[i]][j],parD[ps_com[i]][j]) endfor
- PG(_pop,1) PG(_term,0)
+ PA(_jp_atom_abs,ps_adr[i]) PA(_push,1)
+ for j=1 upto op_cnt[i]: PA(op_com[i][j],op_par[i][j]) endfor
+ for j=1 upto cntD[ps_com[i]]: PA(comD[ps_com[i]][j],parD[ps_com[i]][j]) endfor
+ PA(_pop,1) PA(_term,0)
endfor
proc_bond_atom(nB+1); if cntP>nA: ps_get(nA+1); fi
enddef;
@@ -615,7 +649,7 @@
enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
def proc_bond_atom(expr n)=
- f_bra:=f_end:=f_term:=rotT:=adrS:=f_lineT:=f_rotT:=f_lenT:=f_envT:=envT:=envB:=strAT:=0;
+ f_bra:=f_end:=f_term:=rotT:=adrS:=f_lineT:=f_rotT:=f_lenT:=f_envT:=envT:=envB:=strAT:=f_at:=0;
stkL[0]:=bondL:=crR; lenT:=crR; sB[0]:=0; eB[0]:=1; lineT:=si;
for i=0 upto 5: stkA[i]:=stkB[i]:=0; endfor
%-----------------------------------------------------------------------------------------------
@@ -630,15 +664,15 @@
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;
- elseif com=_set_psA: ps_put(getA(adrT),par);
- elseif com=_postA: ps_put(cntA+1,par);
- elseif com=_postB: lineT:=dm; ps_put(cntA+1,par);
- elseif com=_postC: lineT:=wf; ps_put(cntA+1,par);
- elseif com=_postD: lineT:=zf; ps_put(cntA+1,par);
- elseif com=_postE: lineT:=nl; ps_put(cntA+1,par);
- elseif com=_postF: lineT:=0; ps_put(cntA+1,par);
- elseif com=_jp_bond: tempB:=getB(par); sB[cntB+1]:=sB[tempB]; f_bra:=1;
- elseif com=0or_jp_atom: termA; sB[cntB+1]:=getA(par); f_bra:=1;
+ elseif com=_postA: if f_at=1: ps_put(getA(adrT),par); else: ps_put(cntA+1,par); fi
+ elseif com=_postB: lineT:=dm; if f_at=1: ps_put(getA(adrT),par); else: ps_put(cntA+1,par); fi
+ elseif com=_postC: lineT:=wf; if f_at=1: ps_put(getA(adrT),par); else: ps_put(cntA+1,par); fi
+ elseif com=_postD: lineT:=zf; if f_at=1: ps_put(getA(adrT),par); else: ps_put(cntA+1,par); fi
+ elseif com=_postE: lineT:=nl; if f_at=1: ps_put(getA(adrT),par); else: ps_put(cntA+1,par); fi
+ elseif com=_postF: lineT:=0; if f_at=1: ps_put(getA(adrT),par); else: ps_put(cntA+1,par); fi
+ elseif com=_postH: lineT:=nl; lenT:=_size_a; ps_put(getA(adrT),par);
+ elseif com=_jp_bond: termA; tempB:=getB(par); sB[cntB+1]:=sB[tempB]; f_bra:=1;
+ elseif com=_jp_atom: termA; sB[cntB+1]:=getA(par); f_bra:=1;
elseif com=_jp_atom_abs: sB[cntB+1]:=par; f_bra:=1; temp_cntB:=cntB;
elseif com=_chg_atom: numS[getA(adrT)]:=parD[par][1];
elseif com=_N: numS[getA(par)]:=parD[N][1];
@@ -661,9 +695,11 @@
elseif com=_chg_env: envB:=par;
elseif com=_tmp_env: envT:=par;
elseif com=_set_clr:
- if par=1: if lineT<>si: f_lineT:=1; fi if rotT<>0: f_rotT:=1; fi
- if lenT<>crR: f_lenT:=1; fi if envT<>hz: f_envT:=1; fi fi
- if par=0: f_lineT:=f_rotT:=f_lenT:=f_envT:=rotT:=envT:=0; lineT:=si; lenT:=crR; fi
+ f_at:=par;
+ if par=1: if lineT<>si: f_lineT:=1; fi if rotT<>0: f_rotT:=1; fi
+ 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;
@@ -682,7 +718,7 @@
enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
def proc_skeleton=
- adrA:=adrB:=cntA:=cntB:=angT:=adrS:=f_end:=f_bra:=rotT:=f_term:=0;
+ adrA:=adrB:=cntA:=cntB:=angT:=adrS:=f_end:=f_bra:=rotT:=f_term:=f_at:=0;
envT:=envB:=f_lineT:=f_rotT:=f_lenT:=f_envT:=stkM[0]:=0; lineT:=si;
angA[0]:=angB[0]:=ang_br[0]:=0; posA[0]:=posBs:=posBe:=(0,0);
for i=0 upto 5: stkA[i]:=stkB[i]:=0; endfor
@@ -694,9 +730,9 @@
elseif par=0: temp_len:=bondL; 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 com=_jp_bond: tempB:=getB(par); posBs:=posA[sB[tempB]];
- angT:=angB[tempB]-180; f_bra:=1; rotT:=0;
- elseif com=0or_jp_atom: termB; adrT:=getA(par); posBs:=posA[adrT];
+ 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];
angT:=ang_br[adrT]; f_bra:=1; rotT:=0;
elseif com=_jp_atom_abs: adrT:=par; posBs:=posA[adrT];
angT:=ang_br[adrT]; f_bra:=1; rotT:=0; temp_cntB:=cntB;
@@ -705,10 +741,10 @@
elseif com=_mk_bond: if (par=0)and(rotT<>0):par:=rotT; rotT:=0; fi add_bond(par);
elseif com=_rot_ang: angT:=(angT+par) mod 360;
elseif com=_tmp_rot: rotT:=par;
- elseif (com>=_postA)and(com<=_postE): rotT:=0;
+ elseif (com>=_postA)and(com<=_postH): rotT:=0;
elseif com=_chg_env: envB:=par;
elseif com=_tmp_env: envT:=par;
- elseif com=_set_clr: f_clr:=par; if par=0: lineT:=si; lenT:=crR; rotT:=envT:=0; fi
+ elseif com=_set_clr: f_at:=par; if par=0: lineT:=si; lenT:=crR; rotT:=envT:=0; fi
elseif com=_cyc: f_end:=1; proc_cyc(getA(par));
elseif com=_cyc_sB: f_end:=1; proc_cyc(sB[getB(par)]);
elseif com=_cyc_eB: f_end:=1; proc_cyc(eB[getB(par)]);
@@ -754,7 +790,7 @@
else :glu:=glu+((cosd(nB)*.5atom_wd)++.5atom_wd) fi fi
enddef;
vardef proc_env(expr n,m,a,b)= r:=(n mod 360);
- if m>=def_emb_start: parD[m][cntB-temp_cntB] else:
+ if m>=sub_emb_start: parD[m][cntB-temp_cntB] else:
if m=hz:if r=0:a elseif r<=90:b elseif r<=180:a elseif r<270:b else:a fi
elseif m=vt:if r=0:b elseif r<90:a elseif r<=180:b elseif r<=271:a else:b fi
elseif (m>=-180)and(m<=180): m fi fi
@@ -871,7 +907,7 @@
pB:=nA[PA,PB]--nA[PB,PA]; pC:=pA:=Ls--Le; fi
enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-def_num:=def_emb_start;
+sub_usr:=sub_emb_start;
%-------------------------------------------------------------------------------------------------
lr:='(60 for i==1 upto 10:: ,-60,60 endfor); rl:='(-60,lr);
def ring expr n= <((-180 DIV n)-90),(_chg_len,0),
@@ -896,11 +932,12 @@
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^}");
+JP_AT:='();
%-------------------------------------------------------------------------------------------------
plus:='("+"); minus:='("-"); HH:='("H{_2_}"); NH:='(N,*/*H); NnoH:='(); SO:='(S,//O);
SOO :='(S,//O^-35,//O^35); 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_}"); NMe:=N!:='(N,/Me); iPr:=Me!:='(60,-2\); tBu:='(60,-2\,-3*,60);
+SO3:='("S{O_3_}"); NMe:=N!:='(N,/Me); iPr:=Me!:='(/Me,60); tBu:='(/Me,/Me^60,60);
OMe:=O!:='(O,!); OEt:=O!2:='(O,!2); OPr:=O!3:='(O,!3); OiPr:=OMe!:='(O,!,iPr);
SMe:=S!:='(S,!); SEt:=S!2:='(S,!2); SPr:=S!3:='(S,!3); SiPr:=SMe!:='(S,!,iPr);
COOMe:=COO!:='(//O,!,O,!); COMe:=CO!:='(//O,!); COEt:=CO!2:='(//O,!2);
@@ -918,6 +955,8 @@
CO_OH:='(//O,!,O,!,H); C_N:='(!~tm,N); N_HH:='(N,/H,60,H); N_OO:='(N,//O,60~dm,O);
S_H:='(S,!,H); N_H:='(N,/H); C_HHH:='(/H,/H^60,60,H);
%--------------------------------------------------------------------------------------------------
+%%%%%%message "count of sub_usr =" & decimal(sub_usr);
+%--------------------------------------------------------------------------------------------------
def expand_set=
save CH,NH,NO,OH,CHO,COOH,CN,SH;
CH3:=C_HHH; NH:=N_H; NH2:=N_HH; NO2:=N_OO; OH:=O_H; CHO:=CO_H; COOH:=CO_OH; CN:=C_N; SH:=S_H;
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