mcf2graph (23jul17)

git-svn-id: svn://tug.org/texlive/trunk@44875 c570f23f-e606-0410-a88d-b1316a301751

11 files changed, 119 insertions, 80 deletions

diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
index ace374f67a4..4de23e53dfc 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
@@ -1,6 +1,15 @@
 *******************************************************************************
- Changelog of mcf2graph software package          by Akira Yamaji 2017-07-17
+ Changelog of mcf2graph software package          by Akira Yamaji 2017-07-23
 *******************************************************************************
+[ver. 4.25  / 2017-07-23]
+  -improve label,arrow emulation
+  -change variable name
+    Bs[]   => B[]s
+    Be[]   => B[]e
+    B[]ang => B[]dir
+    A[]bra => B[]dir
+  -update MCF syntax manual
+
 [ver. 4.24  / 2017-07-17]
   -atom font can be changed
   -update MCF syntax manual
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README
index 2a6f9d3f4cc..ea893d97259 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    : 4.24 2017-07-17
+ version    : 4.25 2017-07-23
  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 da7547e107d..b0b17391ec1 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  2017.07.17
+% Molecular Coding Format for mcf_example.tex   by Akira Yamaji  2017.07.23
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf;   %%% it must be version 4.24 or later
+input mcf2graph.mf;   %%% it must be version 4.25 or later
 %-------------------------------------------------------------------------
 font_wd:=33mm;
 font_ht:=24mm;
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
index 3faa6d937b8..124f7f52095 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-064.eps b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-064.eps
index 9856d53f03e..18cc3933692 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
@@ -2,7 +2,7 @@
 %%BoundingBox: -1 -1 212 60 
 %%HiResBoundingBox: -0.09962 -0.09962 211.90288 59.64348 
 %%Creator: MetaPost 2.000
-%%CreationDate: 2017.07.10:1950
+%%CreationDate: 2017.07.23:0937
 %%Pages: 1
 %%DocumentResources: procset mpost-minimal
 %%+ font NJFVSO-NimbusSanL-Regu ICXWUR-CMR8
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 21e5c047ba9..61053eec416 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
@@ -111,9 +111,25 @@ beginfont("EN:Chain 1")
   numberB_end:=6;
   ratio_chain_ring:=1;
 %----------------------------------------------------------------------
-  MCf(<30,-60,60,-90,120,-90,60,
-       {1^-60,2^60,3^-45,4^30,5^-45,6^60}:/_~dt`.4
+  MCf(<15,-30,45,-45,30,-30,60,
+       {1^-75,2^67.5,3^-60,4^75,5^-75,6^60}:/_~dt
      )
+  ext(
+    defaultsize:=4bp;
+    labeloffset:=2bp;
+    drawarrow .7[B7s,B7e]{dir(B7dir-90)}..{dir(B1dir-90)}.7[B1s,B1e];
+    label.ulft("-30",.7[B7s,B7e]);
+    drawarrow .7[B8s,B8e]{dir(B8dir+90)}..{dir(B2dir+90)}.7[B2s,B2e];
+    label.llft("45",.7[B8s,B8e]);
+    drawarrow .7[B9s,B9e]{dir(B9dir-90)}..{dir(B3dir-90)}.7[B3s,B3e];
+    label.ulft("-45",.7[B9s,B9e]);
+    drawarrow .7[B10s,B10e]{dir(B10dir+90)}..{dir(B4dir+90)}.7[B4s,B4e];
+    label.llft("30",.7[B10s,B10e]);
+    drawarrow .7[B11s,B11e]{dir(B11dir-90)}..{dir(B5dir-90)}.7[B5s,B5e];
+    label.ulft("-30",.7[B11s,B11e]);
+    drawarrow .7[B12s,B12e]{dir(B12dir+90)}..{dir(B6dir+90)}.7[B6s,B6e];
+    label.llft("60",.7[B12s,B12e]);
+  )
 endfont
 %***********************************************************************
 beginfont("EN:Chain 2")
@@ -123,8 +139,24 @@ beginfont("EN:Chain 2")
   ratio_chain_ring:=1;
 %----------------------------------------------------------------------
   MCf(<30,!6,
-       {1^-60,2^60,3^-60,4^60,5^-60,6^60}:/_~dt`.6
+       {1^-60,2^60,3^-60,4^60,5^-60,6^60}:/_~dt
      )
+  ext(
+    defaultsize:=4bp;
+    labeloffset:=2bp;
+    drawarrow .7[B7s,B7e]{dir(B7dir-90)}..{dir(B1dir-90)}.7[B1s,B1e];
+    label.ulft("-60",.7[B7s,B7e]);
+    drawarrow .7[B8s,B8e]{dir(B8dir+90)}..{dir(B2dir+90)}.7[B2s,B2e];
+    label.llft("60",.7[B8s,B8e]);
+    drawarrow .7[B9s,B9e]{dir(B7dir-90)}..{dir(B3dir-90)}.7[B3s,B3e];
+    label.ulft("-60",.7[B9s,B9e]);
+    drawarrow .7[B10s,B10e]{dir(B10dir+90)}..{dir(B4dir+90)}.7[B4s,B4e];
+    label.llft("60",.7[B10s,B10e]);
+    drawarrow .7[B11s,B11e]{dir(B11dir-90)}..{dir(B5dir-90)}.7[B5s,B5e];
+    label.ulft("-60",.7[B11s,B11e]);
+    drawarrow .7[B12s,B12e]{dir(B12dir+90)}..{dir(B6dir+90)}.7[B6s,B6e];
+    label.llft("60",.7[B12s,B12e]);
+  )
 endfont
 %***********************************************************************
 beginfont("EN:Jump and Branch")
@@ -176,7 +208,7 @@ beginfont("EN:Connect atom")
   sw_numberA:=1;
   ratio_chain_ring:=1;
 %----------------------------------------------------------------------
-  MCf(<30,!6,3:\,!,&5)
+  MCf(<30,!6,3:\,!,&5~bd)
 endfont
 %***********************************************************************
 beginfont("EN:ring")
@@ -193,8 +225,18 @@ beginfont("EN:rotate 1")
   margin_top_bottom:=3mm;
   sw_clip:=1;
   sw_numberB:=1;
+  ratio_chain_ring:=1;
   numberB_end:=5;
-  MCf(``1,0,0,<90,0,<-90,0,0,{1,2,3,4,5}=vf,{3,4^180}:/_~dt`.5)
+    defaultsize:=4bp;
+    labeloffset:=2bp;
+  MCf(``1,0,0,<90,0,<-90,0,0,{1,2,3,4,5}=vf,
+      {3,4^180}:/_~dt)
+  ext(
+    drawarrow .7[B6s,B6e]{dir(B6dir+90)}..{dir(B3dir+90)}.7[B3s,B3e];
+    label.urt("90",.7[B6s,B6e]);
+    drawarrow .7[B7s,B7e]{dir(B7dir-90)}..{dir(B4dir-90)}.7[B4s,B4e];
+    label.urt("-90",.7[B7s,B7e]);
+  )
 endfont
 %***********************************************************************
 beginfont("EN:change bond 1")
@@ -935,9 +977,9 @@ beginfont("EN:ext()")
   font_ht:=20mm;
   MCd(1,0.7)(0,0.5)(<30,?6,3=dl,4:/CH3)
   ext(
-    B7:=0.37[Bs7,Be7];
     label.top("+",A7);
-    drawarrow B3{dir 0}..{dir 150}B7;
+    drawarrow B3{dir(B3dir-90)}..
+              {dir(B7dir+90)}0.4[B7s,B7e];
   )
   MCd(1,0.7)(1,0.5)(<30,?6,4://CH3)
   ext(
@@ -1090,3 +1132,6 @@ bye
 %%%%
 bye
 ye
+
+ye
+
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
index e3118dfadd2..8ae541b17f1 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
index fa6407cebaf..fc91c42fec3 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
@@ -1,7 +1,8 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-%  Molecular Coding Format manual           by  Akira Yamaji 2017.07.17
+%  Molecular Coding Format manual           by  Akira Yamaji 2017.07.23
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \documentclass[a4paper]{article}
+%%%%\documentclass[a4paper,twoside]{article}
 %%%%\usepackage{graphicx}
 \usepackage[dvipdfm]{graphicx}
 %%%%\usepackage[pdftex]{graphicx}
@@ -13,6 +14,8 @@
 \textheight=254mm
 \textwidth=168mm
 \oddsidemargin=0mm
+%%%%\oddsidemargin=7mm
+%%%%\evensidemargin=-7mm
 \unitlength=1mm%
 \makeatletter
 %----------------------------------------------------------------------------
@@ -95,7 +98,7 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
   real number plus (+): anticlockwize 
   real number minus(-): clockwize
 
-  <30,-60,60,-90,120,-90,60
+  <15,-30,45,-45,30,-30,60
 \end{verbatim}
 \MCFstructure
 %-----------------------------------------------------------------------------
@@ -152,7 +155,7 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
 \begin{verbatim}
   &n : Connect to An
 
-  <30,!6,3:\,!,&5
+  <30,!6,3:\,!,&5~bd
 \end{verbatim}
 \MCFstructure
 %-----------------------------------------------------------------------------
@@ -1092,12 +1095,12 @@ endfont
  l:       bond length
  An:      atom number
  A[m]:    atom position
- A[m]bra: branch angle of A[m]
+ A[m]dir: branch direction of A[m]
  Bn:      bond number
- B[m]:    bond position(0.5[Bs[m],Be[m]])
- Bs[m]:   bond start position
- Be[m]:   bond end position
- B[m]ang: bond angle
+ B[m]s:   bond start position
+ B[m]e:   bond end position
+ B[m]:    bond position(0.5[B[m]s,B[m]e])
+ B[m]dir: bond direction
 
 %----------------------------------------
 beginfont()
@@ -1107,8 +1110,8 @@ beginfont()
   MCd(1,0.7)(0,0.5)(<30,?6,3=dl,4:/CH3)
   ext(
     label.top("+",A7);
-    B7:=0.37[Bs7,Be7];
-    drawarrow B3{dir 0}..{dir 150}B7;
+    drawarrow B3{dir(B3dir-90)}..
+              {dir(B7dir+90)}0.4[B7s,B7e];
     )
  %---------------------------------------
   MCd(1,0.7)(1,0.5)(<30,?6,4://CH3)
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 4ad2bfe7c90..c7194b93da4 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
index 5888f7073a0..108a88466ae 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
@@ -1,7 +1,7 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of  MCF typest with LuaLaTeX(luamplib)     by A.Yamaji    2017.07.17
+% Example of  MCF typest with LuaLaTeX(luamplib)     by A.Yamaji    2017.07.23
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-%%% mcf2graph.mf it must be version 4.24 or later
+%%% mcf2graph.mf it must be version 4.25 or later
 \documentclass{article}
 %------------------------------------------------------------------------------
 \usepackage{luamplib}%
diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
index 92631563f66..48c2b301b3a 100644
--- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
+++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
@@ -1,5 +1,5 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 4.24     Copyright (c) 2013-2017   Akira Yamaji
+% mcf2graph ver 4.25     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,
@@ -100,10 +100,6 @@ 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:="ucrr8r";      % Courier
-%%%%defaultfont:="ucrb8r";      % Courier bold
-%%%%defaultfont:="utmr8r";      % Times
 ahangle:=45;
 ahlength:=4bp;
 defaultsize:=8bp;
@@ -129,7 +125,7 @@ def parameter_list=
   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,
+  ratio_wedge_bond,ratio_atomgap_atom,ratio_bond_width,font_wd,font_ht,
   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,
   atomfontsize,defaultsize,defaultscale,labeloffset
@@ -335,52 +331,45 @@ def ext_setup=
   labeloffset:=3bp;
   em=defaultscale*defaultsize;
   if (defaultfont="draw")or(f_MP=0):
+    save label,dotlabel;
     def label = label_emu enddef;
     def dotlabel = dotlabel_emu enddef;
   fi
-  if sw_arrow=0:
+  if (sw_arrow=0)or(f_MP=0):
+    save drawarrow,drawdblarrow;
     def drawarrow = drawarrow_emu enddef;
     def drawdblarrow = drawdblarrow_emu enddef;
   fi
 enddef;
 %--------------------------------------------------------------------------------------------------
-def EXT(text s)=
+def EXT(text TXT)=
   begingroup
   save w,h,wd,ht,n,p,am,em,aw;
   pair p[];
   ext_setup;
-  w:=font_wd;
-  h:=font_ht;
-  wd:=w-2margin_left_right;
-  ht:=h-2margin_top_bottom;
+  w:=font_wd; h:=font_ht;
+  wd:=w-2margin_left_right; ht:=h-2margin_top_bottom;
   p0:=(margin_left_right,margin_top_bottom);
   aw:=atom_wd;
   n:=cntM;
   for i=1 upto n: p[i]:=posM[1][i]; endfor
-  s addto mol_stru[0] also currentpicture; clearit; f_ext:=1;
+  TXT addto mol_stru[0] also currentpicture; clearit; f_ext:=1;
   endgroup;
 enddef;
 %--------------------------------------------------------------------------------------------------
-def ext(text s)=
+def ext(text TXT)=
   begingroup
-  save wd,ht,n,l,p,am,em,aw,A,B,Bs,Be;
-  numeric A[]bra,B[]ang;
-  pair p[],A[],B[],Bs[],Be[];
+  save wd,ht,n,l,p,am,em,aw,A,B;
+  numeric A[]dir,B[]dir;
+  pair p[],A[],B[],B[]s,B[]e;
   ext_setup;
-  wd:=mol_wd;
-  ht:=mol_ht;
-  l:=bond_len;
-  aw:=atom_wd;
-  p0:=(minX,minY);
-  An:=cntA;
-  Bn:=cntB;
-  for i=1 upto An: A[i]:=posA[i]; A[i]bra:=ang_br[i]; endfor
+  wd:=mol_wd; ht:=mol_ht; l:=bond_len; aw:=atom_wd;
+  p0:=(minX,minY); An:=cntA; Bn:=cntB;
+  for i=1 upto An: A[i]:=posA[i]; A[i]dir:=ang_br[i]; endfor
   for i=1 upto Bn:
-    Bs[i]:=posA[sB[i]]; Be[i]:=posA[eB[i]];
-    B[i]:=0.5[Bs[i],Be[i]];
-    B[i]ang:=angB[i];
+    B[i]s:=posA[sB[i]]; B[i]e:=posA[eB[i]]; B[i]:=0.5[B[i]s,B[i]e]; B[i]dir:=angB[i];
   endfor
-  s addto mol_stru[cntM] also currentpicture; clearit;
+  TXT addto mol_stru[cntM] also currentpicture; clearit;
   endgroup;
 enddef;
 %==================================================================================================
@@ -747,7 +736,7 @@ def add_bond(expr m)=
   if f_end=0:
     if lenB[cntB+1]=_size_a: posBe:=sfB(posBs,atom_wd,angT);
     else:
-      nA:=lenB[cntB+1];glu:=0; if nA<0: nA:=-nA; glu_c(adrT); glu_c(cntA+1); fi
+      nA:=lenB[cntB+1]; glu:=0; if nA<0: nA:=-nA; glu_c(adrT); glu_c(cntA+1); fi
       posBe:=sfB(posBs,nA*bond_len+glu,angT);
     fi
     posA[cntA+1]:=posBe; f_term:=0;
@@ -841,7 +830,11 @@ def draw_bond(expr NN,BP,EP,ANG,LN)=
     elseif LN=zf:wz_put(Ls,sfB(Le,ww,ap),sfB(Le,ww,am),nB);
     elseif LN=zb:wz_put(Le,sfB(Ls,ww,am),sfB(Ls,ww,ap),nB);
     elseif LN=dt:for i=0 step .75zebra_gap/length(Le-Ls) until 1: drawdot i[Ls,Le]; endfor
-    elseif LN=wv:draw_wv;
+    elseif LN=wv:nB:=3bond_pen_wd; nA:=nB/length(Le-Ls);
+                  draw Le for i=1 upto 1/nA:
+                    if odd(i): ..controls(((i-.5)*nA)[sfB(Le,nB,ap),sfB(Ls,nB,ap)])
+                    else: ..controls(((i-.5)*nA)[sfB(Le,nB,am),sfB(Ls,nB,am)]) fi
+                          ..(i*nA)[Le,Ls] endfor ..Ls;
     elseif LN=vf:draw pA Cp(nB);draw sfB(Le,bondgap,ANG-150)--Le--sfB(Le,bondgap,ANG+150) Cp(nB);
     elseif LN=vb:draw pA Cp(nB);draw sfB(Ls,bondgap,ANG-30)--Ls--sfB(Ls,bondgap,ANG+30) Cp(nB);
     elseif LN=si_:erase draw 0.15[Ls,Le]--0.85[Ls,Le] wpcs 0.8bondgap; draw pA Cp(nB);
@@ -862,11 +855,6 @@ def draw_bond(expr NN,BP,EP,ANG,LN)=
   fi
   endgroup
 enddef;
-%-------------------------------------------------------------------------------------------------
-def draw_wv=  nB:=3bond_pen_wd; nA:=nB/length(Le-Ls);
-  draw Le for i=1 upto 1/nA: if odd(i): ..controls(((i-.5)*nA)[sfB(Le,nB,ap),sfB(Ls,nB,ap)])
-  else: ..controls(((i-.5)*nA)[sfB(Le,nB,am),sfB(Ls,nB,am)]) fi ..(i*nA)[Le,Ls] endfor ..Ls;
-enddef;
 %------------------------------------------------------------------------------------------------
 def wpcs expr n= withpen pencircle scaled n enddef;
 def wpss expr n= withpen pensquare scaled n enddef;
@@ -901,8 +889,7 @@ 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
-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));
 !:=!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;
@@ -1114,30 +1101,18 @@ STa("F"   ,18.9984,   18.99840316273);  STa("{Fe}",55.845,    55.93493633);
 STa("{Hg}",200.59,   201.97064340);     STa("I"   ,126.90447,126.9044719);
 STa("K"   ,39.0983,   38.9637064864);   STa("{Li}",6.941,      7.0160034366);
 STa("{Mg}",24.305,    23.985041697);    STa("{Mn}",54.938044, 54.93804391);
-STa("N"   ,14.0067,   14.00307400443); STa("{Na}",22.98977,   22.9897692820);
-STa("{Ni}",58.693,    57.93534241);    STa("O"   ,15.9994,    15.99491461957);
-STa("P"   ,30.973762, 30.97376199842); STa("S"   ,32.065,     31.9720711744);
-STa("{Se}",78.971,    79.9165218);     STa("{Si}",28.0855,    27.97692653465);
+STa("N"   ,14.0067,   14.00307400443);  STa("{Na}",22.98977,  22.9897692820);
+STa("{Ni}",58.693,    57.93534241);     STa("O"   ,15.9994,   15.99491461957);
+STa("P"   ,30.973762, 30.97376199842);  STa("S"   ,32.065,    31.9720711744);
+STa("{Se}",78.971,    79.9165218);      STa("{Si}",28.0855,   27.97692653465);
 STa("{Sn}",118.71,   119.90220163);     STa("{Ti}",47.867,    47.94794198);
 STa("{Zn}",65.409,    63.92914201);
 %--------------------------------------------------------------------------------------------------
 STb("{H_2_}")("H","H"); STb("OH")("O","H"); STb("O{Na}")("O","{Na}"); STb("CN")("C","N");
 STb("SH")("S","H"); STb("CHO")("C","H","O");  STb("N{O_2_}")("N","O","O");
-STb("N{H_2_}")("N","H","H");
-STb("S{O_3_}")("S","O","O","O"); STb("COOH")("C","O","O","H");
+STb("N{H_2_}")("N","H","H"); STb("S{O_3_}")("S","O","O","O"); STb("COOH")("C","O","O","H");
 STb("C{H_3_}")("C","H","H","H"); STb("C{F_3_}")("C","F","F","F");
 %==================================================================================================
-def proc_get_info=
-  for j=1 upto inf_num:
-    nA:=0; for i=0 upto length(info[j]): if pic_c(i,info[j])=":": nA:=i; fi exitif nA>0; endfor
-    if nA>0:
-      s_tag:=substring (0,nA) of info[j];
-      s_var:=substring (nA+1,length(info[j])) of info[j];
-      if known scantokens("inf_"&s_tag): scantokens("inf_"&s_tag):=s_var; fi
-    fi
-  endfor
-enddef;
-%==================================================================================================
 def proc_calc_out=
   begingroup
   save warning_cnt,cal_MW,MWp,knownA,cal_FM,bondC,tmp_wtp,bond_cnt,cnt_hide_H,
@@ -1148,7 +1123,14 @@ def proc_calc_out=
   inf_NO:=inf_EN:=inf_JN:=inf_FM:=inf_CAS:=inf_USE:=inf_EXA:=inf_EXB:=inf_MW:="";
   cal_MW:=cal_MW_str:=cal_FM:=""; cnt_hide_H:=warning_cnt:=MW_num:=MI_num:=MWp:=0;
   %------------------------------------------------------------------------------------------
-  proc_get_info;
+  for j=1 upto inf_num:
+    nA:=0; for i=0 upto length(info[j]): if pic_c(i,info[j])=":": nA:=i; fi exitif nA>0; endfor
+    if nA>0:
+      s_tag:=substring (0,nA) of info[j];
+      s_var:=substring (nA+1,length(info[j])) of info[j];
+      if known scantokens("inf_"&s_tag): scantokens("inf_"&s_tag):=s_var; fi
+    fi
+  endfor
   for i=1 upto tbl_cnt: sumA[i]:=0; endfor
   for i=1 upto cntA:
     knownA:=bond_cnt:=0;