mcf2graph (22jan22)

git-svn-id: svn://tug.org/texlive/trunk@61695 c570f23f-e606-0410-a88d-b1316a301751

11 files changed, 88 insertions, 101 deletions

diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
index 21454bf0728..e7f8ff63c82 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
@@ -1,6 +1,9 @@
 *******************************************************************************
- Changelog of mcf2graph software package          by Akira Yamaji 2022-01-17
+ Changelog of mcf2graph software package          by Akira Yamaji 2022-01-22
 *******************************************************************************
+[ver. 4.79  / 2022-01-22]
+  -fix bug in numbering atom,bond
+
 [ver. 4.78  / 2022-01-17]
   -from this version use MetaPost only
   -change file name
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README
index 51cbf86411d..32076c3ab16 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 MetaPost
  Author     : Akira Yamaji
- version    : 4.78 2022-01-17
+ version    : 4.79 2022-01-22
  E-mail     : mcf2graph@gmail.com
  Located at : http://www.ctan.org/pkg/mcf2graph
 ********************************************************************************
@@ -24,7 +24,7 @@
                             make files 'mcf_man_soc-***.mps' before typeset
                               >mpost mcf_man_soc.mf
  ( 7) mcf_man_soc.mp      Molecular definition file for mcf_manual.tex
- ( 8) mcf_manual.pdf      PDF of (6) (used pdftex(LaTeX),makeindex)
+ ( 8) mcf_manual.pdf      PDF of (6) (typeset with pdftex(LaTeX),makeindex)
  ( 9) mcf_example.tex     MCF example
  (10) mcf_example.pdf     PDF of (9) typeset with LuaTeX(LuaLaTeX)
  (11) mcf_mplib_exa.tex   luamplib(LuaLaTeX) example
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp b/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp
index 107606aae45..0ddf0b3c224 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp
@@ -1,5 +1,5 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 4.78    Copyright (c) 2013-2022   Akira Yamaji
+% mcf2graph ver 4.79    Copyright (c) 2013-2022   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,
@@ -35,7 +35,7 @@
 % Set output report                                     : mpost -s ahlength=7     FILENAME
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 tracingstats:=1;
-message "* This is mcf2graph ver 4.78  2022.01.16";
+message "* This is mcf2graph ver 4.79  2022.01.22";
 %-------------------------------------------------------------------------------------------------
 newinternal cntA,cntB,cntM,minX,minY,maxX,maxY,sftX,sftY,com,par,envT,envB,lenT,lineT,angT,rotT,
             crR,nA,nB,nC,nD,nE,nF,nS,nL,nR,nU,nP,xpos,ypos,markA,markB,saveA,saveB,bondL;
@@ -56,8 +56,7 @@ sw_abbreviate:=sw_numbering:=sw_output:=0; numbering_start:=1; numbering_end:=40
 aux_max:=max_inf_num:=20; aux_delimiter:=";"; blank_str:= "                    "; dum:=(-4091,0);
 for i=1 upto aux_max: tag[i]:=""; endfor
 Fig:=1; Mcode:=2; Calc:=4; Info:=8; Table:=16; Report:=32; MOL2k:=64; MOL3k:=128;
-Atom:=8; Bond:=16; Brock:=32; Inverse:=64; Group:=32; Mol:=64;
-Outside:=1; Inside:=2; Bothside:=Outside+Inside;
+Atom:=8; Bond:=16; Group:=32; Mol:=64; Outside:=1; Inside:=2; Bothside:=Outside+Inside;
 %-------------------------------------------------------------------------------------------------
 a_prn_s:=ASCII("("); a_prn_e:=ASCII(")"); a_brc_s:=ASCII("{"); a_brc_e:=ASCII("}");
 a_brk_s:=ASCII("["); a_brk_e:=ASCII("]"); a_cmm:=ASCII(",");   a_equ:=ASCII("=");
@@ -816,11 +815,10 @@ enddef;
 def MC(text TXT)=
   begingroup
   save f_bra,strAT,cnt_group,temp_lenE,temp_lenF,temp_cntB,f_term,f_at,f_lineT,f_rotT,
-       f_lenT,f_envT,temp_c,factor,m_wd,m_ht,temp_p,defaultsize,defaultscale;
+       f_lenT,f_envT,temp_c,factor,m_wd,m_ht,temp_p,nH,nW;
   string temp_c;
   pair temp_p;
   %-----------------------------------------------------------------------------------------------
-  if sw_numbering>=1: ratio_atom_bond:=0.20; fi
   if (sw_expand=1)or(scan_bit(sw_output,MOL2k))or(scan_bit(sw_output,MOL3k)):
     expand_set; crR:=1; else: crR:=-ratio_chain_ring;
   fi
@@ -836,7 +834,7 @@ def MC(text TXT)=
   if (cnt_group>0)and(not scan_bit(sw_abbreviate,Group)): read_group(0)(1); fi
   char_use_check;
   %-scaling---------------------------------------------------------------------------------------
-  if     blength>1: blen:=blength;         proc_size_setup; proc_skeleton(0); proc_scaling;
+  if     blength>1: blen:=blength;        proc_size_setup; proc_skeleton(0); proc_scaling;
   elseif blength>0: blen:=fig_wd*blength; proc_size_setup; proc_skeleton(0); proc_scaling;
   else:
     blen:=3mm;
@@ -890,15 +888,12 @@ def MC(text TXT)=
     if scan_bit(sw_numbering,Atom):
       for i=1 upto cntA:
         if (i>=numbering_start)and(i<=numbering_end):
-          if     scan_bit(sw_numbering,Brock): nA:=i-numbering_start+1;
-          elseif scan_bit(sw_numbering,Inverse):
-            nA:=iif(numbering_end<cntA,numbering_end-i+1,cntA-i+1);
-          else: nA:=i;
-          fi
-          erase fill unitsquare xscaled (.8atom_wd*length(decimal(nA)))
-              yscaled atom_wd shifted (posA[i]-(.5atom_wd,.5atom_wd));
-          defaultsize:=.6atom_wd; defaultscale:=.6;
-          puts(posA[i]-(.5atom_wd,.5atom_wd))(decimal(nA));
+          defaultscale:=.18blen/defaultsize;
+          nH:=1.2defaultsize*defaultscale;
+          if i<=9: nW:=nH; ef i<=99: nW:=1.3nH; else: nW:=1.9nH; fi
+          erase fill unitsquare xscaled nW yscaled nH shifted (posA[i]-(nW/2,nH/2));
+          draw unitsquare xscaled nW yscaled nH shifted (posA[i]-(nW/2,nH/2)) wpcs 0.1;
+          label(decimal(i),posA[i]);
         fi
       endfor
     fi
@@ -906,15 +901,13 @@ def MC(text TXT)=
     if scan_bit(sw_numbering,Bond):
       for i=1 upto cntB:
         if (i>=numbering_start)and(i<=numbering_end):
-          if     scan_bit(sw_numbering,Brock): nB:=i-numbering_start+1;
-          elseif scan_bit(sw_numbering,Inverse):
-            nB:=iif(numbering_end<cntB,numbering_end-i+1,cntB-i+1);
-          else: nB:=i;
-          fi
-          erase fill unitsquare yscaled atom_wd xscaled (.8atom_wd*length(decimal(nB)))
-              shifted (.5[posA[sB[i]],posA[eB[i]]]-(.5atom_wd,.5atom_wd));
-          defaultsize:=.6atom_wd; defaultscale:=.6;
-          puts(0.5[posA[sB[i]],posA[eB[i]]]-(.5atom_wd,.5atom_wd))(decimal(nB));
+          defaultscale:=.18blen/defaultsize;
+          nH:=1.2defaultsize*defaultscale;
+          if i<=9: nW:=nH; ef i<=99: nW:=1.3nH; else: nW:=1.9nH; fi
+          nH:=defaultsize*defaultscale; temp_p:=.5[posA[sB[i]],posA[eB[i]]];
+          erase fill unitsquare xscaled nW yscaled nH shifted (temp_p-(nW/2,nH/2));
+          draw unitsquare xscaled nW yscaled nH shifted (temp_p-(nW/2,nH/2)) wpcs 0.1;
+          label(decimal(i),temp_p);
         fi
       endfor
     fi
@@ -1222,7 +1215,7 @@ def draw_atom(expr NUM)=
           if dir_str=-1: pos_a:=pos_a-(f_wd,0); fi
           draw_char(temp_c,pos_a+pos_c,atom_wd,bond_pen_wd*ratio_char_bond,NUM);
           if scan_bit(sw_frame,Atom): draw_frame(pos_a+pos_c,f_wd,atom_wd,thickness_frame); fi
-          if dir_str=1:  pos_a:=pos_a+(f_wd,0); fi
+          if dir_str=1: pos_a:=pos_a+(f_wd,0); fi
         else:
           atom_picture:=temp_c infont atomfont;
           f_wd:=(xpart(lrcorner atom_picture)-xpart(llcorner atom_picture))*r_ff;
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp
index 9465d835bca..27e479c840a 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp
@@ -1,12 +1,10 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format                      by Akira Yamaji  2022.01.17
+% Molecular Coding Format                      by Akira Yamaji  2022.01.22
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mp;   %%% it must be version 4.78
-message "* mcf_exa_soc 2022.01.17";
+input mcf2graph;   %%% it must be version 4.79
+message "* mcf_exa_soc 2022.01.22";
 message "";
 %------------------------------------------------------------------------------
-fsize:=(35mm,24mm);
-max_blength:=4mm;
 %%%%sw_frame:=Outside;
 %%%%sw_numbering:=Bond;
 %%%%sw_numbering:=Atom;
@@ -24,6 +22,9 @@ tag1:="J"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW";
 %%%%query("Cat=biological","MW<150.0","s:EN");
 %%%%query("MW>=150","MW<=250","s:MW");
 %******************************************************************************
+fsize:=(35mm,24mm);
+max_blength:=4mm;
+%------------------------------------------------------------------------------
 %%%%  beginfigm("t:EN","v:Caffeine")          % select EN=Caffeine
 forever:
 %%%%  beginfigm("f:mcf_data_base","v+:*")     % 'mcf_data_base.mcf'(default)
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
index 15186cb82e8..eda1e4dc70a 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_example.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
index c07aa1aa1cf..cb1a429f1be 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
@@ -1,7 +1,7 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF   Typeset with LuaLaTeX(luamplib)   by A.Yamaji   2022.01.17
+% Example of MCF   Typeset with LuaLaTeX(luamplib)   by A.Yamaji   2022.01.22
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ** mcf2graph.mf must be version 4.78
+% ** mcf2graph.mf must be version 4.79
 % ** use mcf_data_base.mcf
 % ** typeset by LuaLaTeX(luamplib)
 \documentclass{article}
@@ -18,7 +18,7 @@
   fsize:=(35mm,24mm);
   max_blength:=4mm;
   defaultfont:="uhvr8r";
-  defaultsize:=8bp;
+  defaultsize:=8;
   defaultscale:=1;
 }%
 %-------------------------------------------------------------------------
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mp b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mp
index 535df597fc8..5c53bc8fb4f 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mp
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mp
@@ -1,9 +1,9 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format file for mcf_manual.tex  by Akira.Yamaji 2022.01.17
+% Molecular Coding Format file for mcf_manual.tex  by Akira.Yamaji 2022.01.22
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mp;   %% it must be version 4.78
+input mcf2graph;   %% it must be version 4.79
 % ** use data base file 'mcf_data_base.mcf'
-message "mcf_man_soc 2022.01.17"; message "";
+message "mcf_man_soc 2022.01.22"; message "";
 %------------------------------------------------------------------------
 sw_mframe:=0;
 sw_expand:=0;
@@ -397,7 +397,7 @@ beginfigm("EN:change atom relative adress")
   fsize:=(70mm,14mm);
   fmargin:=(3mm,1.5mm);
   MCat(0,.5)(?6,@4,\,?6,-2:N)
-  sw_numbering:=Atom+Inverse;
+  sw_numbering:=Atom;
   msize:=(1,.88);
   MCat(1,.5)(?6,@4,\,?6)
 endfigm
@@ -965,21 +965,17 @@ beginfigm("EN:ratio_hashgap_bond")
 endfigm
 %***********************************************************************
 beginfigm("EN:Switwch numbering atom")
-  fsize:=(60mm,20mm);
+  fsize:=(60mm,10mm);
   ratio_chain_ring:=1;
   numbering_start:=3; numbering_end:=8;
-  sw_numbering:=Atom;         MCat(.5,.9)(<-30,!9)
-  sw_numbering:=Atom+Brock;   MCat(.5,.5)(<-30,!9)
-  sw_numbering:=Atom+Inverse; MCat(.5,.1)(<-30,!9)
+  sw_numbering:=Atom; MC(<-30,!9)
 endfigm
 %***********************************************************************
 beginfigm("EN:Switwch numbering bond")
-  fsize:=(60mm,20mm);
+  fsize:=(60mm,10mm);
   ratio_chain_ring:=1;
   numbering_start:=3; numbering_end:=8;
-  sw_numbering:=Bond;         MCat(.5,.9)(<-30,!9)
-  sw_numbering:=Bond+Brock;   MCat(.5,.5)(<-30,!9)
-  sw_numbering:=Bond+Inverse; MCat(.5,.1)(<-30,!9)
+  sw_numbering:=Bond; MC(<-30,!9)
 endfigm
 %***********************************************************************
 beginfigm("EN:Switwch trimming")
@@ -1090,7 +1086,7 @@ beginfigm("EN:MC() ")
 endfigm
 %-----------------------------------------------------------------------
 beginfigm("EN:MCat()")
-  defaultsize:=5bp;
+  defaultscale:=0.6;
   fsize:=(60mm,40mm);
   fmargin:=(3mm,3mm);
   blength:=0.07;
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
index ace4ec61709..9ed8f10d2b6 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 426fcd12d90..b7e40578547 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 2022.01.16
+%  Molecular Coding Format manual                by  Akira Yamaji 2022.01.22
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \documentclass[a4paper]{article}
 \usepackage[pdftex]{graphicx}
@@ -596,7 +596,7 @@ attached bond length
 \end{verbatim}
 \MCFgraph
 %-----------------------------------------------------------------------------
-\subsubsection{Multi rotate angle}
+\subsubsection{Multiple rotate angle}
 \begin{verbatim}
 >'(90,-90,...) : rotate 90,-90,...
 
@@ -892,39 +892,33 @@ default:  ratio_hashgap_bond=0.12
 \subsubsection{Numbering atom}
 \index{sw\_numbering}%
 \index{Atom}%
-\index{Brock}%
-\index{Inverse}%
 \index{numbering\_start}%
 \index{numbering\_end}%
 \begin{verbatim}
 sw_numbering=Atom
-numbering_start:=3; numbering_end:=8;
-default: sw_numbering=0 :
+numbering_start:=3;
+numbering_end:=8;
+default: sw_numbering=0
+
+sw_numbering:=Atom;
+MC(<-30,!9)
 \end{verbatim}
 \MCFgraph
-\begin{picture}(5,20)
-\put(0,14){\makebox[9mm]{\tt Atom}}
-\put(0, 8){\makebox[12mm]{\tt +Brock}}
-\put(0, 2){\makebox[16mm]{\tt +Inverse}}
-\end{picture}
 %-----------------------------------------------------------------------------
 \subsubsection{Numbering bond}
 \index{numbering\_start}%
 \index{numbering\_end}%
 \index{Bond}%
-\index{Brock}%
-\index{Inverse}%
 \begin{verbatim}
 sw_numbering=Bond
-numbering_start:=3; numbering_end:=8;
-default: sw_numbering=0 :
+numbering_start:=3;
+numbering_end:=8;
+default: sw_numbering=0
+
+sw_numbering:=Bond;
+MC(<-30,!9)
 \end{verbatim}
 \MCFgraph
-\begin{picture}(5,20)
-\put(0,14){\makebox[9mm]{\tt Bond}}
-\put(0, 8){\makebox[12mm]{\tt +Brock}}
-\put(0, 2){\makebox[16mm]{\tt +Inverse}}
-\end{picture}
 %-----------------------------------------------------------------------------
 \subsubsection{Trimming mode}
 \index{sw\_trimming}%
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 9b273954bb1..3e5dcc6e0a6 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 60ec165ac8a..8033148e4cb 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    2022.01.17
+% Example of  MCF typest with LuaLaTeX(luamplib)    by A.Yamaji    2022.01.22
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ** mcf2graph.mp must be version 4.78
+% ** mcf2graph.mp must be version 4.79
 % ** use mcf_data_base.mcf
 \documentclass{article}
 %------------------------------------------------------------------------------
@@ -18,7 +18,7 @@
   sw_output:=Fig+Calc;
   tag1:="J"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW";
   max_blength:=4.5mm;
-  defaultsize:=8bp;
+  defaultsize:=8;
   defaultscale:=1;
 }%
 %------------------------------------------------------------------------------
@@ -93,8 +93,9 @@ beginfigm("EN:Paclitaxel","MW:853.918",
   ": @1,\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph,                ",
   ": @7,\*,O,-45,//O,60,Ph,11:*/OCO!>rl,12:/*OCO!^-15>lr              ")
   %---------------------------------------------------------------------
-  fsize:=(120mm,30mm);
-  if check(mc)=0: MC(scantokens(mc)) fi
+  fsize:=(140mm,30mm); if check(mc)=0: MCat(0,0.5)(scantokens(mc)) fi
+  sw_numbering:=Atom;  if check(mc)=0: MCat(0.6,0.5)(scantokens(mc)) fi
+  sw_numbering:=Bond;  if check(mc)=0: MCat(1,0.5)(scantokens(mc)) fi
 endfigm
 \end{verbatim}
 %----------------------------------------------------------------------------
@@ -106,12 +107,9 @@ beginfigm("EN:Paclitaxel","MW:853.918",
   ": @1,\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph,                ",
   ": @7,\*,O,-45,//O,60,Ph,11:*/OCO!>rl,12:/*OCO!^-15>lr              ")
   %---------------------------------------------------------------------
-  fsize:=(120mm,30mm);
-  if check(mc)=0: MC(scantokens(mc)) fi
-  ext(defaultscale:=0.8;
-      label.lrt("fm: "&cal_FM,(0,h-5mm));
-      label.lrt("mw: "&cal_MW,(0,h-9mm));
-      label.lrt("MW: "&inf_MW,(0,h-13mm));)
+  fsize:=(140mm,30mm); if check(mc)=0: MCat(0,0.5)(scantokens(mc)) fi
+  sw_numbering:=Atom;  if check(mc)=0: MCat(0.6,0.5)(scantokens(mc)) fi
+  sw_numbering:=Bond;  if check(mc)=0: MCat(1,0.5)(scantokens(mc)) fi
 endfigm
 \end{mplibcode}
 %----------------------------------------------------------------------------
@@ -123,19 +121,29 @@ endfigm
 beginfigm("f:mcf_data_base.mcf","t:EN","v:Chlorophyll a","NO:-")
   sw_output:=Fig+Calc+Mcode;                 %%%% output temp-mc.aux %%%%
   fsize:=(100mm,30mm);
-  if check(mc)=0: MC(scantokens(mc)) fi
+  if check(mc)=0:
+    MC(scantokens(mc))
+    VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}");
+    VerbatimTeX("\gdef\mw{"&cal_MW&"}\gdef\fm{"&cal_FM&"}");
+  fi
 endfigm
 \end{mplibcode}
-\verbatiminput{temp-mc.aux}                  %%%% input temp-mc.aux %%%%
+\verbatiminput{temp-mc.aux}            %%%% input temp-mc.aux %%%%
+{\tt ** EN:\EN \quad mw:\MW \quad MW:\mw \quad fm:\fm}%
 \end{verbatim}
 %------------------------------------------------------------------------------------
 \begin{mplibcode}
 beginfigm("f:mcf_data_base.mcf","t:EN","v:Chlorophyll a","NO:-")
   sw_output:=Fig+Calc+Mcode; fsize:=(100mm,30mm);
-  if check(mc)=0: MC(scantokens(mc)) fi
+  if check(mc)=0:
+    MC(scantokens(mc))
+    VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}");
+    VerbatimTeX("\gdef\mw{"&cal_MW&"}\gdef\fm{"&cal_FM&"}");
+  fi
 endfigm
 \end{mplibcode}
-\verbatiminput{temp-mc.aux}   %%%% input temp-mc.aux %%%%
+\verbatiminput{temp-mc.aux}            %%%% input temp-mc.aux %%%%
+{\tt ** EN:\EN \quad mw:\MW \quad MW:\mw \quad fm:\fm}%
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \subsection{Dinophysistoxin-1}
 \noindent%
@@ -146,10 +154,8 @@ beginfigm("t:EN","v:Okadaic acid","EN:Dinophysistoxin-1",
   sw_output:=Fig+Calc+Mcode;           %%%% output temp-mc.aux %%%%
   fsize:=(120mm,20mm);
   if check(mc)=0: MC(scantokens(mc))
-    VerbatimTeX("\gdef\EN{"&inf_EN&"}");
-    VerbatimTeX("\gdef\MW{"&inf_MW&"}");
-    VerbatimTeX("\gdef\mw{"&cal_MW&"}");
-    VerbatimTeX("\gdef\fm{"&cal_FM&"}");
+    VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}");
+    VerbatimTeX("\gdef\mw{"&cal_MW&"}\gdef\fm{"&cal_FM&"}");
   fi
 endfigm;
 \end{mplibcode}
@@ -163,10 +169,8 @@ beginfigm("t:EN","v:Okadaic acid","EN:Dinophysistoxin-1",
   sw_output:=Fig+Calc+Mcode;           %%%% output temp-mc.aux %%%%
   fsize:=(120mm,20mm);
   if check(mc)=0: MC(scantokens(mc))
-    VerbatimTeX("\gdef\EN{"&inf_EN&"}");
-    VerbatimTeX("\gdef\MW{"&inf_MW&"}");
-    VerbatimTeX("\gdef\mw{"&cal_MW&"}");
-    VerbatimTeX("\gdef\fm{"&cal_FM&"}");
+    VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}");
+    VerbatimTeX("\gdef\mw{"&cal_MW&"}\gdef\fm{"&cal_FM&"}");
   fi
 endfigm;
 \end{mplibcode}
@@ -186,10 +190,8 @@ endfigm;
     sw_output:=Fig+Calc+Mcode;         %%%% output temp-mc.aux %%%%
     fsize:=(120mm,60mm); fmargin:=(0,3mm); sw_frame:=Outside;
     if check(mc)=0: MC(scantokens(mc))
-      VerbatimTeX("\gdef\EN{"&inf_EN&"}");
-      VerbatimTeX("\gdef\MW{"&inf_MW&"}");
-      VerbatimTeX("\gdef\mw{"&cal_MW&"}");
-      VerbatimTeX("\gdef\fm{"&cal_FM&"}");
+      VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}");
+      VerbatimTeX("\gdef\mw{"&cal_MW&"}\gdef\fm{"&cal_FM&"}");
     fi
   endfigm
 \end{mplibcode}
@@ -203,10 +205,8 @@ endfigm;
     sw_output:=Fig+Calc+Mcode;
     fsize:=(120mm,60mm); fmargin:=(0,3mm); sw_frame:=Outside;
     if check(mc)=0: MC(scantokens(mc))
-      VerbatimTeX("\gdef\EN{"&inf_EN&"}");
-      VerbatimTeX("\gdef\MW{"&inf_MW&"}");
-      VerbatimTeX("\gdef\mw{"&cal_MW&"}");
-      VerbatimTeX("\gdef\fm{"&cal_FM&"}");
+      VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}");
+      VerbatimTeX("\gdef\mw{"&cal_MW&"}\gdef\fm{"&cal_FM&"}");
     fi
   endfigm
 \end{mplibcode}