mcf2graph (3jun18)

git-svn-id: svn://tug.org/texlive/trunk@47911 c570f23f-e606-0410-a88d-b1316a301751

1 files changed, 29 insertions, 33 deletions

diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
index d5e694c8ca4..f39d7cbf80c 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 2018.04.16
+%  Molecular Coding Format manual           by  Akira Yamaji 2018.06.03
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \documentclass[a4paper]{article}
 %%%%\documentclass[a4paper,twoside]{article}
@@ -85,7 +85,6 @@
 \linethickness{0.08mm}%
 %----------------------------------------------------------------------------
 \newpage
-\setcounter{page}{1}
 \section{Introduction}
 Molecular Coding Format(MCF) is new linear notation
 represent chemical structure diagrams.
@@ -93,7 +92,7 @@ This 'Coding' is named from coding(programing) technique
 like adressing,grouping,macro,etc. 
 There are no Meta language commands in MCF.
 mcf2graph convert MCF file to graphics file
-pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
+pk font,PNG,SVG,EPS or MDL MOL file.\\
 %-----------------------------------------------------------------------------
 \section{MCF syntax}
 \subsection{Make bond}
@@ -227,28 +226,17 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
 \begin{verbatim}
   Bn=bond type : change bond type at Bn
   dt : dotted  /  wv : wave
-
-  <30,!3,1=dt,3=wv
-\end{verbatim}
-\MCFstructure
-\vspace{-3mm}%
-\begin{verbatim}
-    dt        wv
-\end{verbatim}
-%-----------------------------------------------------------------------------
-\subsubsection{Broad}
-\begin{verbatim}
   bd : broad  /  bz : broad dotted 
 
-  <30,!3,1=bd,3=bz
+  <30,!7,1=dt,3=wv,5=bd,7=bz
 \end{verbatim}
 \MCFstructure
 \vspace{-3mm}%
 \begin{verbatim}
-    bd        bz
+    dt      wv       bd       bz
 \end{verbatim}
 %-----------------------------------------------------------------------------
-\subsubsection{Change multi bond type}
+\subsubsection{Change multiple bond type}
 \begin{verbatim}
   {2,4,6}=dr : 2=dr,4=dr,6=dr
 
@@ -294,7 +282,6 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
 \end{verbatim}
 \MCFstructure
 %-----------------------------------------------------------------------------
-\newpage
 \subsection{Change atom}
 \subsubsection{Insert atom}
 \begin{verbatim}
@@ -307,9 +294,9 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
 \subsubsection{Addressed atom}
 \begin{verbatim}
   2:O : change A2 C to O
-  {3,5}:N : change  A3,A5 C to N
+  {3,4}:N : change  A3,A4 C to N
 
-  <30,!6,2:O,{3,5}:N
+  <30,!4,2:O,{3,4}:N
 \end{verbatim}
 \MCFstructure
 %-----------------------------------------------------------------------------
@@ -346,6 +333,14 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
 \end{verbatim}
 \MCFstructure
 %-----------------------------------------------------------------------------
+\subsubsection{Charged atom}
+\begin{verbatim}
+  N[1]:N+ / O[-1]:O-
+
+  <-30,!2,N[1],!2,O[-1]
+\end{verbatim}
+\MCFstructure
+%-----------------------------------------------------------------------------
 \subsection{Fuse ring}
 \subsubsection{Attached 1 bond}
 \begin{verbatim}
@@ -1053,6 +1048,8 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
  p[m]: molecular origin position
  w[m]: molecular width
  h[m]: molecular height
+ ratio_thickness_char:
+   pen thickness / char width
 
 %----------------------------------------
 beginfont()
@@ -1064,17 +1061,13 @@ beginfont()
  MCd(1,1)(0.1,0.5)
   (<-210,60`1,60`1,60`1,{1,3}=dl,
    1:/R1,4:/R2^-60)
- ext(
-   defaultscale:=0.6;
-   label.bot("Diene",p0+(0.5w,0));
- )
+   ext(defaultscale:=0.6;
+     label.bot("Diene",p0+(0.5w,0));)
  %---------------------------------------
  MCd(1,1)(0.4,0.5)
   (<-30,-60`1,1=dl,1:/R3,2:/R4^60)
- ext(
-   defaultscale:=0.6;
-   label.bot("Dienophile",p0+(0.5w,0));
- )
+   ext(defaultscale:=0.6;
+     label.bot("Dienophile",p0+(0.5w,0));)
  %---------------------------------------
  MCd(1,1)(0.9,0.5)
   (<30,?6,6=dl,2:/R2,3:/R4,4:/R3,5:/R1)
@@ -1083,6 +1076,7 @@ beginfont()
    drawarrow (0.52w,0.5h)..(0.6w,0.5h);
    defaultscale:=0.7;
    label("+",(0.25w,0.5h));
+   ratio_thickness_char:=0.125;
    label.bot("Diels-Alder Reaction",
             (0.5w,h));
  )
@@ -1245,7 +1239,7 @@ drawarrow & drawdblarrow:
   13=dl,6=wf,8=wb,
   5:@,40~zf`1,O,60,//O^180,14~zb:&,
   2:/COOH,7://_,13:*/OH,8:/*OH,
-  14:*/_,{1^60,4^60}:*/H
+  14:*/_,{1,4}:*/H^60
 \end{verbatim}
 \MCFstructure
 %-----------------------------------------------------------------------------
@@ -1494,15 +1488,17 @@ cFM : molecular formula calculated
 \newpage
 %------------------------------------------------------------------------
 \noindent%
-\subsection{Molfile output}
+\subsection{MOL file output}
 \paragraph{(Insert option parameter setting)}
 \begin{verbatim}
-  sw_MOLout:=1;
-  ** default : sw_MOLout=0
+  sw_mol_out:=1; (V2000)
+  sw_mol_out:=2; (V3000)
+  ** default : sw_mol_out=0
 \end{verbatim}
 \paragraph{(Command line)}
 \begin{verbatim}
-  >mpost -s ahangle=3  FILENAME (molecular definition file)
+  >mpost -s ahangle=3  FILENAME (molecular definition file) V2000
+  >mpost -s ahangle=4  FILENAME (molecular definition file) V3000
 \end{verbatim}
 \paragraph{(Output)}
 \begin{verbatim}