diff options
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/README | 3 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf | 44 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf | bin | 259937 -> 259852 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex | 4 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf | 16 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf | bin | 318944 -> 320618 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex | 21 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf | bin | 120786 -> 120725 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex | 4 | ||||
| -rw-r--r-- | Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf | 39 |
10 files changed, 62 insertions, 69 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README index 04bd1bfe190..d568907530c 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/README +++ b/Master/texmf-dist/doc/metapost/mcf2graph/README @@ -1,7 +1,7 @@ ******************************************************************************** mcf2graph : Convert Molecular Coding Format to graphics with Metafont/Metapost Author : Akira Yamaji - version : 3.70 2015-09-16 + version : 3.71 2015-09-18 E-mail : akira.yamaji5@gmail.com Located at : http://mirror.ctan.org/pkg/graphics/mcf2graph Home page : http://molecoding.cocolog-nifty.com/blog/ @@ -119,3 +119,4 @@ ver. 3.63 / 2015-09-14 add command option of numbering address, update MCF syntax manual ver. 3.70 / 2015-09-16 add new command | ,change syntax of !,!!,?,?? + ver. 3.71 / 2015-09-18 delete command !!,?? diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf index 835f45493fa..db19da23bfd 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf @@ -32,7 +32,7 @@ endfont %*********************************************************************** beginfont("EN:Ethofenprox") MCf(^^30, - Ph,5\,!,Ph,3\,O,!3,/Me^35,/Me^-35,!,Ph,4:/OEt + Ph,5\,!,|,Ph,3\,O,!3,/Me^35,/Me^-35,!,|,Ph,4:/OEt ) endfont %*********************************************************************** @@ -44,7 +44,7 @@ endfont %*********************************************************************** beginfont("EN:Tebufenozide") MCf(^^30, - Ph,6:/Et,3\,//O,!,NH,!,N,/tBu,!,//O,!,Ph,@(3,5)/Me + Ph,6:/Et,3\,//O,!,NH,!,N,/tBu,!,//O,!,|,Ph,@(3,5)/Me ) endfont %*********************************************************************** @@ -56,14 +56,14 @@ endfont %*********************************************************************** beginfont("EN:Fenitrothion") MCf(^^30, - !,O,!,P,//S,/OMe^160,!,O,!,Ph,3:/Me,4:/NO2 + !,O,!,P,//S,/OMe^160,!,O,!,|,Ph,3:/Me,4:/NO2 ) endfont %*********************************************************************** beginfont("EN:Permethrin") MCf(^^-30, ?3,2^-35:*/Me,2^35:/*Me,1\,!~dl,/Cl,!,Cl, - 3\,//O,!,O,!2,Ph,3\,O,-60,Ph + 3\,//O,!,O,!2,|,Ph,3\,O,-60,Ph ) endfont %*********************************************************************** @@ -75,7 +75,7 @@ endfont %*********************************************************************** beginfont("EN:Azoxystorbin") MCf(^^30, - Ph,2:/OH,3\,O,!,Ph,@(4,6)N,3\,O,!,Ph,2\,/OMe,!,//O,!,O,! + Ph,2:/OH,3\,O,!,|,Ph,@(4,6)N,3\,O,!,|,Ph,2\,/OMe,!,//O,!,O,! ) endfont %*********************************************************************** @@ -87,7 +87,7 @@ endfont %*********************************************************************** beginfont("EN:Iprodion") MCf(^^18, - ?5,@(3,5)N,2://O,5\,!,NHiPr,3\,Ph,@(3,5)/Cl + ?5,@(3,5)N,2://O,5\,!,NHiPr,3\,|,Ph,@(3,5)/Cl ) endfont %*********************************************************************** @@ -99,7 +99,7 @@ endfont %*********************************************************************** beginfont("EN:Oxine-Copper") MCf( - Ph,4:N,5=Ph,-4\,O,-60,^^90,Cu,-90,O,60,Ph,5=Ph,4:N, + Ph,4:N,5=Ph,-4\,O,-60,^^90,Cu,-90,O,60,|,Ph,5=Ph,4:N, #4*,&(#12)~vf,#23*,&(#12)~vf ) endfont @@ -118,7 +118,7 @@ endfont %*********************************************************************** beginfont("EN:Tetraconazole") 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)d,@(1,2,4)N,4\,!3,O,!,/F^35,/F^-35,!,CF2,#7\,|,Ph,@(4,6)/Cl ) endfont %*********************************************************************** @@ -131,13 +131,13 @@ endfont; %*********************************************************************** beginfont("EN:Flutolanil") MCf(^^30, - Ph,2:/CF3,3\,//O,!,NH,!,Ph,6:/OiPr + Ph,2:/CF3,3\,//O,!,NH,!,|,Ph,6:/OiPr ) endfont %*********************************************************************** beginfont("EN:Propiconazole") MCf(^^-6, - ?5,$(2,5)d,@(1,3,4)N,4\,!2,Ph,@(4,6)/Cl,#7\,|,?5,@(2,5)O,3:/Bu^24 + ?5,$(2,5)d,@(1,3,4)N,4\,!2,|,Ph,@(4,6)/Cl,#7\,|,?5,@(2,5)O,3:/Bu^24 ) endfont %*********************************************************************** @@ -161,7 +161,7 @@ endfont %*********************************************************************** beginfont("EN:Oxaziclomefone") MCf(^^30, - ?6,4:N,2:O,1:/Me,5://O,6:/Ph,4\,/Me^35,/Me^-35,!,Ph,@(3,5)/Cl + ?6,4:N,2:O,1:/Me,5://O,6:/Ph,4\,/Me^35,/Me^-35,!,|,Ph,@(3,5)/Cl ) endfont %*********************************************************************** @@ -173,19 +173,19 @@ endfont %*********************************************************************** beginfont("EN:Cyclosulfamuron") MCf(^^30, - Ph,5\,//O,!,?3,4\,NH,!,SOO,!,NH,!,//O,!,NH,!,Ph,@(2,6)N,@(3,5)/OMe + Ph,5\,//O,!,?3,4\,NH,!,SOO,!,NH,!,//O,!,NH,!,|,Ph,@(2,6)N,@(3,5)/OMe ) endfont %*********************************************************************** beginfont("EN:Napropamide") MCf(^^-30, - Ph,3=ph,10\,O,!,/Me^35,/Me^-35,!,//O,!,N,/Et,! + Ph,3=Ph,10\,O,!,/Me^35,/Me^-35,!,//O,!,N,/Et,! ) endfont %*********************************************************************** beginfont("EN:Pyributicarb") MCf(^^30, - Ph,5:/tBu,3\,//O,!,S,!,N,/Me,!,Ph,@(5,6)/Me,3:/OMe + Ph,5:/tBu,3\,//O,!,S,!,N,/Me,!,|,Ph,@(5,6)/Me,3:/OMe ) endfont %*********************************************************************** @@ -311,8 +311,8 @@ endfont %*********************************************************************** beginfont("EN:Chlorophyll a") MCf(^^54, - {,``1,??5,$(2,5)dl,4:N,3\,54~dl,??5,$(2,4)dl,5:N, - -2\,54~dl,??5,2=d,5:N,-2\~dl,54,??5,5=d,5:N,-2\~dl,&(#5), + {,``1,?5,$(2,5)dl,4:N,3\,54~dl,|,?5,$(2,4)dl,5:N, + -2\,54~dl,|,?5,2=d,5:N,-2\~dl,54,|,?5,5=d,5:N,-2\~dl,&(#5), -1*,24,/*COOMe^15,72,//O,&(#1),}, @(2,9,15,20~zf)/Me,8:/Et,14\,!~dr, #4\`1.45,Mg,&17,-1*,&11~vb,-1*,&23~vb, @@ -369,7 +369,7 @@ endfont %********************************************************************** beginfont("EN:Qercetin") MCf(^^30, - Ph,3=?6,9\,ph,9=dl,10:O,7://O,@(2,6,8,13,14)/OH + Ph,3=?6,9\,Ph,9=dl,10:O,7://O,@(2,6,8,13,14)/OH ) endfont %*********************************************************************** @@ -384,8 +384,8 @@ endfont %********************************************************************** beginfont("EN:Cromolyn") MCf(^^30, - Ph,|,-1=?6,3:d,-4:O,-1://O,-3:/COOH, - #2\,O,!2,/OH,!2,O,60,Ph,|,-5=?6,3=d,-1:O,-4://O,-2:/COOH + 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 ) endfont %********************************************************************** @@ -444,7 +444,7 @@ endfont %*********************************************************************** beginfont("EN:Podophyllotoxin"); MCf(^^0, - ?5,@(2,5)O,-3=ph2,-3=?6,-3=?5,-2:O,-1=wb,-3://O, + ?5,@(2,5)O,-3=Ph2,-3=?6,-3=?5,-2:O,-1=wb,-3://O, 10\*,Ph,@(-2,-3,-4)/OMe,#13:/*OH,@(#11~wf^-60,#12~zf^60)/H ) endfont; @@ -477,7 +477,7 @@ beginfont("EN:Reserpine"); MCf(^^30, Ph,-4=?5,-2=?6,-4=?6,-3=?6,9=dl,11:N,7:NH,10:*/H^-60, @(15^-60,16^60)/*H, - #20*\,O,!,//O,!,Ph,@(-2,-3,-4)/OMe,@(#1,#19~zf>rl)/OMe, + #20*\,O,!,//O,!,|,Ph,@(-2,-3,-4)/OMe,@(#1,#19~zf>rl)/OMe, #18*\,//O,!,O,! ) endfont; @@ -551,7 +551,7 @@ endfont %*********************************************************************** beginfont("EN:Quinine") MCf(^^30, - Ph,3=ph,7:N,6:/OMe, + Ph,3=Ph,7:N,6:/OMe, 10\,*/OH,/H~zf^-60,!, |,?6,2:N,1:*/H^60,4*\,!~dr,2*,165~zf,60,&5~zb ) diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf Binary files differindex 8489ba4ea05..1c133333f09 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex index 762d408eba0..47fcaef4e81 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2015.9.16 +% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2015.9.18 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage{graphicx} @@ -57,7 +57,7 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \begin{document} {\hspace{20mm} \LARGE\bf Molecular Coding Format examples \hspace{10mm} }% -{\footnotesize\bf by Akira Yamaji 2015.9.16} \vspace{5mm}\\ +{\footnotesize\bf by Akira Yamaji 2015.9.18} \vspace{5mm}\\ \fontnum=1% \noindent% %------------------------------------------------------------------------ diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf index 1b2c7250b0b..24c657db875 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2015.9.16 +% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2015.9.18 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% input mcf2graph.mf; %----------------------------------------------------------------------- @@ -64,7 +64,7 @@ endfont %*********************************************************************** beginfont("EN:change bond length3") sw_start_vector:=1; - MCf(^^30,?6,3\,??6`1.2,4=?6) + MCf(^^30,?6,3\,|,?6`1.2,4=?6) endfont %*********************************************************************** beginfont("EN:change atom 1") @@ -85,10 +85,10 @@ beginfont("EN:change atom 3") endfont %*********************************************************************** beginfont("EN:change atom 4") - MCd(.5,.5)(.5,.9)(?6,4\,??6,2:N) + MCd(.5,.5)(.5,.9)(?6,4\,|,?6,2:N) sw_numberA:=2; numberA_start:=7; - MCd(.5,.5)(.5,.1)(?6,4\,??6) + MCd(.5,.5)(.5,.1)(?6,4\,?6) endfont %*********************************************************************** beginfont("EN:change atom 5") @@ -98,9 +98,9 @@ beginfont("EN:change atom 5") endfont %*********************************************************************** beginfont("EN:change atom 6") - MCd(.5,.5)(.5,.9)(?6,4\,??6,-2:N) + MCd(.5,.5)(.5,.9)(?6,4\,?6,-2:N) sw_numberA:=3; - MCd(.5,.5)(.5,.1)(?6,4\,??6) + MCd(.5,.5)(.5,.1)(?6,4\,?6) endfont %*********************************************************************** beginfont("EN:fused ring 1") @@ -113,7 +113,7 @@ endfont beginfont("EN:fused ring 1") sw_start_vector:=1; sw_numberB:=1; - MCf(^^30,?6,$(3,9)?6) + MCf(^^30,?6,$(-3,-4,-4,-2,-2,-4,-4)?6) endfont %*********************************************************************** beginfont("EN:fused ring 2") @@ -255,7 +255,7 @@ endfont beginfont("EN:alfa-Tocopherol") MCf(^^30, Ph,3=?6,7:O,@(1,2,5)/Me,8:/*Me^60,6:/OH, - 8\,!12,@(4,8)/*Me,12:/Me + 8\,|,!12,@(4,8)/*Me,12:/Me ) endfont %*********************************************************************** diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf Binary files differindex 059d99addac..90c80a5b7a7 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex index 14b31722ee9..ba72be66e32 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format manual by Akira Yamaji 2015.9.16 +% Molecular Coding Format manual by Akira Yamaji 2015.9.18 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage[dvipdfmx]{graphicx} @@ -34,7 +34,7 @@ \noindent% \begin{picture}(180,0) \put(20,9){{\LARGE\bf Molecular Coding Format manual}\hspace{10mm} - by Akira Yamaji 2015.9.16} + by Akira Yamaji 2015.9.18} \end{picture}\vspace{-4.2mm}\\ %---------------------------------------------------------------------------- \begin{minipage}[t][38mm]{100mm} @@ -55,10 +55,9 @@ bold arrow is default angle and position !,: take 60 or -60 depend on current angle and enviroment - !6 (!!6) + !6 ** !6: !,!,!,!,!,! - !!6: {,!6,} \end{verbatim} \end{minipage} \MCFstructure @@ -69,10 +68,10 @@ bold arrow is default angle and position \begin{verbatim} six membered ring - ?6 (??6) + ?6 - ** ?6 :^^-120,60,60,60,60,60,&(-5) - ??6 : {,?6,} + ** ?6 : ^^-120,60,60,60,60,60,&1 + &1 : make bond connect to A1 \end{verbatim} \end{minipage} @@ -146,7 +145,7 @@ Bn`length : change bond length at Bn \begin{verbatim} ?n`length : change ring length - ^^30,?6,3\,|,?6`1.2,4=??6 + ^^30,?6,3\,|,?6`1.2,4=?6 \end{verbatim} \end{minipage} \MCFstructure @@ -240,10 +239,8 @@ Bn(n:numeric): bond number \MCFtitle{Fuse multi ring (attached 1 bond)} \begin{verbatim} -?6,$(3,3)?6 => NG ?6,$(3,3)??6 => OK -?6,$(3,9)?6 => OK ?6,$(3,9)??6 => NG -?6,$(-4,-3)?6 => OK ?6,$(-4,-3)??6 => OK -?6,$(#3,#9)?6 => OK ?6,$(#3,#9)??6 => OK +?6,$(-3,-4,-4,-2,-2,-4,-4)?6 +?6,$(4,8,13,20,25,28,33)?6 \end{verbatim} \end{minipage} diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf Binary files differindex a143856b249..c40c0a252ed 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex index 6e00c56a63e..32164f47499 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2015.9.16 +% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2015.9.18 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass{article} %------------------------------------------------------------------------------- @@ -61,7 +61,7 @@ %------------------------------------------------------------------------------------ \begin{document} {\Large\bf MCF example for luamplib(LuaLaTeX) }% - \hspace{10mm} by Akira Yamaji 2015.9.16\vspace{6mm}\\ + \hspace{10mm} by Akira Yamaji 2015.9.18\vspace{6mm}\\ %------------------------------------------------------------------------------------ {{\small {\tt FM(C) :} molecular formula calculated by mcf2graph}\\ {{\small {\tt MW(C) :} molecular weight calculated by mcf2graph}\\ diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf index 114c0881621..d3e7e1b3b02 100644 --- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf +++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% mcf2graph ver 3.70 Copyright (c) 2013-2015 Akira Yamaji +% mcf2graph ver 3.71 Copyright (c) 2013-2015 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, @@ -37,7 +37,7 @@ pair posB[],posA[],pairT,Ls,Le,pairA; numeric angB[],angA[],br_ang[],sB[],eB[],f_FON[],atom_w[],atom_h[],atom_d[],strA[],stkB[], stkA[],stkL[],stkM[],strW[],lineB[],lenB[],ps_com[],ps_adr[],ps_len[],ps_rot[], ps_env[],comMC[][],parMC[][],stock_p[],cntMC[],colorA[],colorB[],tblN[],tblB[][], - wtA[],sumA[],CH[],NH[],NO[],SO[],CCl[],CF[],CBr[],??[],?[],|?[],![],!![],Ph[],ph[]; + wtA[],sumA[],CH[],NH[],NO[],SO[],CCl[],CF[],CBr[],?[],![],Ph[]; path pA,pB,pC,pT; string info[],tblA[],com_str[],calc_formula,mp_log_name,mol_name,mol_formula,calc_weight_str; picture atom_font[],chem_structure,temp_picture; @@ -69,7 +69,7 @@ else: f_MP:=0; clearit; chem_structure:=currentpicture; %------------------------------------------------------------------------------------------------- let DIV= /; let MUL= *; let LT= <; let GT= >; let AND= &; let :: = : ; let == = =; -??3:=??20:=?3:=?20:=Ph:=Ph1:=Ph2:=ph:=ph1:=ph2:=hz:=0; vt:=1; +?3:=?20:=Ph:=Ph1:=Ph2:=hz:=0; vt:=1; first_def_number:=500; user_def_number:=2500; ab_def_number:=3000; unit_e:=1/2048; margin_left_right:=margin_top_bottom:=0.4mm; ratio_chain_ring:= 0.66; ratio_atom_bond:=0.36; ratio_thickness_bond:=0.015; offset_atom#:=0.8pt#; max_bond_width:=0.25; @@ -212,32 +212,31 @@ def ''(expr k)(text s)= begingroup endgroup enddef; %------------------------------------------------------------------------------------------------- -def !?(expr a)(expr b)(expr c) = PB(_jp_bond,a) PB(_get_len,a) PB(_push,c) - PB(_chg_len,_ring_len) for i==1 upto b-2:: PB(_mk_bond,360 DIV b) endfor PB(_pop,c) +def !?(expr a)(expr b) = + PB(_jp_bond,a) PB(_get_len,a) PB(_push,0) + PB(_chg_len,_ring_len) for i==1 upto b-2:: PB(_mk_bond,360 DIV b) endfor PB(_pop,0) if a>=1:: PB(_cyc_eB,0) elseif a<=0:: PB(_cyc_eB,a-b+2) else:: PB(_cyc_eB,a) fi enddef; %------------------------------------------------------------------------------------------------- -def !!?(expr a)(expr b)(expr c)(expr n) = PB(_jp_bond,xpart(a)) PB(_push,n) +def !!?(expr a)(expr b)(expr c) = + PB(_jp_bond,xpart(a)) PB(_push,0) if b==6:: PB(_chg_len,0) for i==1 upto c-1:: PB(_mk_bond,60) endfor elseif b==5:: if c==2:: PB(_chg_len,1.25) PB(_mk_bond,80) elseif c==3:: PB(_chg_len,1.1) PB(_mk_bond,78) PB(_mk_bond,72) fi elseif b==4:: PB(_chg_len,1.225) PB(_mk_bond,105) fi - PB(_pop,n) if ypart(a)<=0:: PB(_cyc_eB,ypart(a)-c+1) else:: PB(_cyc_eB,ypart(a)) fi + PB(_pop,0) if ypart(a)<=0:: PB(_cyc_eB,ypart(a)-c+1) else:: PB(_cyc_eB,ypart(a)) fi enddef; %------------------------------------------------------------------------------------------------- def PB(expr b,c)= comMC[ab_num][incr cntBS]:=b; parMC[ab_num][cntBS]:=c; enddef; -def $$(text t)(expr e) = begingroup save cntBS; cntBS:=0; ab_num:=ab_num+1; +def $$(text t)(expr e) = + begingroup save cntBS; cntBS:=0; ab_num:=ab_num+1; if known e:: if numeric e:: if (e>=si)and(e<=nl):: if e==dl:: for list==t:: PB(_dl,list) endfor else:: for list==t:: PB(_set_adr,list) PB(_set_line,e) endfor fi - elseif (e>=??3)and(e<=??20):: for list==t:: !?(list)(e-??3+3)(1) endfor - elseif (e>=?3)and(e<=?20):: for list==t:: !?(list)(e-?3+3)(0) endfor - elseif e==Ph1:: !?(t)(6)(1) PB(_dl,-2) PB(_dl,-4) - elseif e==Ph2:: !?(t)(6)(1) PB(_dl,-1) PB(_dl,-3) PB(_dl,-5) - elseif e==ph1:: !?(t)(6)(0) PB(_dl,-2) PB(_dl,-4) - elseif e==ph2:: !?(t)(6)(0) PB(_dl,-1) PB(_dl,-3) PB(_dl,-5) - elseif comMC[e][1]==_fuse:: - for list==t:: !!?(list)(parMC[e][1])(comMC[e][2])(parMC[e][2]) endfor fi + elseif (e>=?3)and(e<=?20):: for list==t:: !?(list)(e-?3+3) endfor + elseif e==Ph1:: !?(t)(6) PB(_dl,-2) PB(_dl,-4) + elseif e==Ph2:: !?(t)(6) PB(_dl,-1) PB(_dl,-3) PB(_dl,-5) + elseif comMC[e][1]==_fuse:: for list==t:: !!?(list)(parMC[e][1])(comMC[e][2]) endfor fi elseif color e:: color_list[incr cntC]:=e; for list==t:: PB(_set_adr,list) PB(_set_colorB,cntC) endfor fi fi cntMC[ab_num]:=cntBS; @@ -362,7 +361,7 @@ def proc_bond_atom(expr n)= elseif com=_get_len: if par=0: if bondL=crR: bondL:=lenT; fi else: ringL:=lenB[getB(par)]; fi elseif com=_tmp_len: lenT:=par; elseif com=_set_line: lineB[getB(adrT)]:=par; - elseif com=_dl: lineB[getB(par)]:=dl; + elseif com=_dl: lineB[getB(par)]:=dl; elseif (com=_chg_line)or(com=_tmp_line): lineT:=par; elseif com=_tmp_rot: rotT:=par; elseif com=_cyc: f_end:=getA(par); add_atom; @@ -554,14 +553,10 @@ lr:='(60 for i==1 upto 10:: ,-60,60 endfor); rl:='(-60,lr); def ring expr n=^^((-180 DIV n)-90),(_chg_len,0), for i==2 upto n:: ,(360 DIV n) endfor,(_cyc_sB,1-n) enddef; for i=3 upto 20: ?[i]:='({{,ring i,}}); endfor -for i=3 upto 20: ??[i]:='({,ring i,}); endfor -Ph:=Ph1:='(??6,(_dl,-2),(_dl,-4),(_dl,-6)); Ph2:='(??6,(_dl,-1),(_dl,-3),(_dl,-5)); -ph:=ph1:='(?6, (_dl,-2),(_dl,-4),(_dl,-6)); ph2:='(?6, (_dl,-1),(_dl,-3),(_dl,-5)); +Ph:=Ph1:='(?6,(_dl,-2),(_dl,-4),(_dl,-6)); Ph2:='(?6,(_dl,-1),(_dl,-3),(_dl,-5)); !:='((_mk_bond,_arg_ang)); !0:='(^^180,180); for i=1 upto 20: ![i]:='({{,(_get_len,0),! for j==2 upto i::,! endfor,}}); endfor -for i=1 upto 20: !![i]:='({, (_get_len,0),! for j==2 upto i::,! endfor,}); endfor Me:='(); Et:=!; Pr:='(!,!); Bu:='(!,!,!); -for i=4,5,6: for j=2 upto i-2: ??[i][j]:='((_fuse,i),(j,1)); endfor endfor for i=4,5,6: for j=2 upto i-2: ?[i][j]:='((_fuse,i),(j,0)); endfor endfor %------------------------------------------------------------------------------------------------- H :='("H");C:='("C");N:='("N");O:='("O");F:='("F");S:='("S");P:='("P");I:='("I"); |