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authorKarl Berry <karl@freefriends.org>2015-09-18 22:12:30 +0000
committerKarl Berry <karl@freefriends.org>2015-09-18 22:12:30 +0000
commitb168e0be320a5860a6623ede7a4bef3347304543 (patch)
tree598e7bdd7123ac2505ad89a3417504abfc3b9b4d /Master/texmf-dist
parentc0ae3fe934cc749e817139aac978743bc439e52f (diff)
mcf2graph (18sep15)
git-svn-id: svn://tug.org/texlive/trunk@38400 c570f23f-e606-0410-a88d-b1316a301751
Diffstat (limited to 'Master/texmf-dist')
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/README3
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf44
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdfbin259937 -> 259852 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex4
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf16
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdfbin318944 -> 320618 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex21
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdfbin120786 -> 120725 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex4
-rw-r--r--Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf39
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
index 8489ba4ea05..1c133333f09 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
Binary files differ
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
index 059d99addac..90c80a5b7a7 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
Binary files differ
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
index 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
Binary files differ
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
index 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");