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authorKarl Berry <karl@freefriends.org>2015-08-30 20:49:54 +0000
committerKarl Berry <karl@freefriends.org>2015-08-30 20:49:54 +0000
commit633ddebf6e38c4c7056d98b02896cf8693fabafe (patch)
tree60f3e97822530278b060370262fe2a493588ff45 /Master
parent0fbd23a11cda5bc0444a84d9da29aa004f08dc9f (diff)
mcf2graph (30aug15)
git-svn-id: svn://tug.org/texlive/trunk@38247 c570f23f-e606-0410-a88d-b1316a301751
Diffstat (limited to 'Master')
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/README3
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf4
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdfbin257821 -> 260066 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.mf165
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdfbin261290 -> 308530 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex322
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdfbin121154 -> 120942 bytes
-rw-r--r--Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf44
9 files changed, 394 insertions, 148 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README
index 9ef938a6e31..fde20ffe328 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 : 3.59 / 2015-08-23
+ version : 3.595 / 2015-08-30
E-mail : akira.yamaji5@gmail.com
Located at : http://mirror.ctan.org/pkg/graphics/mcf2graph
Home page : http://molecoding.cocolog-nifty.com/blog/
@@ -113,3 +113,4 @@
ver. 3.57 / 2015-08-14 improve AUX file format
ver. 3.58 / 2015-08-18 improve calculation of molecular formula and weight
ver. 3.59 / 2015-08-23 update MCF syntax manual
+ ver. 3.595 / 2015-08-30 update MCF syntax manual 2
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 8487a05ac79..b08865cd267 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2015.8.7
+% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2015.8.30
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
input mcf2graph.mf;
%-------------------------------------------------------------------------
@@ -18,7 +18,7 @@ sw_start_vector:=0;
%%%%sw_checklist:=1;
%%%%sw_MOLfile:=1;
%**********************************************************************
-beginfont("EN:Acetamiprid","FM:C5H9","MW:89")
+beginfont("EN:Acetamiprid")
MCf(^^30,
Ph,4\,!,NH,!,!~dr,N,!,CN
)
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
index 7e89736b122..97e771ce0ac 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 fc6d451f06d..718e9f64326 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 2015.8.14
+% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2015.8.28
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\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 2015.8.18} \vspace{5mm}\\
+{\footnotesize\bf by Akira Yamaji 2015.8.28} \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 a54ac1373d1..043880f96a4 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 2015.8.22
+% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2015.8.28
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
input mcf2graph.mf;
%-----------------------------------------------------------------------
@@ -286,72 +286,128 @@ endfont
%***********************************************************************
beginfont("EN:ratio_thickness_bond")
ratio_thickness_bond:=0.005;
- MCd(.6,.6)(0, .5)(^^30,Ph)
+ MCd(1,.6)(0, .5)(^^30,Ph)
ratio_thickness_bond:=0.015;
- MCd(.6,.6)(.5, .5)(^^30,Ph)
+ MCd(1,.6)(.5, .5)(^^30,Ph)
ratio_thickness_bond:=0.03;
- MCd(.6,.6)(1, .5)(^^30,Ph)
+ MCd(1,.6)(1, .5)(^^30,Ph)
endfont
%***********************************************************************
+beginfont("EN:offset_thickness")
+ offset_thickness#:=0.0pt#; MCd(1,.3)( 0,0.5)(^^30,Ph) endfont
+beginfont() offset_thickness#:=0.2pt#; MCd(1,.3)(.5,0.5)(^^30,Ph) endfont
+beginfont() offset_thickness#:=0.5pt#; MCd(1,.3)( 1,0.5)(^^30,Ph) endfont
+%***********************************************************************
beginfont("EN:ratio_char_bond")
ratio_char_bond:=1.0;
- MCd(.6,.6)(0, .5)(^^30,?6,5:O,2:NH)
+ MCd(1,.6)(0, .5)(^^30,?6,5:O,2:NH)
ratio_char_bond:=1.5;
- MCd(.6,.6)(.5, .5)(^^30,?6,5:O,2:NH)
+ MCd(1,.6)(.5, .5)(^^30,?6,5:O,2:NH)
ratio_char_bond:=2.0;
- MCd(.6,.6)(1, .5)(^^30,?6,5:O,2:NH)
+ MCd(1,.6)(1, .5)(^^30,?6,5:O,2:NH)
endfont
%***********************************************************************
beginfont("EN:ratio_bondgap_bond")
ratio_bondgap_bond:=0.10;
- MCd(.6,.6)(0, .5)(^^30,Ph)
+ MCd(1,.6)(0, .5)(^^30,Ph)
ratio_bondgap_bond:=0.15;
- MCd(.6,.6)(.5, .5)(^^30,Ph)
+ MCd(1,.6)(.5, .5)(^^30,Ph)
ratio_bondgap_bond:=0.20;
- MCd(.6,.6)(1, .5)(^^30,Ph)
+ MCd(1,.6)(1, .5)(^^30,Ph)
endfont
%***********************************************************************
+beginfont("EN:offset_bond_gap") offset_bond_gap#:=0.0pt#;
+MCd(1,.3)(0, .5)(^^30,Ph) endfont
+beginfont() offset_bond_gap#:=0.3pt#; %<<== default
+MCd(1,.3)(.5, .5)(^^30,Ph) endfont
+beginfont() offset_bond_gap#:=1.0pt#;
+MCd(1,.3)(1, .5)(^^30,Ph) endfont
+%***********************************************************************
beginfont("EN:ratio_atom_bond")
ratio_atom_bond:=0.25;
- MCd(.6,.6)(0, .5)(^^30,?6,@(2,5)O)
+ MCd(1,.6)(0, .5)(^^30,?6,@(2,5)O)
ratio_atom_bond:=0.33;
- MCd(.6,.6)(.5, .5)(^^30,?6,@(2,5)O)
+ MCd(1,.6)(.5, .5)(^^30,?6,@(2,5)O)
ratio_atom_bond:=0.45;
- MCd(.6,.6)(1, .5)(^^30,?6,@(2,5)O)
+ MCd(1,.6)(1, .5)(^^30,?6,@(2,5)O)
+endfont
+%***********************************************************************
+beginfont("EN:offset_atom") offset_atom#:=0.0pt#;
+MCd(1,.3)(0, .5)(^^30,?6,@(2,5)O) endfont
+beginfont() offset_atom#:=0.8pt#; %<<== default
+MCd(1,.3)(.5, .5)(^^30,?6,@(2,5)O) endfont
+beginfont() offset_atom#:=2.0pt#;
+MCd(1,.3)(1, .5)(^^30,?6,@(2,5)O) endfont
+%***********************************************************************
+beginfont("EN:ratio_wedge_bond")
+ ratio_wedge_bond:=0.1;
+ MCd(1,.6)(0, .5)(^^30,?6,5:*/Me)
+ ratio_wedge_bond:=0.12;
+ MCd(1,.6)(.5, .5)(^^30,?6,5:*/Me)
+ ratio_wedge_bond:=0.2;;
+ MCd(1,.6)(1, .5)(^^30,?6,5:*/Me)
+endfont
+%***********************************************************************
+beginfont("EN:offset_wedge") offset_wedge#:=0.0pt#;
+MCd(1,.3)(0, .5)(^^30,?6,5:*/Me) endfont
+beginfont() offset_wedge#:=0.4pt#; %<<== default
+MCd(1,.3)(.5, .5)(^^30,?6,5:*/Me) endfont
+beginfont() offset_wedge#:=1.0pt#;
+MCd(1,.3)(1, .5)(^^30,?6,5:*/Me) endfont
+%***********************************************************************
+beginfont("EN:ratio_atomgap_atom")
+ sw_atom_frame:=1;
+ ratio_atomgap_atom:=0.00;
+ MCd(1,.6)(0, .5)(^^30,?6,@(2,5)O)
+ ratio_atomgap_atom:=0.050;
+ MCd(1,.6)(.5, .5)(^^30,?6,@(2,5)O)
+ ratio_atomgap_atom:=0.12;
+ MCd(1,.6)(1, .5)(^^30,?6,@(2,5)O)
endfont
%***********************************************************************
beginfont("EN:ratio_chain_ring")
ratio_chain_ring:= 0.4;
- MCd(.6,.6)(0, .5)(^^30,?6,5:/Et)
+ MCd(1,.6)(0, .5)(^^30,?6,5:/Et)
ratio_chain_ring:= 0.66;
- MCd(.6,.6)(.5, .5)(^^30,?6,5:/Et)
+ MCd(1,.6)(.5, .5)(^^30,?6,5:/Et)
ratio_chain_ring:= 1;
- MCd(.6,.6)(1, .5)(^^30,?6,5:/Et)
+ MCd(1,.6)(1, .5)(^^30,?6,5:/Et)
endfont
%***********************************************************************
-beginfont("EN:ratio_wedge_bond")
- ratio_wedge_bond:=0.1;
- MCd(.6,.6)(0, .5)(^^30,?6,5:*/Me)
- ratio_wedge_bond:=0.15;
- MCd(.6,.6)(.5, .5)(^^30,?6,5:*/Me)
- ratio_wedge_bond:=0.2;;
- MCd(.6,.6)(1, .5)(^^30,?6,5:*/Me)
+beginfont("EN:ratio_zebragap_bond")
+ ratio_zebragap_bond:=0.06;
+ MCd(1,.6)(0, .5)(^^30,Ph,5:/*Me`1)
+ ratio_zebragap_bond:=0.12;
+ MCd(1,.6)(.5, .5)(^^30,Ph,5:/*Me`1)
+ ratio_zebragap_bond:=0.20;
+ MCd(1,.6)(1, .5)(^^30,Ph,5:/*Me`1)
+endfont
+%***********************************************************************
+beginfont("EN:margin_left_right")
+ sw_font_frame:=sw_mol_frame:=1;
+ margin_left_right:=0mm;
+ MCd(1,1)(0.5, .9)(^^30,CH3,!0,!17,CH3)
+ margin_left_right:=0.4mm;
+ MCd(1,1)(0.5, .5)(^^30,CH3,!0,!17,CH3)
+ margin_left_right:=2mm;
+ MCd(1,1)(0.5, .1)(^^30,CH3,!0,!17,CH3)
endfont
%***********************************************************************
-beginfont("EN:ratio_zebra_gap")
- ratio_zebra_gap:=0.06;
- MCd(.6,.6)(0, .5)(^^30,Ph,5:/*Me`1)
- ratio_zebra_gap:=0.12;
- MCd(.6,.6)(.5, .5)(^^30,Ph,5:/*Me`1)
- ratio_zebra_gap:=0.20;
- MCd(.6,.6)(1, .5)(^^30,Ph,5:/*Me`1)
+beginfont("EN:margin_top_bottom")
+ sw_font_frame:=sw_mol_frame:=1;
+ margin_top_bottom:=0mm;
+ MCd(1,1)(0.1, .5)(^^30,Ph,2:/OH,5:/NH2)
+ margin_top_bottom:=0.4mm;
+ MCd(1,1)(0.5, .5)(^^30,Ph,2:/OH,5:/NH2)
+ margin_top_bottom:=2mm;
+ MCd(1,1)(0.9, .5)(^^30,Ph,2:/OH,5:/NH2)
endfont
%***********************************************************************
beginfont("EN:Switwch start vector")
sw_start_vector:=0;
- MCd(.7,.7)( 0, 0)(^^30,Ph,4:/Cl,3:/F)
+ MCd(1,.7)( 0, 0)(^^30,Ph,4:/Cl,3:/F)
sw_start_vector:=1;
- MCd(.7,.7)( 1, 1)(^^30,Ph,4:/Cl,3:/F)
+ MCd(1,.7)( 1, 1)(^^30,Ph,4:/Cl,3:/F)
endfont
%***********************************************************************
beginfont("EN:Switwch numberingA")
@@ -372,26 +428,26 @@ beginfont("EN:Switwch font frame")
endfont
%***********************************************************************
beginfont("EN:Switwch molecular frame")
- MCd(.7,.7)( 0, 0)(^^30,Ph,4:/Cl,3:/F)
+ MCd(1,.7)( 0, 0)(^^30,Ph,4:/Cl,3:/F)
sw_mol_frame:=1;
- MCd(.7,.7)( 1, 1)(^^30,Ph,4:/Cl,3:/F)
+ MCd(1,.7)( 1, 1)(^^30,Ph,4:/Cl,3:/F)
endfont
%***********************************************************************
-%%beginfont("EN:Switwch atom frame")
-%% sw_atom_frame:=1;
-%% MCf(^^30,Ph,4:/COOH,3:/OH)
-%%endfont
+beginfont("EN:Switwch atom frame")
+ sw_atom_frame:=1;
+ MCf(^^30,Ph,4:/COOH,3:/OH)
+endfont
%***********************************************************************
beginfont("EN:Switwch Solid ratio")
- MCd(.7,.7)( 0, 0)(^^30,Ph,4:/Cl,3:/F)
+ MCd(1,.7)( 0, 0)(^^30,Ph,4:/Cl,3:/F)
sw_solid:=1; ratio_bond_width:=0.08;
- MCd(.7,.7)( 1, 1)(^^30,Ph,4:/Cl,3:/F)
+ MCd(1,.7)( 1, 1)(^^30,Ph,4:/Cl,3:/F)
endfont
%***********************************************************************
beginfont("EN:Switwch Expand")
- MCd(.6,.6)(0, 0)(^^30,Ph,4:/COOH,3:/NH2)
+ MCd(1,.6)(0, 0)(^^30,Ph,4:/COOH,3:/NH2)
sw_expand:=1;
- MCd(.6,.6)(1, 1)(^^30,Ph,4:/COOH,3:/NH2)
+ MCd(1,.6)(1, 1)(^^30,Ph,4:/COOH,3:/NH2)
endfont
%***********************************************************************
beginfont("EN:MCd()")
@@ -408,4 +464,29 @@ beginfont("EN:MCf()")
MCf(^^30,Ph,2:/OH,5:/NH2)
endfont
%***********************************************************************
+beginfont("EN:Local setting")
+ sw_mol_frame:=1;
+ MCd(1,.5)(0.0,0.5)(^^30,Ph,@(2)N) endfont
+beginfont() MCd(1,.5)(0.5,0.5)(^^30,Ph,@(2,4)N) endfont
+beginfont() MCd(1,.5)(1.0,0.5)(^^30,Ph,@(2,4,6)N) endfont
+%***********************************************************************
+sw_mol_frame:=1;
+beginfont("EN:Global setting")
+ MCd(1,.5)(0.0,0.5)(^^30,Ph,@(2)N) endfont
+beginfont() MCd(1,.5)(0.5,0.5)(^^30,Ph,@(2,4)N) endfont
+beginfont() MCd(1,.5)(1.0,0.5)(^^30,Ph,@(2,4,6)N) endfont
+sw_mol_frame:=0;
+%***********************************************************************
+%% Output molecular infomation
+beginfont()
+sw_logout:=sw_info_weight:=sw_info_formula:=1;
+MCf(^^30,?6,-4=??5,$(3,8)dl,@(2,6,7,9)N,@(2,6,9)/Me,@(1,5)//O)
+endfont
+%***********************************************************************
+%% Output additional infomation
+beginfont("EN:Caffeine","CAS:58-08-2")
+sw_logout:=1;
+MCf(^^30,?6,-4=??5,$(3,8)dl,@(2,6,7,9)N,@(2,6,9)/Me,@(1,5)//O)
+endfont
+%***********************************************************************
bye
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
index e698bd9a2d8..45889b0718a 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 2896e9e0a06..62429c969d3 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
@@ -1,12 +1,12 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format manual by Akira Yamaji 2015.8.16
+% Molecular Coding Format manual by Akira Yamaji 2015.8.30
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
\usepackage[dvipdfmx]{graphicx}
%%%%\usepackage[pdftex]{graphicx}
%%%%\usepackage{epstopdf}
\pagestyle{empty}
-\topmargin=-17mm
+\topmargin=-18mm
\textheight=27.5cm
\textwidth=18cm
\oddsidemargin=-9mm
@@ -21,19 +21,21 @@
%----------------------------------------------------------------------------
\font\@strufont=mcf_man_soc\relax%
%----------------------------------------------------------------------------
-\def\MCFtitle#1{\framebox{\bf No.\the\tempnum}\hspace{2mm}#1}
+\def\MCFtitle#1{\framebox{\sf No.\the\tempnum}\hspace{2mm}\bf #1}
%----------------------------------------------------------------------------
+\def\MCFstru{%
+ \rlap{\makebox(75,0)[t]{\makebox(70,35){\@strufont\char\fontnum}}}%
+ \advance\fontnum\@ne\relax}%
\def\MCFstructure{%
- \makebox(75,0)[t]{\frame{\makebox(70,35){\@strufont\char\fontnum}}}
- \advance\fontnum\@ne\relax\advance\tempnum\@ne\relax%
-}%
+ \makebox(75,0)[t]{\frame{\makebox(70,35){\@strufont\char\fontnum}}}%
+ \advance\fontnum\@ne\relax\advance\tempnum\@ne\relax}%
%----------------------------------------------------------------------------
\begin{document}
\noindent%
\begin{picture}(180,0)
- \put(35,12){{\LARGE Molecular Coding Format manual}\hspace{10mm}
- by Akira Yamaji 2015.8.16}
-\end{picture}\vspace{-6mm}\\
+ \put(25,12){{\LARGE Molecular Coding Format manual}\hspace{10mm}
+ by Akira Yamaji 2015.8.30}
+\end{picture}\vspace{-4.2mm}\\
%----------------------------------------------------------------------------
\begin{minipage}[t][38mm]{100mm}
\MCFtitle{Chain (1)}
@@ -78,7 +80,7 @@ six membered ring
\vspace{6mm}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][38mm]{100mm}
-\MCFtitle{rotate}
+\MCFtitle{Rotate}
\begin{verbatim}
^^angle:rotate current angle
@@ -221,9 +223,9 @@ Insert hetero atom
\begin{minipage}[t][38mm]{100mm}
\MCFtitle{Fused ring (1)}
\begin{verbatim}
-?6,3=?6 : fuse ?6 at B3
+?6,3=?5 : fuse ?5 at B3
- ?6,3=?6
+ ?6,3=?5
\end{verbatim}
\end{minipage}
@@ -300,8 +302,7 @@ Insert hetero atom
\begin{minipage}[t][38mm]{100mm}
\MCFtitle{Branch (1)}
\begin{verbatim}
-/ : branch bond
-/ : process at last
+/ : branch bond(make at last)
^^30,!3,/!2,!3
\end{verbatim}
@@ -594,7 +595,7 @@ Insert user defined substructure
\begin{verbatim}
max_bond_width:=0.10;
MCd(1,1)(0, .5)(^^30,Ph)
- max_bond_width:=0.15; %<<== default ==>>
+ max_bond_width:=0.15; %<<== default
MCd(1,1)(.33, .5)(^^30,Ph)
max_bond_width:=0.30;
MCd(1,1)(1, .5)(^^30,Ph)
@@ -607,25 +608,39 @@ Insert user defined substructure
\MCFtitle{Ratio thickness/bond length}
\begin{verbatim}
ratio_thickness_bond:= 0.005;
-MCd(.6,.6)(0, .5)(^^30,Ph)
-ratio_thickness_bond:= 0.015; %<<== default ==>>
-MCd(.6,.6)(.5, .5)(^^30,Ph)
+MCd(1,.6)(0, .5)(^^30,Ph)
+ratio_thickness_bond:= 0.015; %<<== default
+MCd(1,.6)(.5, .5)(^^30,Ph)
ratio_thickness_bond:= 0.030;
-MCd(.6,.6)(1, .5)(^^30,Ph)
+MCd(1,.6)(1, .5)(^^30,Ph)
\end{verbatim}
\end{minipage}
\MCFstructure
\vspace{6mm}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][38mm]{100mm}
+\MCFtitle{Offset thickness of bond}
+\begin{verbatim}
+beginfont() offset_thickness#:=0pt#;
+MCd(1,.3)(0, .5)(^^30,Ph) endfont
+beginfont() offset_thickness#:=0.2pt#; %<<== default
+MCd(1,.3)(.5, .5)(^^30,Ph) endfont
+beginfont() offset_thickness#:=0.5pt#;
+MCd(1,.3)(1, .5)(^^30,Ph) endfont
+\end{verbatim}
+\end{minipage}
+\MCFstru\MCFstru\MCFstructure%
+\vspace{6mm}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][38mm]{100mm}
\MCFtitle{Ratio char/bond thickness}
\begin{verbatim}
ratio_char_bond:=1.0;
-MCd(.6,.6)(0, .5)(^^30,?6,5:O,2:NH)
-ratio_char_bond:=1.5; %<<== default ==>>
-MCd(.6,.6)(.5, .5)(^^30,?6,5:O,2:NH)
+MCd(1,.6)(0, .5)(^^30,?6,5:O,2:NH)
+ratio_char_bond:=1.5; %<<== default
+MCd(1,.6)(.5, .5)(^^30,?6,5:O,2:NH)
ratio_char_bond:=2.0;
-MCd(.6,.6)(1, .5)(^^30,?6,5:O,2:NH)
+MCd(1,.6)(1, .5)(^^30,?6,5:O,2:NH)
\end{verbatim}
\end{minipage}
\MCFstructure
@@ -635,53 +650,110 @@ MCd(.6,.6)(1, .5)(^^30,?6,5:O,2:NH)
\MCFtitle{Ratio bondgap/bond length}
\begin{verbatim}
ratio_bondgap_bond:= 0.10;
-MCd(.6,.6)(0, .5)(^^30,Ph)
-ratio_bondgap_bond:= 0.15; %<<== default ==>>
-MCd(.6,.6)(.5, .5)(^^30,Ph)
+MCd(1,.6)(0, .5)(^^30,Ph)
+ratio_bondgap_bond:= 0.15; %<<== default
+MCd(1,.6)(.5, .5)(^^30,Ph)
ratio_bondgap_bond:= 0.20;
-MCd(.6,.6)(1, .5)(^^30,Ph)
+MCd(1,.6)(1, .5)(^^30,Ph)
\end{verbatim}
\end{minipage}
\MCFstructure
\vspace{6mm}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][38mm]{100mm}
+\MCFtitle{Offset of doublebond gap}
+\begin{verbatim}
+beginfont() offset_bond_gap#:=0.0pt#;
+MCd(1,.3)(0, .5)(^^30,Ph) endfont
+beginfont() offset_bond_gap#:=0.3pt#; %<<== default
+MCd(1,.3)(.5, .5)(^^30,Ph) endfont
+beginfont() offset_bond_gap#:=1.0pt#;
+MCd(1,.3)(1, .5)(^^30,Ph) endfont
+\end{verbatim}
+\end{minipage}
+\MCFstru\MCFstru\MCFstructure%
+\vspace{6mm}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][38mm]{100mm}
\MCFtitle{Ratio atom/bond length}
\begin{verbatim}
ratio_atom_bond:= 0.25;
-MCd(.6,.6)(0, .5)(^^30,?6,@(2,5)O)
-ratio_atom_bond:= 0.36; %<<== default ==>>
-MCd(.6,.6)(.5, .5)(^^30,?6,@(2,5)O)
+MCd(1,.6)(0, .5)(^^30,?6,@(2,5)O)
+ratio_atom_bond:= 0.36; %<<== default
+MCd(1,.6)(.5, .5)(^^30,?6,@(2,5)O)
ratio_atom_bond:= 0.45;
-MCd(.6,.6)(1, .5)(^^30,?6,@(2,5)O)
+MCd(1,.6)(1, .5)(^^30,?6,@(2,5)O)
\end{verbatim}
\end{minipage}
\MCFstructure
\vspace{6mm}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][38mm]{100mm}
-\MCFtitle{Ratio chain/ring length}
+\MCFtitle{Offset of atom width}
\begin{verbatim}
-ratio_chain_ring:= 0.4;
-MCd(.6,.6)(0, .5)(^^30,?6,5:/Et)
-ratio_chain_ring:= 0.66; %<<== default ==>>
-MCd(.6,.6)(.5, .5)(^^30,?6,5:/Et)
-ratio_chain_ring:= 1.0;
-MCd(.6,.6)(1, .5)(^^30,?6,5:/Et)
+beginfont() offset_atom#:=0.0pt#;
+MCd(1,.3)(0, .5)(^^30,Ph,@(2,4,6)N) endfont
+beginfont() offset_atom#:=0.8pt#; %<<== default
+MCd(1,.3)(.5, .5)(^^30,Ph,@(2,4,6)N) endfont
+beginfont() offset_atom#:=2.0pt#;
+MCd(1,.3)(1, .5)(^^30,Ph,@(2,4,6)N) endfont
\end{verbatim}
\end{minipage}
-\MCFstructure
+\MCFstru\MCFstru\MCFstructure%
\vspace{6mm}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][38mm]{100mm}
\MCFtitle{Ratio wedge/bond length}
\begin{verbatim}
ratio_wedge_bond:=0.10;
-MCd(.6,.6)(0, .5)(^^30,?6,5:*/Me)
-ratio_wedge_bond:=0.15; %<<== default ==>>
-MCd(.6,.6)(.5, .5)(^^30,?6,5:*/Me)
+MCd(1,.6)(0, .5)(^^30,?6,5:*/Me)
+ratio_wedge_bond:=0.12; %<<== default
+MCd(1,.6)(.5, .5)(^^30,?6,5:*/Me)
ratio_wedge_bond:=0.20;;
-MCd(.6,.6)(1, .5)(^^30,?6,5:*/Me)
+MCd(1,.6)(1, .5)(^^30,?6,5:*/Me)
+\end{verbatim}
+\end{minipage}
+\MCFstructure
+\vspace{6mm}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][38mm]{100mm}
+\MCFtitle{Offset of wedge width}
+\begin{verbatim}
+beginfont("EN:Offset_wedge")
+offset_wedge#:=0.0pt#;
+MCd(1,.3)(0, .5)(^^30,?6,5:*/Me) endfont
+beginfont() offset_wedge#:=0.4pt#; %<<== default
+MCd(1,.3)(.5, .5)(^^30,?6,5:*/Me) endfont
+beginfont() offset_wedge#:=1.0pt#;
+MCd(1,.3)(1, .5)(^^30,?6,5:*/Me) endfont
+\end{verbatim}
+\end{minipage}
+\MCFstru\MCFstru\MCFstructure%
+\vspace{6mm}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][38mm]{100mm}
+\MCFtitle{Ratio font atom gap/atom length}
+\begin{verbatim}
+ratio_atomgap_atom:=0.0;
+MCd(1,.6)(0, .5)(^^30,?6,@(2,5)O)
+ratio_atomgap_atom:=0.050; %<<== default
+MCd(1,.6)(.5, .5)(^^30,?6,@(2,5)O)
+ratio_atomgap_atom:=0.12;
+MCd(1,.6)(1, .5)(^^30,?6,@(2,5)O)
+\end{verbatim}
+\end{minipage}
+\MCFstructure
+\vspace{6mm}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][38mm]{100mm}
+\MCFtitle{Ratio chain/ring length}
+\begin{verbatim}
+ratio_chain_ring:= 0.4;
+MCd(1,.6)(0, .5)(^^30,?6,5:/Et)
+ratio_chain_ring:= 0.66; %<<== default
+MCd(1,.6)(.5, .5)(^^30,?6,5:/Et)
+ratio_chain_ring:= 1.0;
+MCd(1,.6)(1, .5)(^^30,?6,5:/Et)
\end{verbatim}
\end{minipage}
\MCFstructure
@@ -690,12 +762,40 @@ MCd(.6,.6)(1, .5)(^^30,?6,5:*/Me)
\begin{minipage}[t][38mm]{100mm}
\MCFtitle{Ratio zebra gap/bond length}
\begin{verbatim}
-ratio_zebra_gap:=0.06;
-MCd(.6,.6)(0, .5)(^^30,Ph,5:/*Me`1)
-ratio_zebra_gap:=0.12; %<<== default ==>>
-MCd(.6,.6)(.5, .5)(^^30,Ph,5:/*Me`1)
-ratio_zebra_gap:=0.20;
-MCd(.6,.6)(1, .5)(^^30,Ph,5:/*Me`1)
+ratio_zebragap_bond:=0.06;
+MCd(1,.6)(0, .5)(^^30,Ph,5:/*Me`1)
+ratio_zebragap_bond:=0.12; %<<== default
+MCd(1,.6)(.5, .5)(^^30,Ph,5:/*Me`1)
+ratio_zebragap_bond:=0.20;
+MCd(1,.6)(1, .5)(^^30,Ph,5:/*Me`1)
+\end{verbatim}
+\end{minipage}
+\MCFstructure
+\vspace{6mm}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][38mm]{100mm}
+\MCFtitle{Margin left and right}
+\begin{verbatim}
+margin_left_right:=0mm;
+MCd(1,1)(0.5,0.9)(^^30,CH3,!0,!17,CH3)
+margin_left_right:=0.4mm; %<<== default
+MCd(1,1)(0.5,0.5)(^^30,CH3,!0,!17,CH3)
+margin_left_right:=2mm;
+MCd(1,1)(0.5,0.1)(^^30,CH3,!0,!17,CH3)
+\end{verbatim}
+\end{minipage}
+\MCFstructure
+\vspace{6mm}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][38mm]{100mm}
+\MCFtitle{Margin top and bottom}
+\begin{verbatim}
+margin_top_bottom:=0mm;
+MCd(1,1)(0.1,0.5)(^^30,Ph,2:/OH,5:/NH2)
+margin_top_bottom:=0.4mm; %<<== default
+MCd(1,1)(0.5,0.5)(^^30,Ph,2:/OH,5:/NH2)
+margin_top_bottom:=2mm;
+MCd(1,1)(0.9,0.5)(^^30,Ph,2:/OH,5:/NH2)
\end{verbatim}
\end{minipage}
\MCFstructure
@@ -705,9 +805,9 @@ MCd(.6,.6)(1, .5)(^^30,Ph,5:/*Me`1)
\MCFtitle{Switch Start Vector}
\begin{verbatim}
- MCd(.8,.8)( 0, 0)(^^30,Ph,4:/Cl,3:/F)
+ MCd(1,.8)( 0, 0)(^^30,Ph,4:/Cl,3:/F)
sw_start_vector:=1;
- MCd(.8,.8)( 1, 1)(^^30,Ph,4:/Cl,3:/F)
+ MCd(1,.8)( 1, 1)(^^30,Ph,4:/Cl,3:/F)
\end{verbatim}
\end{minipage}
\MCFstructure
@@ -716,10 +816,9 @@ MCd(.6,.6)(1, .5)(^^30,Ph,5:/*Me`1)
\begin{minipage}[t][38mm]{100mm}
\MCFtitle{Switch NumberingA}
\begin{verbatim}
-
sw_numberA:=1;
- MCf(^^30,
- Ph,-4=Ph1,-3\,!,Ph,10:/Et)
+
+ MCf(^^30,Ph,-4=Ph1,-3\,!,Ph,10:/Et)
\end{verbatim}
\end{minipage}
\MCFstructure
@@ -728,10 +827,9 @@ MCd(.6,.6)(1, .5)(^^30,Ph,5:/*Me`1)
\begin{minipage}[t][38mm]{100mm}
\MCFtitle{Switch NumberingB}
\begin{verbatim}
-
sw_numberB:=1;
- MCf(^^30,
- Ph,-4=Ph1,-3\,!,Ph,10:/Et)
+
+ MCf(^^30,Ph,-4=Ph1,-3\,!,Ph,10:/Et)
\end{verbatim}
\end{minipage}
\MCFstructure
@@ -740,8 +838,8 @@ MCd(.6,.6)(1, .5)(^^30,Ph,5:/*Me`1)
\begin{minipage}[t][38mm]{100mm}
\MCFtitle{Switch font frame}
\begin{verbatim}
-
sw_font_frame:=1;
+
MCf(^^30,Ph,4:/Cl,3:/F)
\end{verbatim}
\end{minipage}
@@ -752,32 +850,33 @@ MCd(.6,.6)(1, .5)(^^30,Ph,5:/*Me`1)
\MCFtitle{Switch molecular frame}
\begin{verbatim}
- MCd(.8,.8)(0,0)(^^30,Ph,4:/Cl,3:/F)
+ MCd(1,.8)(0,0)(^^30,Ph,4:/Cl,3:/F)
sw_mol_frame:=1;
- MCd(.8,.8)(1,1)(^^30,Ph,4:/Cl,3:/F)
+ MCd(1,.8)(1,1)(^^30,Ph,4:/Cl,3:/F)
\end{verbatim}
\end{minipage}
\MCFstructure
\vspace{6mm}\\
%-----------------------------------------------------------------------------
-%%\begin{minipage}[t][38mm]{100mm}
-%%\MCFtitle{Switch atom frame}
-%%\begin{verbatim}
-%%
-%% sw_atom_frame:=1;
-%% MCf(^^30,Ph,4:/COOH,3:/OH)
-%%\end{verbatim}
-%%\end{minipage}
-%%\MCFstructure
-%%\vspace{6mm}\\
+\begin{minipage}[t][38mm]{100mm}
+\MCFtitle{Switch atom frame}
+\begin{verbatim}
+
+ sw_atom_frame:=1;
+
+ MCf(^^30,Ph,4:/COOH,3:/OH)
+\end{verbatim}
+\end{minipage}
+\MCFstructure
+\vspace{6mm}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][38mm]{100mm}
-\MCFtitle{Switch Solid ratio}
+\MCFtitle{Switch solid mode}
\begin{verbatim}
- MCd(.8,.8)( 0, 0)(^^30,Ph,4:/Cl,3:/F)
+ MCd(1,.8)( 0, 0)(^^30,Ph,4:/Cl,3:/F)
sw_solid:=1; ratio_bond_width:=0.08;
- MCd(.8,.8)( 1, 1)(^^30,Ph,4:/Cl,3:/F)
+ MCd(1,.8)( 1, 1)(^^30,Ph,4:/Cl,3:/F)
\end{verbatim}
\end{minipage}
\MCFstructure
@@ -787,9 +886,9 @@ MCd(.6,.6)(1, .5)(^^30,Ph,5:/*Me`1)
\MCFtitle{Switch Expand}
\begin{verbatim}
- MCd(.6,.6)(0,0)(^^30,Ph,4:/COOH,3:/NH2)
+ MCd(1,.6)(0,0)(^^30,Ph,4:/COOH,3:/NH2)
sw_expand:=1;
- MCd(.6,.6)(1,1)(^^30,Ph,4:/COOH,3:/NH2)
+ MCd(1,.6)(1,1)(^^30,Ph,4:/COOH,3:/NH2)
\end{verbatim}
\end{minipage}
\MCFstructure
@@ -798,13 +897,13 @@ MCd(.6,.6)(1, .5)(^^30,Ph,5:/*Me`1)
\begin{minipage}[t][38mm]{100mm}
\MCFtitle{Function MCd}
\begin{verbatim}
- MCd(1,0.8)(0.2,0.9)(^^30,Ph,2:/OH,5:/NH2)
- MCd(1,0.8)(0.8,0.1)(^^30,Ph,2:/OH,5:/NH2)
-
- MCd(a,b)(c,d)(MCF)
+ MCd(a,b)(c,d)(...)
a: ratio molecular width/font width
b: ratio molecular hight/font hight
c: x axis position d:y axis position
+
+ MCd(1,0.8)(0.2,0.9)(^^30,Ph,2:/OH,5:/NH2)
+ MCd(1,0.8)(0.8,0.1)(^^30,Ph,2:/OH,5:/NH2)
\end{verbatim}
\end{minipage}
\MCFstructure
@@ -813,14 +912,73 @@ MCd(.6,.6)(1, .5)(^^30,Ph,5:/*Me`1)
\begin{minipage}[t][38mm]{100mm}
\MCFtitle{Function MCf}
\begin{verbatim}
+ MCf(...) : MCd(1,1)(0.5,0.5)(...)
- MCf(^^30,Ph,2:/OH,5:/NH2)
-
- MCf(MCF) : MCd(1,1)(0.5,0.5)(MCF)
+ sw_font_frame:=1; sw_mol_frame:=1;
+ MCf(^^30,Ph,2:/OH,5:/NH2)
\end{verbatim}
\end{minipage}
\MCFstructure
\vspace{6mm}\\
%-----------------------------------------------------------------------------
+\begin{minipage}[t][38mm]{100mm}
+\MCFtitle{Local setting}
+\begin{verbatim}
+beginfont("NO:1")
+ sw_mol_frame:=1; % <<== Local setting
+ MCd(1,.5)(0.0,0.5)(^^30,Ph,@(2)N) endfont
+beginfont("NO:2")
+ MCd(1,.5)(0.5,0.5)(^^30,Ph,@(2,4)N) endfont
+beginfont("NO:3")
+ MCd(1,.5)(1.0,0.5)(^^30,Ph,@(2,4,6)N) endfont
+\end{verbatim}
+\end{minipage}
+\MCFstru\MCFstru\MCFstructure%
+\vspace{6mm}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][38mm]{100mm}
+\MCFtitle{Global setting}
+\begin{verbatim}
+sw_mol_frame:=1; % <<== Global setting
+beginfont("NO:1")
+ MCd(1,.5)(0.0,0.5)(^^30,Ph,@(2)N) endfont
+beginfont("NO:2")
+ MCd(1,.5)(0.5,0.5)(^^30,Ph,@(2,4)N) endfont
+beginfont("NO:3")
+ MCd(1,.5)(1.0,0.5)(^^30,Ph,@(2,4,6)N) endfont
+\end{verbatim}
+\end{minipage}
+\MCFstru\MCFstru\MCFstructure%
+\vspace{6mm}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][38mm]{100mm}
+\MCFtitle{Output molecular infomation}
+\begin{verbatim}
+beginfont() sw_info_weight:=sw_info_formula:=1;
+MCf(...) endfont
+%% Output to mcf_man_soc_info.aux %%
+\INFO{{F:mcf_man_soc}{C:82}{MWc:194.19174}
+ {FMc:C8H10N4O2}}%
+MWc:calculated molecular weight
+FMc:calculated molecular formula
+\end{verbatim}
+\end{minipage}
+\MCFstructure
+\vspace{6mm}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][38mm]{100mm}
+\MCFtitle{Output additional infomation}
+\begin{verbatim}
+beginfont("EN:Caffeine","CAS:58-08-2")
+MCf(...) endfont
+%% Output to mcf_man_soc_info.aux %%
+\INFO{{F:mcf_man_soc}{C:83}{EN:Caffeine}
+ {CAS:111-111-111}}%
+*F:filename *C:char number EN:molecular name
+CAS:CAS number *:default output
+\end{verbatim}
+\end{minipage}
+\MCFstructure
+%-----------------------------------------------------------------------------
\end{document}
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 3c4a208015f..d7ab27f6662 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/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
index 8576614b35c..ae32d1dd010 100644
--- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
+++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 3.59 Copyright (c) 2013-2015 Akira Yamaji
+% mcf2graph ver 3.595 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,
@@ -70,11 +70,12 @@ 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;
first_def_number:=500; user_def_number:=2500; ab_def_number:=3000; unit_e:=1/2048;
-lr_margin:=tb_margin:=0.4mm; ratio_chain_ring:= 0.66; ratio_atom_bond:=0.36;
+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;
-ratio_char_bond:=1.5; ratio_bondgap_bond:=0.15; ratio_zebra_gap:=0.12;
-ratio_zebra_black:=0.4; ratio_wedge_bond:=0.15; font_gap:=.066;
-offset_thick#:=0.2pt#; offset_gap#:=0.3pt#; offset_zebra_gap#:=0.1pt#;
+ratio_char_bond:=1.5; ratio_bondgap_bond:=0.15; ratio_zebragap_bond:=0.12;
+ratio_zebra_black:=0.4; ratio_wedge_bond:=0.12; ratio_atomgap_atom:=.050;
+offset_thickness#:=0.2pt#; offset_bond_gap#:=0.3pt#; offset_zebra_gap#:=0.1pt#;
+offset_wedge#:=0.4pt#;
par_s=ASCII("{"); par_e=ASCII("}"); score_u=ASCII("_"); hat=ASCII("^");
max_info_num:=12; for i:=1 upto max_info_num: info[i]:=":"; endfor
def def_com(expr n)(text tx)= nA:=n; forsuffixes list=tx:: list:=nA; nA:=nA+1; endfor enddef;
@@ -84,11 +85,14 @@ def_com(-4000)(_term,_jp_atom,_jp_atom_abs,_jp_bond,_cyc,_cyc_sB,_cyc_eB,_set_li
_set_clr,_set_adr,_mk_bond,_set_atom,_arg_ang,_chg_atom,_tmp_rot,_fuse,_push,_pop,_size_a);
def_com(1)(si,dl,dr,dm,tm,wf,wb,bd,zf,zb,ov,dt,no,ar,vf,vb,wv,nl);
%-------------------------------------------------------------------------------------------------
-def parameter_list= sw_checklist,sw_numberA,sw_numberB,sw_mol_frame,sw_logout,sw_solid,sw_expand,
+def parameter_list=
+ sw_checklist,sw_numberA,sw_numberB,sw_mol_frame,sw_logout,sw_solid,sw_expand,
sw_MOLfile,sw_start_vector,sw_atom_frame,sw_font_frame,
- lr_margin,tb_margin,ratio_atom_bond,ratio_thickness_bond,ratio_char_bond,
- ratio_chain_ring,offset_atom,max_bond_width,ratio_bondgap_bond,ratio_zebra_black,
- ratio_zebra_gap,ratio_wedge_bond,font_gap,offset_zebra_gap,offset_gap,offset_thick
+ margin_left_right,margin_top_bottom,ratio_atom_bond,ratio_thickness_bond,ratio_char_bond,
+ ratio_chain_ring,offset_atom,offset_atom#,max_bond_width,ratio_bondgap_bond,ratio_zebra_black,
+ ratio_zebragap_bond,ratio_wedge_bond,ratio_atomgap_atom,offset_wedge,offset_wedge#,
+ offset_zebra_gap,offset_zebra_gap#,offset_bond_gap,offset_bond_gap#,
+ offset_thickness,offset_thickness#
enddef;
%-------------------------------------------------------------------------------------------------
nA:=0; for list=parameter_list: st_p[incr nA]:=list; endfor
@@ -97,8 +101,10 @@ def restore_par(text t)= nA:=0;
forsuffixes list=t: if list<>st_p[incr nA]: list:=st_p[nA]; fi endfor
enddef;
%-------------------------------------------------------------------------------------------------
-def beginfont(text s)= mol_name:=mol_formula:=""; len_x:=len_y:=cntA:=info_num:=mol_weight:=0;
- store_par(parameter_list); ratio_bond_width:=1mm#/font_wd#;
+def beginfont(text s)=
+ mol_name:=mol_formula:=""; len_x:=len_y:=cntA:=info_num:=mol_weight:=0;
+ store_par(parameter_list);
+ ratio_bond_width:=1mm#/font_wd#;
for list=s: info_num:=info_num+1; info[info_num]:=list;
if substring (0,2) of list="EN": mol_name:=substring (3,length(list)) of list; fi
if substring (0,2) of list="FM": mol_formula:=substring (3,length(list)) of list; fi
@@ -121,11 +127,11 @@ def endfont=
enddef;
%-------------------------------------------------------------------------------------------------
def size_setup= BL# := font_wd#*ratio_bond_width;
- wedge_wd# := ratio_wedge_bond*BL#;
- zebra_gap# := ratio_zebra_gap*BL#+offset_zebra_gap#;
+ wedge_wd# := ratio_wedge_bond*BL#+offset_wedge#;
+ zebra_gap# := ratio_zebragap_bond*BL#+offset_zebra_gap#;
AL# := ratio_atom_bond*BL#+offset_atom#;
- gap# := ratio_bondgap_bond*BL#+offset_gap#;
- bond_pen_wd# := ratio_thickness_bond*BL#+offset_thick#;
+ gap# := ratio_bondgap_bond*BL#+offset_bond_gap#;
+ bond_pen_wd# := ratio_thickness_bond*BL#+offset_thickness#;
char_pen_wd# := ratio_char_bond*bond_pen_wd#;
define_pixels(BL,zebra_gap,wedge_wd,AL,gap,bond_pen_wd,char_pen_wd,font_wd,font_ht);
font_size_setup;
@@ -153,8 +159,8 @@ for i=1 upto cntA: xpos:=xpart(posA[i]); ypos:=ypart(posA[i]);
enddef;
%-------------------------------------------------------------------------------------------------
def resize(expr WD,HT)=
- if (len_y/len_x)>(font_ht/font_wd): factor:=(font_ht*HT-2tb_margin)/len_y;
- else: factor:=(font_wd*WD-2lr_margin)/len_x; fi
+ if (len_y/len_x)>(font_ht/font_wd): factor:=(font_ht*HT-2margin_top_bottom)/len_y;
+ else: factor:=(font_wd*WD-2margin_left_right)/len_x; fi
ratio_bond_width:=ratio_bond_width*factor; len_x:=len_x*factor; len_y:=len_y*factor;
enddef;
%-------------------------------------------------------------------------------------------------
@@ -577,12 +583,12 @@ enddef;
def POh= (hP,.25aH)..z19..(fW,.25aH)..(hW,hH)..cycle enddef;
def FD(expr c)(text s)=
if f_FON[ASCII(c)]=1:
- aW:=atom_w[ASCII(c)]*(1-font_gap*2); aH:=atom_h[ASCII(c)]*(1-font_gap*2);
+ aW:=atom_w[ASCII(c)]*(1-ratio_atomgap_atom*2); aH:=atom_h[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); z05=(aW,hP); z07=(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);
s;
- atom_font[ASCII(c)]:=currentpicture shifted (font_gap*AL,font_gap*AL);
+ atom_font[ASCII(c)]:=currentpicture shifted (ratio_atomgap_atom*AL,ratio_atomgap_atom*AL);
clearxy; save x,y; clearit; fi
enddef;
%-------------------------------------------------------------------------------------------------