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-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG6
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/README2
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf16
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdfbin235776 -> 236199 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-064.eps675
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf48
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdfbin468590 -> 469776 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex56
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdfbin174090 -> 174306 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex6
-rw-r--r--Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf425
11 files changed, 903 insertions, 331 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
index 657191730db..ace374f67a4 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
@@ -1,6 +1,10 @@
*******************************************************************************
- Changelog of mcf2graph software package by Akira Yamaji 2017-06-04
+ Changelog of mcf2graph software package by Akira Yamaji 2017-07-17
*******************************************************************************
+[ver. 4.24 / 2017-07-17]
+ -atom font can be changed
+ -update MCF syntax manual
+
[ver. 4.23 / 2017-06-04]
-change syntax n*,n\
n* => n:@
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README
index 6fdfa4bbf4b..2a6f9d3f4cc 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/README
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/README
@@ -1,7 +1,7 @@
********************************************************************************
mcf2graph : Convert Molecular Coding Format to graphics with METAFONT/METAPOST
Author : Akira Yamaji
- version : 4.23 2017-06-04
+ version : 4.24 2017-07-17
E-mail : mcf2graph@gmail.com
Located at : http://www.ctan.org/pkg/mcf2graph
********************************************************************************
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
index bcca33b4e03..da7547e107d 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2017.06.04
+% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2017.07.17
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf; %%% it must be version 4.23 or later
+input mcf2graph.mf; %%% it must be version 4.24 or later
%-------------------------------------------------------------------------
font_wd:=33mm;
font_ht:=24mm;
@@ -391,3 +391,15 @@ beginfont("EN:Atoropin","MW:289.375")
endfont
%***************************************************************************
bye
+**************************************************************************
+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)
+endfont
+%***************************************************************************
+bye
+****
+bye
+
+bye
+
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
index 77662a0c034..3faa6d937b8 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_man_soc-064.eps b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-064.eps
index e1776150793..9856d53f03e 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-064.eps
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-064.eps
@@ -1,11 +1,13 @@
%!PS-Adobe-3.0 EPSF-3.0
-%%BoundingBox: -1 -1 66 57
-%%HiResBoundingBox: -0.09962 -0.09962 65.06522 56.58049
-%%Creator: MetaPost 1.9991
-%%CreationDate: 2017.01.29:2040
+%%BoundingBox: -1 -1 212 60
+%%HiResBoundingBox: -0.09962 -0.09962 211.90288 59.64348
+%%Creator: MetaPost 2.000
+%%CreationDate: 2017.07.10:1950
%%Pages: 1
%%DocumentResources: procset mpost-minimal
+%%+ font NJFVSO-NimbusSanL-Regu ICXWUR-CMR8
%%DocumentSuppliedResources: procset mpost-minimal
+%%+ font NJFVSO-NimbusSanL-Regu ICXWUR-CMR8
%%EndComments
%%BeginProlog
%%BeginResource: procset mpost-minimal
@@ -16,85 +18,634 @@
/ScaleFont{dup fmc 0 get Amul 0 exch put dup dup 3 get Amul 3 exch put fmd}bd
/SlantFont{fmc 2 get dup 0 eq{pop 1}if Amul FontMatrix 0 get mul 2 exch put fmd}bd
%%EndResource
+%%BeginResource: font NJFVSO-NimbusSanL-Regu
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+%%CreationDate: Thu Mar 20 10:08:51 2003
+%%Creator: Primoz Peterlin
+%%DocumentSuppliedResources: font NimbusSanL-Regu
+% Copyright (URW)++,Copyright 1999 by (URW)++ Design & Development
+% Generated by PfaEdit 1.0 (http://pfaedit.sf.net/)
+%%EndComments
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+{save true}{false}ifelse}{false}ifelse
+11 dict begin
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+/FontBBox [-174 -285 1001 953 ]readonly def
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+/ItalicAngle 0 def
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+/UnderlinePosition -151 def
+/UnderlineThickness 50 def
+end readonly def
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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 66bc6f1a257..21e5c047ba9 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2017.05.24
+% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2017.07.12
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf; %% it must be version 4.23 or later
+input mcf2graph.mf; %% it must be version 4.24 or later
%------------------------------------------------------------------------
sw_auxout:=0;
sw_mol_frame:=0;
@@ -471,11 +471,21 @@ beginfont("EN:change atom and substituent")
MCf(<30,!2,NH,!2,SO,!2,SOO,!)
endfont
%***********************************************************************
-beginfont("EN:Change color")
- font_ht:=20mm;
+beginfont("EN:Change color,font")
+ font_wd:=75mm;
+ font_ht:=18mm;
sw_clip:=1;
- margin_left_right:=5mm;
- MCf(<30,Ph,{2,5}:N,2:red,5:blue,3=green)
+ sw_label:=1;
+ defaultfont:="uhvr8r";
+ defaultsize:=8bp;
+ atomfontsize:=8bp;
+ margin_left_right:=3mm;
+ MCa(0,0.5)(<30,Ph,{1,5}:N,3:/COOH,4:/NO2,1:red,5:blue,3=green)
+ ext(label.urt("(draw)",p0+(0,ht));)
+ atomfont:="cmr8";
+ atomfontsize:=8bp;
+ MCa(1,0.5)(<30,Ph,{1,5}:N,3:/COOH,4:/NO2)
+ ext(label.urt("(cmr8)",p0+(0,ht));)
endfont
%***********************************************************************
beginfont("EN:Make brock")
@@ -500,14 +510,14 @@ beginfont("EN:not good")
endfont;
%***********************************************************************
beginfont("EN:User definition")
- font_ht:=15mm;
+ font_ht:=12mm;
sw_clip:=1;
iBuOH:='(!,/_,!,OH);
MCf(<30,?6,{4,6}:/iBuOH)
endfont
%***********************************************************************
beginfont("EN:Inline definition")
- font_ht:=15mm;
+ font_ht:=12mm;
margin_left_right:=2mm;
sw_clip:=1;
MCf(<30,!3,/'(!,/_,!,OH),!3)
@@ -916,7 +926,7 @@ beginfont("EN:EXT()")
drawarrow (0.52w,0.5h)..(0.6w,0.5h);
defaultscale:=0.7;
label("+",(0.25w,0.5h));
- label.bot("Diels-Alder Reaction",(0.5w,1h));
+ label.bot("Diels-Alder Reaction",(0.5w,h));
)
endfont
%***********************************************************************
@@ -927,7 +937,7 @@ beginfont("EN:ext()")
ext(
B7:=0.37[Bs7,Be7];
label.top("+",A7);
- drawarrow B3..((B7-B3) scaled 0.6 rotated -45 shifted B3)..B7;
+ drawarrow B3{dir 0}..{dir 150}B7;
)
MCd(1,0.7)(1,0.5)(<30,?6,4://CH3)
ext(
@@ -1062,3 +1072,21 @@ beginfont("EN:Cholesterol","CAS:57-88-5","FM:C27H46O","MW:386.65")
endfont
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
bye
+%%%%%%%%%%%%%%%%%%%%%%%
+bye
+ye
+%%%%%%%%%%
+bye
+%%%%
+bye
+ye
+%%%%%%%%%%
+bye
+%%%%%%%%%%%%%%%%%%%%%%%
+bye
+ye
+%%%%%%%%%%
+bye
+%%%%
+bye
+ye
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
index 312eef77182..e3118dfadd2 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 8fdb87a1527..fa6407cebaf 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 2017.06.04
+% Molecular Coding Format manual by Akira Yamaji 2017.07.17
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
%%%%\usepackage{graphicx}
@@ -534,16 +534,24 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
-\subsubsection{Change color}
+\subsubsection{Change color, atom font}
\begin{verbatim}
- 5:green : change color of A5 green
- 3=red : change color of B3 red
- ** METAFONT ignore color command
+ 1=green : change color of B1 green
+ 3:red : change color of A3 red
+ atomfont:="cmr8" : use cmr8 for atom font
- <30,Ph,{2,5}:N,2:red,5:blue,3=green
+ defaultfont:="uhvr8r";
+ defaultsize:=8bp;
+ MCa(0,0.5)(<30,Ph,{1,5}:N,3:/COOH,4:/NO2,
+ 1:red,5:blue,3=green)
+ ext(label.urt("(draw)",p0+(0,ht));)
+ atomfont:="cmr8"; % default:"draw"
+ atomfontsize:=8bp; % default:8bp
+ MCa(1,0.5)(<30,Ph,{1,5}:N,3:/COOH,4:/NO2)
+ ext(label.urt("(cmr8)",p0+(0,ht));)
\end{verbatim}
+\hspace{5mm}\includegraphics{mcf_man_soc-064.eps}% for dvipdfmx
%%%%\MCFstructure % for Metafont
-\includegraphics{mcf_man_soc-064.eps}% for dvipdfmx
\advance\fontnum\@ne\relax\advance\tempnum\@ne\relax%
%-----------------------------------------------------------------------------
\subsubsection{Make block}
@@ -570,18 +578,15 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
%-----------------------------------------------------------------------------
\subsubsection{User definition}
\begin{verbatim}
- iBuOH : user defined substructure
-
- iBuOH:='(!,/_,!,OH)
- MCf(<30,?6,{4,6}:/iBuOH)
+ user defined substructure
+ iBuOH:='(!,/_,!,OH)
+ <30,?6,{4,6}:/iBuOH
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
-\subsubsection{Inline definition}
\begin{verbatim}
Insert user defined substructure
-
- <30,!3,/'(!,/_,!,OH),!3
+ <30,!3,/'(!,/_,!,OH),!3
\end{verbatim}
\MCFstructure
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
@@ -1067,7 +1072,7 @@ beginfont()
defaultscale:=0.7;
label("+",(0.25w,0.5h));
label.bot("Diels-Alder Reaction",
- (0.5w,1h));
+ (0.5w,h));
)
%---------------------------------------
endfont
@@ -1103,8 +1108,7 @@ beginfont()
ext(
label.top("+",A7);
B7:=0.37[Bs7,Be7];
- drawarrow B3..((B7-B3) scaled 0.6
- rotated -45 shifted B3)..B7;
+ drawarrow B3{dir 0}..{dir 150}B7;
)
%---------------------------------------
MCd(1,0.7)(1,0.5)(<30,?6,4://CH3)
@@ -1122,9 +1126,9 @@ endfont
\MCFstructure
\begin{verbatim}
label:
- sw_label=0: emulation mode
- sw_label=1: plain.mp mode
- **default sw_label=0
+ defaultfont: label font
+ defaultfont="draw": draw font
+ **default defaultfont="draw"
drawarrow & drawdblarrow:
sw_arrow=0: emulation mode
@@ -1311,14 +1315,14 @@ 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
+ 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
+ -1:@,17,/*_,!4,/_,!) > end MCF
endfont > end font
%------------------------------------------------------------------------
beginfont("NO:3","EN:Limonin") > begin font(information)
@@ -1327,20 +1331,20 @@ beginfont("NO:3","EN:Limonin") > begin font(information)
{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
+ 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, >
+ 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
endfont; > end font
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 ab18b688ad0..4ad2bfe7c90 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 b1c902b687d..5888f7073a0 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
@@ -1,11 +1,11 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2017.06.04
+% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2017.07.17
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-%%% mcf2graph.mf it must be version 4.23 or later
+%%% mcf2graph.mf it must be version 4.24 or later
\documentclass{article}
%------------------------------------------------------------------------------
\usepackage{luamplib}%
-\usepackage{lmodern}%
+%%%%%%%\usepackage{lmodern}%
\usepackage[T1]{fontenc}%
\usepackage{textcomp}%
\mplibcodeinherit{enable}%
diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
index 4747e63571f..92631563f66 100644
--- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
+++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 4.23 Copyright (c) 2013-2017 Akira Yamaji
+% mcf2graph ver 4.24 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,
@@ -31,19 +31,19 @@
% Set to use plain.mp label,arrow : mpost -s ahlength=3 FILENAME
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
tracingstats:=1;
-message " This is mcf2graph ver 4.2 2017.6";
+message " This is mcf2graph ver 4.2 2017.7";
%-------------------------------------------------------------------------------------------------
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;
-picture atom_font[],str_font[],mol_stru[],save_pict;
-pen save_pen;
+ tbl_atom_mi[],tbl_char_wd[],tbl_char_ht[];
+string tbl_atom_str[],strD[],var[],tag[],mp_log_name,aux_delimiter,atomfont,
+ save_atomfont,save_defaultfont;
+picture mol_stru[];
path arrow_path,arrow_head;
%-------------------------------------------------------------------------------------------------
char_num:=str_cnt:=proc_end:=0;
sw_numberA:=sw_numberB:=sw_mol_frame:=sw_auxout:=sw_solid:=sw_expand:=sw_font_frame:=sw_clip:=0;
-sw_atom_frame:=sw_report:=sw_MOLout:=sw_subst_off:=sw_bond_single:=sw_auxfix:=0;
+sw_atom_frame:=sw_report:=sw_MOLout:=sw_subst_off:=sw_bond_single:=sw_auxfix:=sw_arrow:=0;
numberA_start:=numberB_start:=1; numberA_end:=numberB_end:=4095; aux_max:=max_inf_num:=20;
aux_delimiter:=";"; var1:="jobname"; tag1:="F"; var2:="char_num"; tag2:="C";
for i=3 upto aux_max: var[i]:=tag[i]:=""; endfor
@@ -51,14 +51,17 @@ for i=3 upto aux_max: var[i]:=tag[i]:=""; endfor
if (known green)and(known ahlength):
f_MP:=1;
color color_list[];
+ atomfont:=defaultfont:="";
mp_log_name:=jobname&"-info.aux";
- if ahlength=1: proc_end:=1; fi % first molecular only
- if ahlength=2: sw_report:=1; def shipit = enddef; fi % report on
- if ahlength=3: sw_label:=1; sw_arrow:=1; fi % use metapost label
- if ahangle=0: def shipit = enddef; % No image file
- elseif ahangle=1: outputformat:="png"; hppp:=vppp:=0.1; % PNG format
- elseif ahangle=2: outputformat:="svg"; % SVG format
- elseif ahangle=3: sw_MOLout:=1; def shipit = enddef; % MDL Molefile on
+ if ahlength=1: proc_end:=1; % first molecular only
+ elseif ahlength=2: sw_report:=1; def shipit = enddef; % report on
+ elseif ahlength=3: sw_arrow:=1; defaultfont:="uhvr8r"; % use mp label
+ elseif ahlength=5: sw_arrow:=1; defaultfont:=atomfont:="uhvr8r"; % use mp atom,label
+ fi
+ if ahangle=0: def shipit = enddef; % No image file
+ elseif ahangle=1: outputformat:="png"; hppp:=vppp:=0.1; % PNG format
+ elseif ahangle=2: outputformat:="svg"; % SVG format
+ elseif ahangle=3: sw_MOLout:=1; def shipit = enddef; % MDL Molefile on
fi
outputtemplate:="%j-%3c."&outputformat;
def beginchar(expr a,b,c,d)= beginfig(a) w:=b*pt; h:=c*pt; enddef;
@@ -66,8 +69,8 @@ if (known green)and(known ahlength):
def printf expr s= write s to mp_log_name enddef;
def # = enddef;
def Cp(expr s) = if known s: if s<>0: withcolor color_list[s] fi fi enddef;
- if unknown sw_label: sw_label:=0; fi
- if unknown sw_arrow: sw_arrow:=0; fi
+ if atomfont="": atomfont:="draw"; fi % default atom font
+ if defaultfont="": defaultfont:="draw"; fi % default label font
else: f_MP:=0;
string defaultfont;
dotlabeldiam:=3bp;
@@ -75,9 +78,11 @@ else: f_MP:=0;
def color = transform enddef;
def printf expr s= message s enddef;
%-----------------------------------------------------------------------
- sw_label:=sw_arrow:=0;
+ sw_arrow:=0;
dotlabeldiam:=3bp;
%-----------------------------------------------------------------------
+ atomfont:="draw";
+ defaultfont:="draw";
mode_setup;
fi
clearit;
@@ -95,16 +100,17 @@ offset_atom:=0.8pt; offset_wedge:=0.4pt; thickness_font_frame:=0
max_bond_length:=10mm; bond_len:=8mm;
font_wd:=30mm; font_ht:=20mm;
%==================================================================================================
-defaultfont:="uhvr8r"; % Helvetica
+%%%%defaultfont:="uhvr8r"; % Helvetica
%%%%defaultfont:="ucrr8r"; % Courier
%%%%defaultfont:="ucrb8r"; % Courier bold
%%%%defaultfont:="utmr8r"; % Times
ahangle:=45;
ahlength:=4bp;
defaultsize:=8bp;
-ext_defaultline:=0.5bp;
-ext_defaultscale:=defaultscale:=1;
+atomfontsize:=8bp;
+defaultscale:=1;
labeloffset:=3bp;
+ext_defaultline:=0.5bp;
%==================================================================================================
sub_emb_start:=500; % 500 => 2499 for embedded sub structure (max 2000)
sub_usr_start:=2500; % 2500 => 2999 for user sub structure (max 500)
@@ -120,12 +126,13 @@ 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=
sw_report,sw_numberA,sw_numberB,sw_mol_frame,sw_auxout,sw_solid,sw_expand,sw_MOLout,
- sw_atom_frame,sw_font_frame,sw_subst_off,sw_bond_single,sw_clip,sw_label,sw_arrow,
+ sw_atom_frame,sw_font_frame,sw_subst_off,sw_bond_single,sw_clip,sw_arrow,
margin_left_right,margin_top_bottom,ratio_atom_bond,ratio_thickness_bond,ratio_char_bond,
ratio_chain_ring,ratio_bondgap_bond,ratio_zebra_black,ratio_zebragap_bond,
ratio_wedge_bond,ratio_atomgap_atom,ratio_bond_width,font_wd,font_ht,labeloffset,
bond_len,offset_atom,offset_wedge,max_bond_length,offset_zebra_gap,offset_bond_gap,
- thickness_font_frame,offset_thickness,numberA_start,numberA_end,numberB_start,numberB_end
+ thickness_font_frame,offset_thickness,numberA_start,numberA_end,numberB_start,numberB_end,
+ atomfontsize,defaultsize,defaultscale,labeloffset
enddef;
%--------------------------------------------------------------------------------------------------
vardef pic_c(expr i,s)= substring(i,i+1) of s enddef;
@@ -139,6 +146,8 @@ def restore_par(text t)= nA:=0;
def beginfont(text s)=
char_num:=char_num+1;
store_par(parameter_list);
+ save_atomfont:=atomfont;
+ save_defaultfont:=defaultfont;
begingroup
save cntA,cntB,cntM,minX,minY,f_beginchar,numS,sftX,sftY,f_ext,
posBs,posBe,posA,posM,lineB,sB,eB,angB,angA,lenB,ang_br,info,pT;
@@ -174,7 +183,7 @@ def endfont=
pT:=(margin_left_right,margin_top_bottom);
draw_frame(pT,nA,nB,thickness_font_frame); fi
if sw_font_frame=4: draw_corner(w,h,thickness_font_frame); fi
- if (sw_auxout=1)or(sw_report=1)or(sw_MOLout=1): proc_calc_out; fi
+ if ((sw_auxout=1)or(sw_report=1)or(sw_MOLout=1))and(f_MP=1): proc_calc_out; fi
for i=1 upto cntM:
addto currentpicture also mol_stru[i] shifted posM[0][i]; mol_stru[i]:=nullpicture;
endfor
@@ -183,6 +192,8 @@ def endfont=
clearit;
endgroup;
restore_par(parameter_list);
+ atomfont:=save_atomfont;
+ defaultfont:=save_defaultfont;
if proc_end=1: scantokens("bye"); fi
enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
@@ -269,18 +280,11 @@ 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(_mk_bond,72-((c-9) MUL 1.5)) PA(_mk_bond,72+(c-9)) PA(_mk_bond,72+(c-9))
- elseif b==6::
- 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))
- elseif b==7::
- 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))
- elseif b==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))
+ if b==5:: 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(_mk_bond,60-(c-8)) for i==1 upto 3:: PA(_mk_bond,60+((c-8) DIV 2)) endfor
+ elseif b==7:: PA(_mk_bond,360 DIV 7-(c-8))
+ for i==1 upto 4:: PA(_mk_bond,360 DIV 7+((c-8) DIV 2.5)) endfor
+ elseif b==8:: PA(_mk_bond,45-(c-8)) for i==1 upto 5:: PA(_mk_bond,45+((c-8) DIV 3)) endfor
fi
PA(_pop,0) if a>=1:: PA(_cyc_eB,0) else:: PA(_cyc_eB,list) fi
enddef;
@@ -313,13 +317,10 @@ 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)
+ 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 e:: PA(_set_clr,1) PX(t)(xpart(e),ypart(e)) PA(_set_clr,0)
@@ -333,11 +334,9 @@ def ext_setup=
dotlabeldiam:=3bp;
labeloffset:=3bp;
em=defaultscale*defaultsize;
- currentscale:=defaultscale:=ext_defaultscale;
- if sw_label=0:
+ if (defaultfont="draw")or(f_MP=0):
def label = label_emu enddef;
def dotlabel = dotlabel_emu enddef;
- ext_use_font(defaultscale*defaultsize)(0.12defaultscale*defaultsize);
fi
if sw_arrow=0:
def drawarrow = drawarrow_emu enddef;
@@ -347,7 +346,7 @@ enddef;
%--------------------------------------------------------------------------------------------------
def EXT(text s)=
begingroup
- save w,h,wd,ht,n,p,am,em,aw,currentscale;
+ save w,h,wd,ht,n,p,am,em,aw;
pair p[];
ext_setup;
w:=font_wd;
@@ -364,7 +363,7 @@ enddef;
%--------------------------------------------------------------------------------------------------
def ext(text s)=
begingroup
- save wd,ht,n,l,p,am,em,aw,A,B,Bs,Be,currentscale;
+ save wd,ht,n,l,p,am,em,aw,A,B,Bs,Be;
numeric A[]bra,B[]ang;
pair p[],A[],B[],Bs[],Be[];
ext_setup;
@@ -385,31 +384,19 @@ def ext(text s)=
endgroup;
enddef;
%==================================================================================================
-def ext_use_font(expr WD)(expr PEN)=
- save_pict:=currentpicture; clearit;
- save_pen:=currentpen;
- for i=1 upto 128: f_char[i]:=1; endfor
- proc_char_setup(str_font)(WD)(PEN);
- currentpicture:=save_pict;
- currentpen:=save_pen;
-enddef;
-%--------------------------------------------------------------------------------------------------
def ext_puts(expr PA)(expr STR)=
begingroup
- save cp;
+ save cp,sA;
pair cp;
+ string sA;
cp:=PA;
- nB:=0;
- %----------------------------------------------------------------------------------
+ %------------------------------------------------------------------------------------------------
for i=0 upto length(STR)-1:
- nA:=ASCII(pic_c(i,STR));
- if nA=ASCII("_"): if nB=0: nB:=-.5; else: nB:=0; fi
- elseif nA=ASCII("^"): if nB=0: nB:= .5; else: nB:=0; fi
- else:
- addto currentpicture also str_font[nA]
- shifted (cp+(0,defaultscale*defaultsize*(nB-tbl_char_dp[nA])));
- cp:=cp+(defaultscale*defaultsize*tbl_char_wd[nA],0);
- fi
+ sA:=pic_c(i,STR);
+ nA:=ASCII(sA);
+ nB:=defaultscale*defaultsize;
+ draw_char(sA,cp,nB,0.35*ratio_char_bond*bp,0);
+ cp:=cp+(nB*tbl_char_wd[nA],0);
endfor
endgroup;
enddef;
@@ -418,10 +405,6 @@ vardef label_emu@#(expr STR,POS) = %% modified 'thelabel@#(expr s,z)' of plain.m
save oft,fx,fy,wds;
pair oft,oft.lft,oft.rt,oft.top,oft.bot,oft.ulft,oft.llft,oft.urt,oft.lrt;
wds:=0;
- if currentscale<>defaultscale:
- ext_use_font(defaultscale*defaultsize)(0.12defaultscale*defaultsize);
- currentscale:=defaultscale;
- fi
for i=0 upto length(STR)-1:
wds:=wds+defaultscale*defaultsize*tbl_char_wd[ASCII(pic_c(i,STR))];
endfor
@@ -533,7 +516,6 @@ def MCd(expr RW,RH)(expr FW,FH)(text TX)=
if bond_len>max_bond_length:
bond_len:=max_bond_length; proc_size_setup; proc_skeleton; proc_scaling; fi
fi
- proc_char_setup(atom_font)(atom_wd)(bond_pen_wd*ratio_char_bond);
%-----------------------------------------------------------------------------------------------
for i=1 upto cntB: if lineB[i]<si_ : draw_bond(i,sB[i],eB[i],angB[i],lineB[i]); fi endfor
for i=1 upto cntB: if lineB[i]>=si_: draw_bond(i,sB[i],eB[i],angB[i],lineB[i]); fi endfor
@@ -558,10 +540,10 @@ def MCd(expr RW,RH)(expr FW,FH)(text TX)=
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)=
@@ -799,15 +781,16 @@ enddef;
def draw_atom(expr NUM,POS,ANG,STR,WD)=
begingroup
save pA,pT,dx;
+ string sB;
pair pA,pT;
%----------------------------------------------------------------------------------------------
if ((ANG mod 360)<=90+1)or((ANG mod 360)>=270-1): dx:=1; else: dx:=-1; fi
pT:=POS-(0.5atom_wd*dx*WD,0.5atom_wd);
nE:=nC:=0;
for i=0 upto length(STR)-1:
- nB:=ASCII(pic_c(i,STR));
- if dx<0: if nB=par_s:k:=i+1; nC:=1; forever:exitif pic_c(i+(incr nC),STR)="}";endfor fi
- if nC>0: nB:=ASCII(pic_c(k+(decr nC),STR)); fi
+ sB:=pic_c(i,STR); nB:=ASCII(sB);
+ if dx<0: if nB=par_s: k:=i+1; nC:=1; forever: exitif pic_c(i+(incr nC),STR)="}";endfor fi
+ if nC>0: sB:=pic_c(k+(decr nC),STR); nB:=ASCII(sB); fi
fi
if nB=score_u: if nE=0: nE:=-.5; else: nE:=0; fi;
elseif nB=hat: if nE=0: nE:= .5; else: nE:=0; fi;
@@ -816,9 +799,14 @@ def draw_atom(expr NUM,POS,ANG,STR,WD)=
pA:=pT+(0.5*((dx-1)*nA),nE*atom_wd);
if sw_atom_frame=1: draw_frame(pA,nA,atom_wd,0.1pt); fi
if (sw_numberA>=1)or(sw_numberB>=1):
- erase fill unitsquare xscaled nA yscaled atom_wd shifted pA wpcs 0.01pt; fi
- addto currentpicture also atom_font[nB]
- shifted (pA-(0,atom_wd*tbl_char_dp[nB])) Cp(colorA[NUM]);
+ erase fill unitsquare xscaled nA yscaled atom_wd shifted pA wpcs 0.01pt;
+ fi
+ if (atomfont<>"draw")and(f_MP=1):
+ addto currentpicture also char(nB) infont atomfont
+ scaled (atom_wd/atomfontsize) shifted pA Cp(colorA[NUM]);
+ else:
+ draw_char(sB,pA,atom_wd,bond_pen_wd*ratio_char_bond,NUM);
+ fi
pT:=pT+(nA*dx,0);
fi
endfor
@@ -915,13 +903,8 @@ def ring expr n= <((-180 DIV n)-90),(_chg_len,0),
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));
-!:=!1:='((_mk_bond,_arg_ang));
-for i=2 upto 20:
- ![i]:='(|:,(_get_len,0),! for j==2 upto i::,! endfor,:|);
-endfor
-!!:='(!,(_mb,db));
-!!!:='(!,(_mb,tm));
-!0:='(<180,180);
+!:=!1:='((_mk_bond,_arg_ang)); !!:='(!,(_mb,db)); !!!:='(!,(_mb,tm)); !0:='(<180,180);
+for i=2 upto 20: ![i]:='(|:,(_get_len,0),! for j==2 upto i::,! endfor,:|); endfor
Me:='(); Et:=!; Pr:=!2; Bu:=!3;
for i=4,5,6: for j=2 upto i-2: ?[i][j]:='((_fuse,i),(j,0)); endfor endfor
for i=5,6,7,8: for j=11 upto 15: ?[i][j]:='((_fuse,i),(j,0)); endfor endfor
@@ -962,135 +945,134 @@ def expand_set=
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;
enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-def char_size_set(expr a)(expr b)(expr c)(expr s)=
+def char_size_set(expr a)(expr b)(expr s)=
for j=0 upto length(s)-1: nA:=ASCII(pic_c(j,s));
- tbl_char_wd[nA]:=a; tbl_char_ht[nA]:=b; tbl_char_dp[nA]:=c;
+ tbl_char_wd[nA]:=a; tbl_char_ht[nA]:=b;
endfor
enddef;
%---------------------------------------------------------------
-char_size_set( 1)( 1)( 0)("CGHMNOQ");
-char_size_set(.9)( 1)( 0)("ABDEFIJKLPRSTUVWXYZ-+/><m");
-char_size_set(.7)( 1)( 0)(" ()0123456789nhj=*bdtf");
-char_size_set(.5)( 1)( 0)("il");
-char_size_set(.7)( 1)(.24)("pqg");
-char_size_set(.7)(.8)( 0)("acekosuvxzwry");
-char_size_set(.4)( 1)( 0)(".,:;'`");
-char_size_set( 0)( 0)( 0)("^_");
+char_size_set( 1)( 1)("CGHMNOQ");
+char_size_set(.9)( 1)("ABDEFIJKLPRSTUVWXYZ-+/><m");
+char_size_set(.7)( 1)(" ()[]0123456789nhj=_bdtfgpq");
+char_size_set(.7)(.7)("*");
+char_size_set(.5)( 1)("il");
+char_size_set(.7)(.8)("acekosuvxzwry");
+char_size_set(.4)( 1)(".,:;'`");
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-def proc_char_setup(suffix FONT)(expr SIZE)(expr PEN_WD)=
-begingroup
-save Z,aW,aH,fW,hW,hW,hH,fP,hP,vL,hL,PO,POh,sH,FD;
-pair Z[];
-%---------------------------------------------------------------
-def FD(expr c)(text s)=
- if f_char[ASCII(c)]=1:
- fP:=PEN_WD;
- hP:=0.5PEN_WD;
- aW:=SIZE*tbl_char_wd[ASCII(c)]*(1-ratio_atomgap_atom*2);
- aH:=SIZE*tbl_char_ht[ASCII(c)]*(1-ratio_atomgap_atom*2);
- fW:=aW-hP; hW:=.5aW; fH:=aH-hP; hH:=.5aH;
- Z01:=( 0,hP); Z02:=(hP, 0); Z03:=(hP,hP); Z04:=(aW,hP); Z05:=(fW, 0); Z08:=( 0,hH);
- Z09:=(hP,hH); Z10:=(fW,hH); Z12:=( 0,fH); Z13:=(hP,fH); Z14:=(hW,fH); Z16:=(aW,fH);
- Z18:=(hP,aH); Z19:=(hW,hP); Z20:=(hW,hH); Z06:=(hW,aH); Z07:=(hW, 0); Z11:=(hW,aW);
- Z15:=(fW,aH); Z17:=(aW,hH);
- pickup pencircle scaled fP;
- s;
- FONT[ASCII(c)]:=
- currentpicture shifted (ratio_atomgap_atom*atom_wd,ratio_atomgap_atom*atom_wd);
- clearit;
- fi
-enddef;
-%-----------------------------------------------------------------------------------------
-def vL= withpen penrazor scaled fP enddef;
-def hL= withpen penrazor rotated 90 scaled fP enddef;
-def PO=
- Z10..(.8aW,fH)..tension 1.5..(.2aW,fH)..Z09..(.2aW,hP)..tension 1.5..(.8aW,hP)..cycle enddef;
-def POh= (hP,.25aH)..Z19..(fW,.25aH)..Z20..cycle enddef;
-def sH expr n= shifted (0,n) enddef;
-def SP(expr m,n)expr p=subpath(m*length(p),n*length(p)) of p enddef;
-%==================================================================================================
-FD(" ")();
-FD(".")(drawdot Z19 wpcs fP);
-FD(",")(drawdot Z19 wpcs fP; draw (hW+.5fP,hP)..(hW+.3fP,-fP)..(hW-.5fP,hP-2fP));
-FD("'")(drawdot Z14 wpcs fP; draw (hW+.5fP,fH)..(hW+.3fP,fH-fP)..(hW-.5fP,fH-2fP));
-FD("`")(drawdot (hW,fH-2fP) wpcs fP;draw (hW-.5fP,fH-2fP)..(hW-.3fP,fH-fP)..(hW+.5fP,fH));
-FD(":")(drawdot (hW,.2aH) wpcs fP; drawdot (hW,.8aH) wpcs fP);
-FD(";")(drawdot (hW,.2aH) wpcs fP; drawdot (hW,.8aH) wpcs fP;draw (hW+hP,.2aH)..(hW-hP,.2aH-2fP));
-FD("(")(draw Z19...Z09...Z14);
-FD(")")(draw Z19...Z10...Z14);
-FD(">")(cutdraw Z01--Z17--Z12);
-FD("<")(cutdraw Z16--Z08--Z04);
-FD("0")(draw Z09...Z14...Z10...Z19...cycle);
-FD("1")(draw Z07--Z06--(hW-hP,fH)--(hW-hP,aH-2.5hP) vL);
-FD("2")(cutdraw SP(0,.71)(hP,1.3hP)--(fW,.55aH)..Z14..(hP,.5aH)..(hW,.27aH); draw Z04--Z01 hL);
-FD("3")(cutdraw SP(0,.77)POh; cutdraw SP(.23,.95)POh sH .5aH-hP; draw (.3aW,hH)--Z20 hL);
-FD("4")(draw (0,.3aH)--(aW,.3aH) hL; draw (.7aW,0)--(.7aW,aH)--(1.2hP,.3aH+hP) vL);
-FD("5")(draw Z12--Z16 hL; draw Z13--(hP,.49aH) vL;
- cutdraw (.5hP,.15aH)..(.65aW,1.3hP)..(fW,.3aH)..(hW,.6aH)..(.6hP,.53aH));
-FD("6")(draw Z19..(fW,.5fW)..(hW,fW)..(hP,.5fW)..cycle; cutdraw (hP,.4aH)--Z06);
-FD("7")(draw (0,.fH)--Z16 hL; draw (aW-1.2hP,aH-fP)--(.4aW,0) vL scaled 1.2);
-FD("8")(draw POh; draw (hP,.75aH)...Z14...(fW,.75aH)...Z20...cycle;);
-FD("9")(draw (Z19..(fW,.5fW)..(hW,fW)..(hP,.5fW)..cycle) sH .32aH; cutdraw (fW,.6aH)--Z07);
-FD("A")(draw Z02--Z06--Z05 vL scaled 1.14; draw .33[Z02,Z06]--.33[Z05,Z06]);
-FD("B")(draw Z13--Z14{right}..(.9fH,.75aH)..{left}(.5aW,hH)--Z09--(.5aW,hH){right}..
- (.9fH,.25aH)..{left}Z19--Z03; draw Z02--Z18 vL);
-FD("C")(cutdraw SP(.05,.95)PO);
-FD("D")(draw Z13--Z14..Z10..Z19--Z03; draw Z02--Z18 vL);
-FD("E")(draw Z04--Z01 hL;draw Z12--Z16 hL;draw Z08--Z17 hL;draw Z02--Z18 vL);
-FD("F")(draw Z12--Z16 hL; draw (0,.45aH)--(fW,.45aH) hL; draw Z02--Z13 vL);
-FD("G")(cutdraw SP(.06,.97)PO; draw bot Z20-- bot Z17 hL);
-FD("H")(draw Z02--Z18 vL; draw Z09--Z10; draw Z05--Z15 vL);
-FD("I")(draw Z19--Z14 vL; draw (hW-fP,hP)--(hW+fP,hP) hL; draw (hW-fP,fH)--(hW+fP,fH) hL);
-FD("J")(cutdraw Z09..(hP,.4aH){down}..{right}Z19{right}..{up}(fW,.4aH)..Z15);
-FD("K")(cutdraw Z02--Z18; cutdraw .5[.45[Z02,Z18],Z16]--Z05; cutdraw .45[Z02,Z18]--Z16);
-FD("L")(draw Z04--Z01 hL; draw Z02--Z18 vL);
-FD("M")(draw Z02--Z18 vL; draw Z18--Z19--Z15 vL scaled 1.14; draw Z15--Z05 vL);
-FD("N")(draw Z02--Z18 vL; draw Z05--Z15 vL;draw (1.4hP,aH)--(aW-1.4hP,0) vL scaled 1.4);
-FD("O")(draw PO);
-FD("P")(draw Z02--Z18 vL; draw Z13--(.3aW,fH){right}..(fW,.7aH)..{left}(.3aW,.44aH)..(hP,.44aH))
-FD("Q")(draw PO; draw (.6aW,.4aH)--Z05);
-FD("R")(draw Z02--Z18 vL; draw Z13--(.3aW,fH){right}..(fW,.7aH)..{left}(.3aW,.44aH)..(hP,.44aH);
- cutdraw Z05{up}..{left}(hW,.44aH));
-FD("S")(cutdraw SP(.05,.45)PO; cutdraw SP(.55,.95)PO; draw (fW,.3aH){up}..{up}(hP,.7aH));
-FD("T")(draw Z12--Z16 hL;draw .5[Z12,Z16]--Z07 vL);
-FD("U")(cutdraw Z18..Z09{down}..{right}Z19{right}..{up}Z10..Z15);
-FD("V")(draw Z18--Z07--Z15 vL scaled 1.2);
-FD("W")(draw Z18--(.25aW,0)--Z06--(.75aW,0)--Z15 vL scaled 1.08);
-FD("X")(draw Z18..Z05 vL scaled 1.4; draw Z02..Z15 vL scaled 1.4);
-FD("Y")(draw Z18--Z20--Z15 vL scaled 1.2; draw Z20--Z07 vL);
-FD("Z")(draw Z12--Z16 hL;draw (1.4hP,fP)--(aW-1.4hP,aH-fP) vL scaled 1.4;draw Z01--Z04 hL);
-FD("-")(draw Z09--Z10 hL);
-FD("=")(draw (hP,.3aH)--(fW,.3aH) hL;draw (hP,.6aH)--(fW,.6aH) hL);
-FD("/")(draw (fW,fH)..Z01);
-FD("+")(draw Z19--Z14 vL; draw Z09--Z10 hL);
-FD("a")(draw Z19..Z10..Z14..Z09..cycle; draw Z05--Z15 vL);
-FD("b")(draw Z19..Z10..Z11..Z09..cycle; draw Z02--(hP,1.2aH) vL);
-FD("c")(cutdraw SP(.06,.94)Z10..Z14..Z09..Z19..cycle);
-FD("d")(draw Z19..Z10..Z11..Z09..cycle; draw Z05--(fW,1.2aH) vL);
-FD("e")(cutdraw SP(0,.92)Z10..Z14..Z09..Z19..cycle; draw Z10--Z09);
-FD("f")(cutdraw (.5aW,0)--(.5aW,.75aH){up}..(.75aW,fH)..{down}(fW,.8aH); draw Z08--Z17 hL);
-FD("g")(draw (Z19..Z10..Z11..Z09..cycle) sH .3aH; cutdraw Z15--(fW,hP)..(hW,0)..(.1aW,fP));
-FD("h")(draw Z02..(hP,.3aH){up}..(hW,.7fH)..{down}(fW,.3aH)..Z05; draw (hP,.3aH)--Z18 vL);
-FD("i")(draw Z07--(hW,.63aH) vL; draw Z14 wpcs 1.4fP);
-FD("j")(draw Z19--(hW,.63aH) vL; draw Z19..(.25aW,-hP)..Z01; draw Z14 wpcs 1.4fP);
-FD("k")(draw Z02--Z18 vL; cutdraw .5[.45[Z02,Z18],Z16]--Z05; cutdraw .45[Z02,Z18]--Z16);
-FD("l")(draw Z07--Z06 vL; draw Z14--Z13 hL; draw Z19--(fW,hP) hL);
-FD("m")(cutdraw Z02..(hP,.3aH){up}..(.28aW,.7fH)..{down}(hW,.3aH)..Z07;
- cutdraw (hW,.3aH){up}..(.7aW,.7aH-hP)..{down}(fW,.3aH)..Z05; draw (hP,.3aH)--(hP,.7aH) vL);
-FD("n")(cutdraw Z02..(hP,.3aH){up}..(hW,.7fH)..{down}(fW,.3aH)..Z05; draw (hP,.3aH)--(hP,.7aH) vL);
-FD("o")(draw Z19..Z10..Z14..Z09..cycle);
-FD("p")(draw (Z19..Z10..Z11..Z09..cycle) sH .3aH; draw (hP,0)--Z18 vL);
-FD("q")(draw (Z19..Z10..Z11..Z09..cycle) sH .3aH; draw (fW,0)--Z15 vL);
-FD("r")(cutdraw (SP(.35,.72)Z19..Z10..Z14..Z09..cycle) sH -fP; draw Z02--Z18 vL);
-FD("s")(cutdraw SP(.05,.45)PO; cutdraw SP(.55,.95)PO; draw (fW,.3aH){up}..{up}(hP,.7aH));
-FD("t")(draw Z07--Z06 vL; draw (0,.66aH)--(aW,.66aH) hL);
-FD("u")(cutdraw Z18..(hP,.55aH){down}..Z19..(fW,.55aH){up}..Z15; draw Z15--Z05 vL);
-FD("v")(draw Z18--Z07--Z15 vL);
-FD("w")(draw Z18--(.25aW,0)--Z06--(.75aW,0)--Z15 vL);
-FD("x")(draw Z18--Z05 vL scaled 1.4; draw Z15--Z02 vL scaled 1.4);
-FD("y")(draw Z18--Z20 vL scaled 1.4; draw Z15--Z02 vL scaled 1.4);
-FD("z")(draw Z12--Z16 hL;draw (1.4hP,fP)--(aW-1.4hP,aH-fP) vL scaled 1.4; draw Z01--Z04 hL);
-endgroup
+def draw_char(expr c,POS,WD,PEN,NUM)=
+save Z,aW,aH,fW,fH,hW,hW,hH,fP,hP,pathO,pathOh,ef,pos,ppcs,sbp,dw,dwh,dwv,cdw;
+path pathO,pathOh;
+pair Z[],pos;
+%-------------------------------------------------------------------------------------------------
+let ef=elseif;
+def ppcs expr n= pickup pencircle scaled n enddef;
+def sbp(expr m,n)expr p=subpath(m*length(p),n*length(p)) of p enddef;
+def dw expr p = draw (p) shifted pos Cp(colorA[NUM]) enddef;
+def dwv expr p = draw (p) withpen penrazor scaled fP shifted pos Cp(colorA[NUM]) enddef;
+def dwvs (expr n)expr p=
+ draw (p) withpen penrazor scaled fP scaled n shifted pos Cp(colorA[NUM]) enddef;
+def dwh expr p=draw (p) withpen penrazor rotated 90 scaled fP shifted pos Cp(colorA[NUM]) enddef;
+def cdw expr p=cutdraw (p) shifted pos Cp(colorA[NUM]) enddef;
+%-------------------------------------------------------------------------------------------------
+fP:=PEN; hP:=0.5fP;
+aW:=WD*tbl_char_wd[ASCII(c)]*(1-2ratio_atomgap_atom);
+aH:=WD*tbl_char_ht[ASCII(c)]*(1-2ratio_atomgap_atom);
+pos:=POS+(WD*ratio_atomgap_atom,WD*ratio_atomgap_atom);
+fW:=aW-hP; hW:=.5aW; fH:=aH-hP; hH:=.5aH;
+Z01:=( 0,hP); Z02:=(hP, 0); Z03:=(hP,hP); Z04:=(aW,hP); Z05:=(fW, 0); Z06:=(hW,aH); Z07:=(hW, 0);
+Z08:=( 0,hH); Z09:=(hP,hH); Z10:=(fW,hH); Z11:=(hW,aW); Z12:=( 0,fH); Z13:=(hP,fH); Z14:=(hW,fH);
+Z15:=(fW,aH); Z16:=(aW,fH); Z17:=(aW,hH); Z18:=(hP,aH); Z19:=(hW,hP); Z20:=(hW,hH); Z21:=(fW,hP);
+pathO:=Z10..(.8aW,fH)..tension 1.5..(.2aW,fH)..Z09..(.2aW,hP)..tension 1.5..(.8aW,hP)..cycle;
+pathOh:=(hP,.25aH)..Z19..(fW,.25aH)..Z20..cycle;
+%-------------------------------------------------------------------------------------------------
+ppcs fP;
+if c="A": dwvs(1.14) Z02--Z06--Z05; dw .33[Z02,Z06]--.33[Z05,Z06];
+ef c="B": dw Z13--Z14{right}..(.9fH,.75aH)..{left}Z20--Z09--Z20{right}..(.9fH,.25aH)..
+ {left}Z19--Z03; dwv Z02--Z18;
+ef c="C": cdw sbp(.05,.95)pathO;
+ef c="D": dw Z13--Z14..Z10..Z19--Z03; dwv Z02--Z18;
+ef c="E": pickup pensquare scaled fP; dw Z21--Z03--Z13--(fW,fH); dw Z09--Z10;
+ef c="F": dwh Z12--Z16; dwh (0,.45aH)--(fW,.45aH); dw Z02--Z13;
+ef c="G": cdw sbp(.06,.97)pathO; dwh bot Z20-- bot Z17;
+ef c="H": dwv Z02--Z18; dw Z09--Z10; dwv Z05--Z15;
+ef c="I": dwv Z19--Z14; dwh (hW-fP,hP)--(hW+fP,hP); dwh (hW-fP,fH)--(hW+fP,fH);
+ef c="J": cdw Z09..(hP,.4aH){down}..{right}Z19{right}..{up}(fW,.4aH)..Z15;
+ef c="K": cdw Z02--Z18; cdw .5[.45[Z02,Z18],Z16]--Z05; cdw .45[Z02,Z18]--Z16;
+ef c="L": dwh Z04--Z01; dwv Z02--Z18;
+ef c="M": dwv Z02--Z18; dwvs(1.14) Z18--Z19--Z15; dwv Z15--Z05;
+ef c="N": dwv Z02--Z18; dwv Z05--Z15; dwvs(1.4) (1.4hP,aH)--(aW-1.4hP,0);
+ef c="O": dw pathO;
+ef c="P": dwv Z02--Z18; dw Z13--(.3aW,fH){right}..(fW,.7aH)..{left}(.3aW,.44aH)..(hP,.44aH);
+ef c="Q": dw pathO; dw (.6aW,.4aH)--Z05;
+ef c="R": dwv Z02--Z18; dw Z13--(.3aW,fH){right}..(fW,.7aH)..{left}(.3aW,.44aH)..(hP,.44aH);
+ cdw Z05{up}..{left}(hW,.44aH);
+ef c="S": cdw sbp(.05,.45)pathO; cdw sbp(.55,.95)pathO; dw (fW,.3aH){up}..{up}(hP,.7aH);
+ef c="T": dwh Z12--Z16; dwv .5[Z12,Z16]--Z07;
+ef c="U": cdw Z18..Z09{down}..{right}Z19{right}..{up}Z10..Z15;
+ef c="V": dwvs(1.2) Z18--Z07--Z15;
+ef c="W": dwvs(1.08) Z18--(.25aW,0)--Z06--(.75aW,0)--Z15;
+ef c="X": dwvs(1.4) Z18..Z05; dwvs(1.4) Z02..Z15;
+ef c="Y": dwvs(1.2) Z18--Z20--Z15; dwv Z20--Z07;
+ef c="Z": dwh Z12--Z16; dwvs(1.4) (1.4hP,fP)--(aW-1.4hP,aH-fP); dwh Z01--Z04;
+ef c="a": dw Z19..Z10..Z14..Z09..cycle; dwv Z05--Z15;
+ef c="b": dw Z19..Z10..Z11..Z09..cycle; dwv Z02--(hP,1.2aH)
+ef c="c": cdw sbp(.06,.94)Z10..Z14..Z09..Z19..cycle;
+ef c="d": dw Z19..Z10..Z11..Z09..cycle; dwv Z05--(fW,1.2aH);
+ef c="e": cdw sbp(0,.92)Z10..Z14..Z09..Z19..cycle; dw Z10--Z09;
+ef c="f": cdw (hW,0)--(hW,.75aH){up}..(.75aW,fH)..{down}(fW,.8aH); dwh Z08--Z17;
+ef c="g": dw Z19..Z10..Z11..Z09..cycle; cdw (Z15--Z21..(hW,0)..(.1aW,fP)) shifted (0,-.3aH);
+ef c="h": dw Z02..(hP,.3aH){up}..(hW,.7fH)..{down}(fW,.3aH)..Z05; dwv (hP,.3aH)--Z18;
+ef c="i": dwv Z07--(hW,.63aH); ppcs 1.4fP; dw Z14;
+ef c="j": dwv Z19--(hW,.63aH); dw Z19..(.25aW,-hP)..Z01; ppcs 1.4fP; dw Z14;
+ef c="k": dwv Z02--Z18; cdw .5[.45[Z02,Z18],Z16]--Z05; cdw .45[Z02,Z18]--Z16;
+ef c="l": dwv Z07--Z06; dwh Z14--Z13; dwh Z19--Z21;
+ef c="m": cdw Z02..(hP,.3aH){up}..(.28aW,.7fH)..{down}(hW,.3aH)..Z07;
+ cdw (hW,.3aH){up}..(.7aW,.7aH-hP)..{down}(fW,.3aH)..Z05; dwv (hP,.3aH)--(hP,.7aH);
+ef c="n": cdw Z02..(hP,.3aH){up}..(hW,.7fH)..{down}(fW,.3aH)..Z05; dwv (hP,.3aH)--(hP,.7aH);
+ef c="o": dw Z19..Z10..Z14..Z09..cycle;
+ef c="p": dw Z19..Z10..Z11..Z09..cycle; dwv (hP,.7aH)--(hP,-.3aH);
+ef c="q": dw Z19..Z10..Z11..Z09..cycle; dwv (fW,.7aH)--(fW,-.3aH);
+ef c="r": cdw (sbp(.35,.72)Z19..Z10..Z14..Z09..cycle) shifted(0,-fP); dwv Z02--Z18;
+ef c="s": cdw sbp(.05,.45)pathO; cdw sbp(.55,.95)pathO; dw (fW,.3aH){up}..{up}(hP,.7aH);
+ef c="t": dwv Z07--Z06; dwh (0,.66aH)--(aW,.66aH);
+ef c="u": cdw Z18..(hP,.55aH){down}..Z19..(fW,.55aH){up}..Z15; dwv Z15--Z05;
+ef c="v": dwv Z18--Z07--Z15;
+ef c="w": dwv Z18--(.25aW,0)--Z06--(.75aW,0)--Z15;
+ef c="x": dwvs(1.4) Z18--Z05; dwvs(1.4) Z15--Z02;
+ef c="y": dwvs(1.4) (Z18--Z20) shifted (0,-.3aH); dwvs(1.4) (Z15--Z02) shifted (0,-.3aH);
+ef c="z": dwh Z12--Z16; dwvs(1.4) (1.4hP,fP)--(aW-1.4hP,aH-fP); dwh Z01--Z04;
+ef c="0": dw Z09...Z14...Z10...Z19...cycle;
+ef c="1": dwv Z07--Z06--(hW-hP,fH)--(hW-hP,aH-2.5hP);
+ef c="2": cdw sbp(0,.71)(hP,1.3hP)--(fW,.55aH)..Z14..(hP,.5aH)..(hW,.27aH); dwh Z04--Z01;
+ef c="3": cdw sbp(0,.77)pathOh; cdw sbp(.23,.95)pathOh shifted (0,.5aH-hP); dwh (.3aW,hH)--Z20;
+ef c="4": dwh (0,.3aH)--(aW,.3aH); dwv (.7aW,0)--(.7aW,aH)--(1.2hP,.3aH+hP);
+ef c="5": dwh Z12--Z16; dwv Z13--(hP,.49aH);
+ cdw (.5hP,.15aH)..(.65aW,1.3hP)..(fW,.3aH)..(hW,.6aH)..(.6hP,.53aH);
+ef c="6": dw Z19..(fW,.5fW)..(hW,fW)..(hP,.5fW)..cycle; cdw (hP,.4aH)--Z06;
+ef c="7": dwh (0,.fH)--Z16; dwvs(1.2) (aW-1.2hP,aH-fP)--(.4aW,0);
+ef c="8": dw pathOh; dw (hP,.75aH)...Z14...(fW,.75aH)...Z20...cycle;
+ef c="9": dw (Z19..(fW,.5fW)..(hW,fW)..(hP,.5fW)..cycle) shifted (0,.32aH); cdw (fW,.6aH)--Z07;
+ef c=" ":
+ef c=".": ppcs 1.4fP; dw Z19;
+ef c=",": dw (hW+.5fP,hP)..(hW+.3fP,-fP)..(hW-.5fP,hP-2fP); ppcs 1.4fP; dw Z19;
+ef c="'": dw (hW+.5fP,fH)..(hW+.3fP,fH-fP)..(hW-.5fP,fH-2fP); ppcs 1.4fP; dw Z14;
+ef c="`": dw (hW-.5fP,fH-2fP)..(hW-.3fP,fH-fP)..(hW+.5fP,fH); ppcs 1.4fP; dw (hW,fH-2fP);
+ef c=":": ppcs 1.4fP; dw (hW,.2aH); dw (hW,.8aH);
+ef c=";": dw (hW+hP,.2aH)..(hW-hP,.2aH-2fP); ppcs 1.4fP; dw (hW,.2aH); dw (hW,.8aH);
+ef c="(": dw Z19...Z09...Z14;
+ef c=")": dw Z19...Z10...Z14;
+ef c="[": dwv Z07--Z06; dwh Z14--(fW,fH); dwh Z19--Z21;
+ef c="]": dwv Z07--Z06; dwh Z14--Z13; dwh Z03--Z19;
+ef c="<": cdw Z01--Z17--Z12;
+ef c=">": cdw Z16--Z08--Z04;
+ef c="-": dwh Z09--Z10;
+ef c="_": dwh Z03--Z21;
+ef c="=": dwh (hP,.3aH)--(fW,.3aH); dwh (hP,.6aH)--(fW,.6aH);
+ef c="/": dw (fW,fH)..Z01;
+ef c="+": dwv Z19--Z14; dwh Z09--Z10;
+ef c="*": dw Z19--Z14; dw Z09--Z10; dw (fW,fH)--Z01; dw Z13--Z21;
+else:
+fi
enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
def blank_str:= " " enddef;
@@ -1270,27 +1252,18 @@ def proc_report_out=
endfor
message "------------------------------------------------------------------";
message "<atom>( atom wt )[ mi wt ] < cnt > < sum wt >[ sum mi wt ]";
- if MWp<=40:
- cal_MW_str:=cal_MW;
- cal_MI_str:=cal_MI;
- else:
- cal_MW_str:=fdr(10)(MWp)&" * 100";
- cal_MI_str:=fdr(10)(MIp)&" * 100";
+ if MWp<=40: cal_MW_str:=cal_MW; cal_MI_str:=cal_MI;
+ else: cal_MW_str:=fdr(10)(MWp)&" * 100"; cal_MI_str:=fdr(10)(MIp)&" * 100";
fi
for i=1 upto tbl_cnt:
if sumA[i]>=1:
- nA:=tbl_atom_wt[i]/100*sumA[i];
- nB:=tbl_atom_mi[i]/100*sumA[i];
+ nA:=tbl_atom_wt[i]/100*sumA[i]; nB:=tbl_atom_mi[i]/100*sumA[i];
message " "&
fixed_l(5)(stripP(tbl_atom_str[i]))&
- "("&fdr(9)(tbl_atom_wt[i])&")"&
- "["&fdr(9)(tbl_atom_mi[i])&"]"&
+ "("&fdr(9)(tbl_atom_wt[i])&")"&"["&fdr(9)(tbl_atom_mi[i])&"]"&
" * "&fdr(4)(sumA[i])&" = "
- if nA<40:
- &fdr(12)(tbl_atom_wt[i]*sumA[i])
- &"["&fdr(12)(tbl_atom_mi[i]*sumA[i])&"]";
- else:
- &fdr(12)(nA)&" * 100"&"["&fdr(12)(nA)&" * 100"&"]";
+ if nA<40: &fdr(12)(tbl_atom_wt[i]*sumA[i])&"["&fdr(12)(tbl_atom_mi[i]*sumA[i])&"]";
+ else: &fdr(12)(nA)&" * 100"&"["&fdr(12)(nA)&" * 100"&"]";
fi
fi
endfor
generated by cgit v1.2.3 (git 2.39.1) at 2024-12-26 14:54:21 +0000