mcf2graph (11may19)

git-svn-id: svn://tug.org/texlive/trunk@51090 c570f23f-e606-0410-a88d-b1316a301751
author: Karl Berry <karl@freefriends.org> 2019-05-11 21:31:07 +0000
committer: Karl Berry <karl@freefriends.org> 2019-05-11 21:31:07 +0000
commit: 1f17918f6a9af739d984a5ea165dcbbe1c78f0b6 (patch)
tree: 4baeaba1cf508a57e730777a94a8f0af073187f4 /Master/texmf-dist
parent: 91fbd846a19a9fa95dc49d749ff382dee0610e4a (diff)
12 files changed, 373 insertions, 515 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
index 8df1b8c52cb..74ba391dbda 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
@@ -1,6 +1,13 @@
 *******************************************************************************
- Changelog of mcf2graph software package          by Akira Yamaji 2019-03-21
+ Changelog of mcf2graph software package          by Akira Yamaji 2019-05-11
 *******************************************************************************
+[ver. 4.41  / 2019-05-11]
+  -change syntax
+     |<=,=>|  =>  |=,=|
+     ext() => add()
+     EXT() => ext()
+  -update MCF manual
+
 [ver. 4.40  / 2019-03-21]
   -add function MC()
   -change function name MCa() => MCat()
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README
index 9297f9ef02b..3cd62eb060f 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    : 4.40 2019-03-21
+ version    : 4.41 2019-05-11
  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 d18c965ff88..c225b302cc2 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  2019.03.10
+% Molecular Coding Format for mcf_example.tex   by Akira Yamaji  2019.05.11
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf;   %%% it must be version 4.40 or later
+input mcf2graph.mf;   %%% it must be version 4.41 or later
 %-------------------------------------------------------------------------
 fsize:=(33mm,24mm);
 max_blength:=4.5mm;
@@ -27,6 +27,8 @@ var4:="cal_MW";  tag4:="cMW";
 %%%% sw_rep_out:=1;
 %%%% sw_mol_out:=1;
 %%%% outputformat:="png"; hppp:=vppp:=0.1; outputtemplate:="%j-%3c.png";
+%---------------------------------------------------------------------------
+%ext(defaultscale:=.5; label.bot(decimal(char_num)&":"&inf_EN,(.5w,0));)
 %***************************************************************************
 beginfont("EN:Acetamiprid","MW:222.676","FM:C10H11ClN4")
   MC(<30,Ph,2:N,1:/Cl,4:\,!,N,/_,!,/_,!!,N,!,CN)
@@ -67,7 +69,8 @@ endfont
 %***************************************************************************
 beginfont("EN:Isoprothiolane","MW:290.392")
   MC(<30,!,/_,!,O,!,//O,|,!2,//O,!,O,!,/_,!,2:\\,|,?5,{2,5}:S)
-endfont%***************************************************************************
+endfont
+%***************************************************************************
 beginfont("EN:Etridiazole","MW:247.518")
   MC(<18,?5,{1,3}=dl,{2,4}:N,5:S,1:/O!2,3:/CCl3)
 endfont
@@ -177,9 +180,9 @@ endfont
 beginfont("EN:Rifampicin","MW:822.94")
   MC(<30,Ph,6:/_^30,5:/OH,|,-6=?5,1:O,3://O,2:/*_^60,
       |,-8=?6,{2,4}=dl,{1,4}:/OH,
-      |<=1,-2:\,NH,60,//O,-60,/_,60~dl,60,60~dl,-60,
+      |=1,-2:\,NH,60,//O,-60,/_,60~dl,60,60~dl,-60,
       */_,60,/*OH,-60,/*_,60,/*OH,60,*/_^30,-60,
-      60,/*_^30,-53,66,-53~dl,66`1.2,O,>|,$8:#,
+      60,/*_^30,-53,66,-53~dl,66`1.2,O,=|,$8:#,
       -4:/*O!,-6:@,-30,O,!,//O,!,$11:\,!!,N,!,|,?6,{1,4}:N,4:/_)
 endfont
 %***************************************************************************
@@ -211,12 +214,13 @@ beginfont("EN:Luciferin","MW:280.33")
 endfont
 %***************************************************************************
 beginfont("EN:Chlorophyll a","MW:893.509")
-MC(<54,|<=1,?5,{2,5}=dl,4:N,3:\,54~dl,|,?5,{2,4}=dl,5:N,
+MC(<54,|=1,?5,{2,5}=dl,4:N,3:\,54~dl,|,?5,{2,4}=dl,5:N,
    -2:\,54~dl,|,?5,2=d,5:N,-2:\~dl,54,|,?5,5=d,5:N,-2:\~dl,$5:#,
-   -1:@,24,/*COO!^15,72,//O,$1:#,>|,
+   -1:@,24,/*COO!^15,72,//O,$1:#,=|,||,
    {2,9,15,20~zf}:/_,8:/!,14:\,!!,
-   $4:\`1.45,Mg,17:#,-1:@,11~vb:#,-1:@,23~vb:#,
-   $21:@,-6~wf,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_)
+   4:\`1.45,Mg,17:#,-1:@,11~vb:#,-1:@,23~vb:#,
+   21:@,-6~wf,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_
+  )
 endfont
 %**************************************************************************
 beginfont("EN:Gibberellin A3","MW:346.379");
@@ -237,8 +241,8 @@ beginfont("EN:Lycorine","MW:287.315")
 endfont
 %**************************************************************************
 beginfont("EN:Tetrodotoxine","MW:319.27")
-  MC(|<=1,<60,-90,60,-30`1.15,150,60,$1:#,$3:@,-135,60,-30`1.15,150,$4:#,
-     $10:\,O,60`1.33,60,$3~si_:#,$8:@,-15~si_,O,$12:#,>|,
+  MC(|=1,<60,-90,60,-30`1.15,150,60,$1:#,$3:@,-135,60,-30`1.15,150,$4:#,
+     $10:\,O,60`1.33,60,$3~si_:#,$8:@,-15~si_,O,$12:#,=|,
      $9:@,45,-60,OH,1^120://NH,
      {5~zf^-15,7,9^-75,12,13~zf}:/OH,{2,6^180}:NH)
 endfont
@@ -346,7 +350,7 @@ beginfont("EN:Pyrethrin I","MW:328.452");
 endfont;
 %***************************************************************************
 beginfont("EN:Erythromycin","MW:733.937");
-MC(<30,|<=1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,>|,1:#,
+MC(<30,|=1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,=|,1:#,
     14:O,13:/*!,{1,9}://O,{2,10}:*/_,{4,6^-35,8,12^35}:/*_,
     {6^35,11,12^-35}:*/OH,
     $3:\*,O,30,|,?6`.7,2:O,{3,5^35}:/_,4:/OH,5^-35:/O!,
@@ -354,7 +358,7 @@ MC(<30,|<=1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,>|,1:#,
 endfont;
 %**************************************************************************
 beginfont("EN:Paclitaxel","MW:853.918")
-  MC(?6,5=d,3:@,|<=1,36,45,45,45,45,>|,$5:#,-4=?6,-4=?4,||,-1=wb,-3=wf,-1:O,
+  MC(?6,5=d,3:@,|=1,36,45,45,45,45,=|,$5:#,-4=?6,-4=?4,||,-1=wb,-3=wf,-1:O,
     {4^35,4^-35,6}:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O,
     $1:\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph,
     $7:\*,O,-45,//O,60,Ph,$11:*\,O,-60,//O,60,$12:\*^-15,O,60,//O,-60)
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
index 0fc7eccc3e7..ddb0920295e 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 d94488e02ff..8199e247681 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  2019.02.24
+% Example of MCF typeset by LaTeX   mcf_examples.tex   by A.Yamaji  2019.05.11
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \documentclass[a4paper]{article}
 \usepackage{graphicx}
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-064.mps b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-064.mps
index e5ba95a90bd..70e27e77c68 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-064.mps
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-064.mps
@@ -2,12 +2,12 @@
 %%BoundingBox: -1 -1 213 57 
 %%HiResBoundingBox: -0.1 -0.1 212.69804 56.79282 
 %%Creator: MetaPost 2.00
-%%CreationDate: 2019.03.17:0708
+%%CreationDate: 2019.05.11:0740
 %%Pages: 1
 %%DocumentResources: procset mpost-minimal
-%%+ font ICXWUR-CMTT10 ICXWUR-CMR8
+%%+ font JIZCCV-NimbusSanL-Regu IXTKJB-CMR8
 %%DocumentSuppliedResources: procset mpost-minimal
-%%+ font ICXWUR-CMTT10 ICXWUR-CMR8
+%%+ font JIZCCV-NimbusSanL-Regu IXTKJB-CMR8
 %%EndComments
 %%BeginProlog
 %%BeginResource: procset mpost-minimal
@@ -18,37 +18,34 @@
 /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 ICXWUR-CMTT10
-%!PS-AdobeFont-1.0: CMTT10 003.002
-%%Title: CMTT10
-%Version: 003.002
-%%CreationDate: Mon Jul 13 16:17:00 2009
-%%Creator: David M. Jones
-%Copyright: Copyright (c) 1997, 2009 American Mathematical Society
-%Copyright: (<http://www.ams.org>), with Reserved Font Name CMTT10.
-% This Font Software is licensed under the SIL Open Font License, Version 1.1.
-% This license is in the accompanying file OFL.txt, and is also
-% available with a FAQ at: http://scripts.sil.org/OFL.
+%%BeginResource: font JIZCCV-NimbusSanL-Regu
+%!PS-AdobeFont-1.0: NimbusSanL-Regu 1.05a
+%%Title: NimbusSanL-Regu
+%%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
-FontDirectory/ICXWUR-CMTT10 known{/ICXWUR-CMTT10 findfont dup/UniqueID known{dup
-/UniqueID get 5000832 eq exch/FontType get 1 eq and}{pop false}ifelse
+FontDirectory/JIZCCV-NimbusSanL-Regu known{/JIZCCV-NimbusSanL-Regu findfont dup/UniqueID known{dup
+/UniqueID get 5020902 eq exch/FontType get 1 eq and}{pop false}ifelse
 {save true}{false}ifelse}{false}ifelse
 11 dict begin
 /FontType 1 def
 /FontMatrix [0.001 0 0 0.001 0 0 ]readonly def
-/FontName /ICXWUR-CMTT10 def
-/FontBBox {-4 -233 537 696 }readonly def
-/UniqueID 5000832 def
+/FontName /JXDTPR-NimbusSanL-Regu def
+/FontBBox [-174 -285 1001 953 ]readonly def
+/UniqueID 5020902 def
 /PaintType 0 def
 /FontInfo 9 dict dup begin
-/version (003.002) readonly def
-/Notice (Copyright \050c\051 1997, 2009 American Mathematical Society \050<http://www.ams.org>\051, with Reserved Font Name CMTT10.) readonly def
-/FullName (CMTT10) readonly def
-/FamilyName (Computer Modern) readonly def
-/Weight (Medium) readonly def
+/version (1.05a) readonly def
+/Notice (Copyright \050URW\051++,Copyright 1999 by \050URW\051++ Design & Development) readonly def
+/FullName (Nimbus Sans L Regular) readonly def
+/FamilyName (Nimbus Sans L) readonly def
+/Weight (Regular) readonly def
 /ItalicAngle 0 def
-/isFixedPitch true def
-/UnderlinePosition -100 def
+/isFixedPitch false def
+/UnderlinePosition -151 def
 /UnderlineThickness 50 def
 end readonly def
 /Encoding 256 array
@@ -65,272 +62,106 @@ dup 119 /w put
 readonly def
 currentdict end
 currentfile eexec
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 0000000000000000000000000000000000000000000000000000000000000000
 0000000000000000000000000000000000000000000000000000000000000000
 0000000000000000000000000000000000000000000000000000000000000000
@@ -342,7 +173,7 @@ ADA2FC459E03F335D5EFAD31ACE3CC0D4ADFB7A9B2BDA5CAEE324E748B65
 cleartomark
 {restore}if
 %%EndResource
-%%BeginResource: font ICXWUR-CMR8
+%%BeginResource: font IXTKJB-CMR8
 %!PS-AdobeFont-1.0: CMR8 003.002
 %%Title: CMR8
 %Version: 003.002
@@ -354,7 +185,7 @@ cleartomark
 % This license is in the accompanying file OFL.txt, and is also
 % available with a FAQ at: http://scripts.sil.org/OFL.
 %%EndComments
-FontDirectory/ICXWUR-CMR8 known{/ICXWUR-CMR8 findfont dup/UniqueID known{dup
+FontDirectory/IXTKJB-CMR8 known{/IXTKJB-CMR8 findfont dup/UniqueID known{dup
 /UniqueID get 5000791 eq exch/FontType get 1 eq and}{pop false}ifelse
 {save true}{false}ifelse}{false}ifelse
 11 dict begin
@@ -600,7 +431,7 @@ cleartomark
 %%EndResource
 %%EndProlog
 %%BeginSetup
- /cmtt10 /ICXWUR-CMTT10 def
+ /uhvr8r /JXDTPR-NimbusSanL-Regu def
  /cmr8 /GMTUEE-CMR8 def
 %%EndSetup
 %%Page: 1 1
@@ -702,8 +533,8 @@ newpath 40.45374 39.80562 moveto
  0 0.50114 dtransform truncate idtransform setlinewidth pop
 newpath 75.229 19.72816 moveto
 86.09601 13.45413 lineto stroke
-6.07166 45.71011 moveto
-(\(draw\)) cmtt10 9.96265 fshow
+9.22984 46.03944 moveto
+(\(draw\)) uhvr8r 9.96265 fshow
 150.14568 6.07826 moveto
 (N) cmr8 10.56937 fshow
 150.14568 46.23317 moveto
@@ -738,8 +569,8 @@ newpath 136.30315 39.80562 moveto
  0 0.50114 dtransform truncate idtransform setlinewidth pop
 newpath 171.07841 19.72816 moveto
 181.94542 13.45413 lineto stroke
-101.92107 45.71011 moveto
-(\(cmr8\)) cmtt10 9.96265 fshow
+104.53125 46.03944 moveto
+(\(cmr8\)) uhvr8r 9.96265 fshow
 newpath -0.1 0.1 moveto
 -0.1 -0.1 lineto
 0.1 -0.1 lineto
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 d9fd8811323..f0b051ade6b 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 2019.03.10
+% Molecular Coding Format file for mcf_manual.tex  by Akira.Yamaji 2019.05.11
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf;   %% it must be version 4.40 or later
+input mcf2graph.mf;   %% it must be version 4.41 or later
 %------------------------------------------------------------------------
 sw_mframe:=0;
 sw_expand:=0;
@@ -11,6 +11,8 @@ sw_expand:=0;
 %***********************************************************************
 fsize:=(35mm,25mm);
 blength:=6mm;
+%-------------------------------------------------------------------------
+%ext(defaultscale:=.5; label.bot(decimal(char_num)&":"&inf_EN,(.5w,0));)
 %***********************************************************************
 beginfont("EN:Glycine")
   MC(<30,NH2,!0,!,COOH)
@@ -109,7 +111,7 @@ beginfont("EN:Chain 1")
   MC(<10,-30,45,-45,30,-30,60,
        {1^-75,2^67.5,3^-60,4^75,5^-75,6^60}:/_~dt
      )
-  ext(
+  add(
     defaultscale:=0.5;
     labeloffset:=2bp;
     drawarrow .7[B7s,B7e]{dir(B7dir-90)}..{dir(B1dir-90)}.7[B1s,B1e];
@@ -136,7 +138,7 @@ beginfont("EN:Chain 2")
   MC(<30,!6,
        {1^-60,2^60,3^-60,4^60,5^-60,6^60}:/_~dt
      )
-  ext(
+  add(
     defaultscale:=0.5;
     labeloffset:=2bp;
     drawarrow .7[B7s,B7e]{dir(B7dir-90)}..{dir(B1dir-90)}.7[B1s,B1e];
@@ -226,7 +228,7 @@ beginfont("EN:rotate 1")
     labeloffset:=2bp;
   MC(``1,0,0,<90,0,<-90,0,0,{1,2,3,4,5}=vf,
       {3,4^180}:/_~dt)
-  ext(
+  add(
     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];
@@ -508,10 +510,10 @@ beginfont("EN:Change color,font")
   defaultsize:=10bp;
   fmargin:=(3mm,1mm);
   MCat(0.25,0)(<30,Ph,{2,5}:N,3:/NH2,2:red,5:blue,3=green)
-  ext(label.lft("(draw)",p0+(0,.9h));)
+  add(label.lft("(draw)",p0+(0,.9h));)
   atomfont:="cmr8";
   MCat(1,0)(<30,Ph,{2,5}:N,3:/NH2)
-  ext(label.lft("(cmr8)",p0+(0,.9h));)
+  add(label.lft("(cmr8)",p0+(0,.9h));)
 endfont
 %***********************************************************************
 beginfont("EN:Make brock")
@@ -552,17 +554,17 @@ beginfont("EN:mangle")
   blength:=6mm;
   mangle:=0;
   MCat(0.2,0.5)(Ph)
-  ext(drawarrow((A1 shifted (aw,0)) rotated A1dir..A1);)
+  add(drawarrow((A1 shifted (aw,0)) rotated A1dir..A1);)
   mangle:=30;
   MCat(0.8,0.5)(Ph)
-  ext(drawarrow((A1 shifted (aw,0)) rotated A1dir..A1);)
+  add(drawarrow((A1 shifted (aw,0)) rotated A1dir..A1);)
 endfont
 %***********************************************************************
 beginfont("EN:blength=0")
   sw_fframe:=3;
   fsize:=(40mm,15mm);
   MC(<30,Ph)
-  EXT(pickup pencircle scaled 0.2pt; 
+  ext(pickup pencircle scaled 0.2pt; 
       for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
       for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
       for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor
@@ -575,7 +577,7 @@ beginfont("EN:0<blength=<1")
   fsize:=(40mm,15mm);
   blength:=0.1;
   MC(<30,Ph)
-  EXT(pickup pencircle scaled 0.2pt; 
+  ext(pickup pencircle scaled 0.2pt; 
       for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
       for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
       for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor
@@ -588,7 +590,7 @@ beginfont("EN:blength>1")
   fsize:=(40mm,15mm);
   blength:=8mm;
   MC(<30,Ph)
-  EXT(pickup pencircle scaled 0.2pt; 
+  ext(pickup pencircle scaled 0.2pt; 
       for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
       for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
       for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor
@@ -602,7 +604,7 @@ beginfont("EN:msize=(1)")
   fsize:=(40mm,15mm);
   msize:=(1,1);
   MC(<30,Ph)
-  EXT(pickup pencircle scaled 0.2pt; 
+  ext(pickup pencircle scaled 0.2pt; 
       for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
       for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
       for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor
@@ -616,7 +618,7 @@ beginfont("EN:msize=(0.25,1)")
   fsize:=(40mm,15mm);
   msize:=(0.25,1);
   MC(<30,Ph)
-  EXT(pickup pencircle scaled 0.2pt; 
+  ext(pickup pencircle scaled 0.2pt; 
       for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
       for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
       for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor
@@ -630,7 +632,7 @@ beginfont("EN:msize=(11mm,11mm)")
   fsize:=(40mm,15mm);
   msize:=(11mm,11mm);
   MC(<30,Ph)
-  EXT(pickup pencircle scaled 0.2pt; 
+  ext(pickup pencircle scaled 0.2pt; 
       for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
       for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
       for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor
@@ -662,7 +664,7 @@ beginfont("EN:mposition")
   msize:=(1,0.8);
   mposition:=(10mm,4mm);
   MC(<30,Ph)
-  EXT(drawdot p1 withpen pencircle scaled 3pt;
+  ext(drawdot p1 withpen pencircle scaled 3pt;
       pickup pencircle scaled 0.2pt; 
       for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
       for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
@@ -675,7 +677,7 @@ beginfont("EN:Font size")
   fsize:=(40mm,15mm);
   sw_fframe:=1;
   MC(<30,Ph)
-  EXT(pickup pencircle scaled 0.2pt; 
+  ext(pickup pencircle scaled 0.2pt; 
       for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
       for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
       for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor
@@ -689,7 +691,7 @@ beginfont("EN:fmargin")
   sw_mframe:=1;
   fmargin:=(10mm,3mm);
   MC(<30,Ph)
-  EXT(pickup pencircle scaled 0.2pt; 
+  ext(pickup pencircle scaled 0.2pt; 
       for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
       for i=0 upto h/mm: draw (0,i*mm)--(-.5mm,i*mm); endfor
       for i=0 upto w/cm: draw (i*cm,0)--(i*cm,-.8mm); endfor
@@ -964,7 +966,7 @@ beginfont("EN:MCat()")
   for i=1 step -0.25 until 0:
     for j=0 step 0.25 until 1:
       MCat(j,i)(Ph,4:N)
-      ext(
+      add(
         drawarrow((A1 shifted (aw,0)) rotated A1dir..A1);
         label(decimal(mangle),p0+(0.5w,0.5h));
       )
@@ -973,23 +975,39 @@ beginfont("EN:MCat()")
   endfor
 endfont
 %***********************************************************************
-beginfont("EN:EXT()")
+beginfont("EN:add()")
+  fsize:=(50mm,20mm);
+  msize:=(1,0.7); MCat(0,0.5)(<30,?6,3=dl,4:/CH3)
+  add(
+    label.top("+",A7);
+    drawarrow B3{dir(B3dir-90)}..
+              {dir(B7dir+90)}0.4[B7s,B7e];
+  )
+  msize:=(1,0.7); MCat(1,0.5)(<30,?6,4://CH3)
+  add(
+    labeloffset:=0bp;
+    label.lrt("+",A3);
+  )
+  ext(drawdblarrow (0.4w,0.5h)..(0.55w,0.5h);)
+endfont
+%***********************************************************************
+beginfont("EN:ext()")
   fsize:=(70mm,30mm);
   blength:=0.065;
   sw_label_emu:=1;
   %
   MCat(0.1,0.5)(<-210,60`1,60`1,60`1,{1,3}=dl,1:/R1,4:/R2^-60)
-  ext(
+  add(
    defaultscale:=0.6;
    label.bot("Diene",p0+(0.5w,0));
   )
   MCat(0.4,0.5)(<-30,-60`1,1=dl,1:/R3,2:/R4^60)
-  ext(
+  add(
    defaultscale:=0.6;
    label.bot("Dienophile",p0+(0.5w,0));
   )
   MCat(0.9,0.5)(<30,?6,6=dl,2:/R2,3:/R4,4:/R3,5:/R1)
-  EXT(
+  ext(
     drawarrow (0.52w,0.5h)..(0.6w,0.5h);
     defaultscale:=0.7;
     label("+",(0.25w,0.5h));
@@ -997,22 +1015,6 @@ beginfont("EN:EXT()")
     label.bot("Diels-Alder Reaction",(0.5w,h));
   )
 endfont
-%***********************************************************************
-beginfont("EN:ext()")
-  fsize:=(50mm,20mm);
-  msize:=(1,0.7); MCat(0,0.5)(<30,?6,3=dl,4:/CH3)
-  ext(
-    label.top("+",A7);
-    drawarrow B3{dir(B3dir-90)}..
-              {dir(B7dir+90)}0.4[B7s,B7e];
-  )
-  msize:=(1,0.7); MCat(1,0.5)(<30,?6,4://CH3)
-  ext(
-    labeloffset:=0bp;
-    label.lrt("+",A3);
-  )
-  EXT(drawdblarrow (0.4w,0.5h)..(0.55w,0.5h);)
-endfont
 sw_trimming:=1;
 %***************************************************************************
 beginfont("EN:Acetamiprid","MW:222.676")
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
index 9fd36cb57f6..33067cd995e 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 d6d8bab65b7..d4de4fc7810 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 2019.03.03
+%  Molecular Coding Format manual                by  Akira Yamaji 2019.05.11
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \documentclass[a4paper]{article}
 %%%%\documentclass[a4paper,twoside]{article}
@@ -588,10 +588,10 @@ pk font,PNG,SVG,EPS or MDL MOL file.
   defaultsize:=8bp;
   MCat(0.25,0)(<30,Ph,{2,5}:N,3:/NH2,
          2:red,5:blue,3=green)
-  ext(label.lft("(draw)",p0+(0,0.9h));)
+  add(label.lft("(draw)",p0+(0,0.9h));)
   atomfont:="cmr8";   % default:"draw"
   MCat(1,0)(<30,Ph,{2,5}:N,3:/NH2)
-  ext(label.lft("(cmr8)",p0+(0,0.9h));)
+  add(label.lft("(cmr8)",p0+(0,0.9h));)
 \end{verbatim}
 {\MCFformat=0 \MCFgraph}
 %-----------------------------------------------------------------------------
@@ -1039,7 +1039,7 @@ MCat(1, .5)(<30,Ph,4:/COOH,3:/NH2)
   for i=1 step -0.25 until 0:
     for j=0 step 0.25 until 1:
       MCat(j,i)(Ph,4:N)
-      ext(
+      add(
         drawarrow((A1 shifted (aw,0))
                    rotated A1dir..A1);
         label(decimal(mangle),
@@ -1054,61 +1054,9 @@ MCat(1, .5)(<30,Ph,4:/COOH,3:/NH2)
 \MCFgraph
 %===============================================================================
 \newpage
-\subsection{Function EXT()}
+\subsection{Function add()}
 \begin{verbatim}
-(Add extra graphic to font)
- 
- w:    font width
- h:    font height
- w0:   font width-2xpart(fmargin)
- h0:   font height-2ypart(fmargin)
- aw:   atom font size
- em:   label font size
- p0:   fmargin
- n:    molecular number
- p[m]: molecular origin position
- w[m]: molecular width
- h[m]: molecular height
- ratio_thickness_char:
-   pen thickness / char width
-
-%----------------------------------------
-beginfont()
- fsize:=(70mm,30mm;)
- ratio_bond_width:=0.065;
- sw_solid:=1;
- %---------------------------------------
- MCat(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));)
- %---------------------------------------
- MCat(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));)
- %---------------------------------------
- MCat(0.9,0.5)
-  (<30,?6,6=dl,2:/R2,3:/R4,4:/R3,5:/R1)
- %---------------------------------------
- EXT(
-   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));
- )
- %---------------------------------------
-endfont
-\end{verbatim}
-\MCFgraph
-%-----------------------------------------------------------------------------
-\newpage
-\subsection{Function ext()}
-\begin{verbatim}
-(Add extra graphic to molecule)
+(Add graphic to molecule)
 
  w:       molecular width
  h:       molecular height
@@ -1131,19 +1079,19 @@ beginfont()
  %---------------------------------------
   msize:=(1,0.7);
   MCat(0,0.5)(<30,?6,3=dl,4:/CH3)
-  ext(
+  add(
     label.top("+",A7);
     drawarrow B3{dir(B3dir-90)}..
               {dir(B7dir+90)}0.4[B7s,B7e];
     )
  %---------------------------------------
   MCat(1,0.5)(<30,?6,4://CH3)
-  ext(
+  add(
     labeloffset:=0bp;
     label.lrt("+",A3);
   )
  %---------------------------------------
-  EXT(
+  ext(
     drawdblarrow (0.4w,0.5h)..(0.55w,0.5h);
   )
  %---------------------------------------
@@ -1163,6 +1111,58 @@ drawarrow & drawdblarrow:
 \end{verbatim}
 %-----------------------------------------------------------------------------
 \newpage
+\subsection{Function ext()}
+\begin{verbatim}
+(Extra graphic to font)
+ 
+ w:    font width
+ h:    font height
+ w0:   font width-2xpart(fmargin)
+ h0:   font height-2ypart(fmargin)
+ aw:   atom font size
+ em:   label font size
+ p0:   fmargin
+ n:    molecular number
+ p[m]: molecular origin position
+ w[m]: molecular width
+ h[m]: molecular height
+ ratio_thickness_char:
+   pen thickness / char width
+
+%========================================
+ext(label(inf_EN,(.5w,0));) => all font
+%========================================
+beginfont()
+ fsize:=(70mm,30mm;);  blength:=0.065;
+ %---------------------------------------
+ MCat(0.1,0.5)
+  (<-210,60`1,60`1,60`1,{1,3}=dl,
+   1:/R1,4:/R2^-60)
+   add(defaultscale:=0.6;
+     label.bot("Diene",p0+(0.5w,0));)
+ %---------------------------------------
+ MCat(0.4,0.5)
+  (<-30,-60`1,1=dl,1:/R3,2:/R4^60)
+   add(defaultscale:=0.6;
+     label.bot("Dienophile",p0+(0.5w,0));)
+ %---------------------------------------
+ MCat(0.9,0.5)
+  (<30,?6,6=dl,2:/R2,3:/R4,4:/R3,5:/R1)
+ %---------------------------------------
+ ext(
+   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));
+ )
+ %---------------------------------------
+endfont
+\end{verbatim}
+\MCFgraph
+%-----------------------------------------------------------------------------
+\newpage
 \section{MCF example}
 %-----------------------------------------------------------------------------
 \subsection{Acetamiprid}
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 62d1377278c..d7345f5a1ef 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 9d40f3fbcac..bf4a8e9797e 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    2019.03.17
+% Example of  MCF typest with LuaLaTeX(luamplib)     by A.Yamaji    2019.05.11
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-%%% mcf2graph.mf it must be version 4.40 or later
+%%% mcf2graph.mf it must be version 4.41 or later
 \documentclass{article}
 %------------------------------------------------------------------------------
 \usepackage{luamplib}%
@@ -12,8 +12,7 @@
 \mplibnumbersystem{double}%
 \everymplib{%
   if unknown Ph1: input mcf2graph.mf; fi
-  sw_aux_out:=1;
-  sw_label_emu:=1;
+  sw_calc:=1;
   sw_fframe:=4;
   max_blength:=4.5mm;
   defaultfont:="uhvr8r";
@@ -44,14 +43,14 @@
   beginfont("NO:1","EN:Chlorophyll a","MW:893.49")
     msize:=(.9,.9);
     MCat(0,0.5)(<54,
-     |<=1,?5,{2,5}=dl,4:N,3:\,54~dl,|,?5,{2,4}=dl,5:N,
-     -2:\,54~dl,|,?5,2=dl,5:N,-2:\~dl,54,|,?5,5=dl,5:N,-2:\~dl,$5:#,
-     -1:@,24,/*COO!^15,72,//O,$1:#,>|,
-     4:\`1.45,Mg,17:#,-1:@,11~vb:#,-1:@,23~vb:#,
+    |=1,?5,{2,5}=dl,4:N,3:\,54~dl,|,?5,{2,4}=dl,5:N,
+    -2:\,54~dl,|,?5,2=d,5:N,-2:\~dl,54,|,?5,5=d,5:N,-2:\~dl,$5:#,
+    -1:@,24,/*COO!^15,72,//O,$1:#,=|,||,
      {2,9,15,20~zf}:/_,8:/!,14:\,!!,
-     21:@,-6~wf,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_,
+     4:\`1.45,Mg,17:#,-1:@,11~vb:#,-1:@,23~vb:#,
+     21:@,-6~wf,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_
     )
-    EXT(
+    ext(
       label.lrt("("&inf_EN&")",(0,h));
       defaultscale:=0.8;
       label.lrt("FM(C): "&cal_FM,(0,h-5mm));
@@ -62,15 +61,16 @@
 \end{mplibcode}
 \begin{minipage}[b]{85mm}
 \begin{verbatim}
-|<=1,?5,{2,5}=dl,4:N,3:\,54~dl,
+|=1,?5,{2,5}=dl,4:N,3:\,54~dl,
 |,?5,{2,4}=dl,5:N,
--2:\,54~dl,|,?5,2=dl,5:N,
--2:\~dl,54,|,?5,5=dl,5:N,-2:\~dl,$5:#,
--1:@,24,/*COO!^15,72,//O,$1:#,>|,
-4:\`1.45,Mg,17:#,-1:@,11~vb:#,-1:@,23~vb:#,
-{2,9,15,20~zf}:/_,8:/!,14:\,!!,
-21:@,-6~wf,!2,//O,!,O,!2,!!,
-|,!13,{1,5,9,13}:/_,
+-2:\,54~dl,|,?5,2=d,5:N,-2:\~dl,54,
+|,?5,5=d,5:N,-2:\~dl,$5:#,
+-1:@,24,/*COO!^15,72,//O,$1:#,=|,||,
+ {2,9,15,20~zf}:/_,8:/!,14:\,!!,
+ 4:\`1.45,Mg,17:#,-1:@,11~vb:#,
+ -1:@,23~vb:#,
+ 21:@,-6~wf,!2,//O,!,O,!2,!!,
+|,!13,{1,5,9,13}:/_
 
 \end{verbatim}
 \end{minipage}
@@ -85,7 +85,7 @@ beginfont("EN:beta-Carotene","MW:536.888")
      4:\,|,!18,{1,3,5,7,9,11,13,15,17}=dr,{3,7,12,16}:/_,
      |,?6,6=dl,{6,2^35,2^-35}:/_
   )
-  EXT(
+  ext(
     label.lrt("("&inf_EN&")",(0,h));
     defaultscale:=0.8;
     label.lrt("FM(C): "&cal_FM,(0,h-5mm));
@@ -114,7 +114,7 @@ endfont
       {4~wf^60,8~zf^60,18^35,18^-35}:/_,{1^60,5^180,16^60}:/*H,
       14:\*,|,?5,{1,4}=dl,3:O
      )
-    EXT(
+    ext(
       label.lrt("("&inf_EN&")",(0,h));
       defaultscale:=0.8;
       label.lrt("FM(C): "&cal_FM,(0,h-5mm));
@@ -143,7 +143,7 @@ beginfont("NO:4","EN:Gibberellin A3","MW:346.37");
    <18,?5,3=?7,5=?6[12],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:*/_,{1,4}:*/H^60)
-    EXT(
+    ext(
       label.lrt("("&inf_EN&")",(0,h));
       defaultscale:=0.8;
       label.lrt("FM(C): "&cal_FM,(0,h-5mm));
@@ -171,7 +171,7 @@ beginfont("EN:Morphine","MW:285.343")
     7:@,60~wf`0.75,70~si_`1.3,45,N,/_,9~wb:#,
     15=d,6:/OH,8^180:*/H,12:/*OH
   )
-  EXT(
+  ext(
     label.lrt("("&inf_EN&")",(0,h));
     defaultscale:=0.8;
     label.lrt("FM(C): "&cal_FM,(0,h-5mm));
@@ -196,13 +196,13 @@ endfont
 fsize:=(80mm,35mm);
 beginfont("NO:5","EN:Erythromycin","MW:733.93");
   MCat(0.8,0.5)(
-    <30,|<=1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,>|,1:#,
+    <30,|=1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,=|,1:#,
      14:O,13:/*Et,{1,9}://O,{2,10}:*/_,{4,6^-35,8,12^35}:/*_,
      {6^35,11,12^-35}:*/OH,
      $3:\*,O,30,|,?6`.7,2:O,{3,5^35}:/_,4:/OH,5^-35:/O!,
      $5:\*^30`1.7,O,!,|,?6`.7,6:O,5:/_,2:/OH,3:/NMeMe
      )
-    EXT(
+    ext(
       label.lrt("("&inf_EN&")",(0,h));
       defaultscale:=0.8;
       label.lrt("FM(C): "&cal_FM,(0,h-5mm));
@@ -213,8 +213,8 @@ beginfont("NO:5","EN:Erythromycin","MW:733.93");
 \end{mplibcode}
 \begin{minipage}[b]{85mm}
 \begin{verbatim}
-<30,|<=1,<-120,60,60,60,-60,60,
-60,-60,60,60,60,-60,60,60,>|,1:#,
+<30,|=1,<-120,60,60,60,-60,60,
+60,-60,60,60,60,-60,60,60,=|,1:#,
 14:O,13:/*Et,{1,9}://O,{2,10}:*/_,
 {4,6^-35,8,12^35}:/*_,
 {6^35,11,12^-35}:*/OH,
@@ -230,12 +230,12 @@ $5:\*^30`1.7,O,!,|,?6`.7,6:O,
 fsize:=(80mm,35mm);
 beginfont("EN:Paclitaxel","MW:853.918")
   MCat(0.8,0.5)(
-    ?6,5=d,3:@,|<=1,36,45,45,45,45,>|,$5:#,-4=?6,-4=?4,||,-1=wb,-3=wf,-1:O,
+    ?6,5=d,3:@,|=1,36,45,45,45,45,=|,$5:#,-4=?6,-4=?4,||,-1=wb,-3=wf,-1:O,
     {4^35,4^-35,6}:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O,
     $1:\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph,
     $7:\*,O,-45,//O,60,Ph,$11:*\,O,-60,//O,60,$12:\*^-15,O,60,//O,-60
   )
-  EXT(
+  ext(
     label.lrt("("&inf_EN&")",(0,h));
     defaultscale:=0.8;
     label.lrt("FM(C): "&cal_FM,(0,h-5mm));
@@ -246,7 +246,7 @@ endfont
 \end{mplibcode}
 \begin{minipage}[b]{85mm}
 \begin{verbatim}
-?6,5=d,3:@,|<=1,36,45,45,45,45,>|,$5:#,
+?6,5=d,3:@,|=1,36,45,45,45,45,=|,$5:#,
 -4=?6,-4=?4,||,-1=wb,-3=wf,-1:O,
 {4^35,4^-35,6}:/_,{3^-60,15}:*/OH,
 8:/*H^-60,9:*/_^60,10://O,
@@ -264,10 +264,10 @@ fsize:=(80mm,70mm);
 beginfont("NO:6","EN:Vancomycin","MW:1449.25");
   MCat(0.9,0)(
     <30,
-    |<=1,!12,{1,3,12}=zf,7=wf,/H^-60,60,*/OH,60,
+    |=1,!12,{1,3,12}=zf,7=wf,/H^-60,60,*/OH,60,
     Ph,-4:/Cl,-3:\,O,!,Ph,-4:\,O,!,Ph,-1^15:/Cl,-3:\,/*OH,*/H^-60,$1:#,
     $7:@,$26:#,$1:@,120,//O,60,NH,60,/*H,*/COOH^180,-60,
-    Ph,{-2,-4}:/OH,-1:\,Ph,-5:/OH,-2:@,$4:#,>|,
+    Ph,{-2,-4}:/OH,-1:\,Ph,-5:/OH,-2:@,$4:#,=|,
     {3^40,6,9,12}://O,{2,5,8,11}:NH,
     {1^180,4^180}:*/H,{7^-60,10^60,14^60}:/*H,
     $10:*\^-60,60,//O,!,NH2,
@@ -275,7 +275,7 @@ beginfont("NO:6","EN:Vancomycin","MW:1449.25");
     $23:\,O,!,|,?6`.7,2:O,3^10:/!OH,{4,5}:/OH,
     -1:\,O,!,|,?6`.7,6:O,{3^35,5}:/_,3^-35:/NH2,4:/OH
     )
-    EXT(
+    ext(
       label.lrt("("&inf_EN&")",(0,h));
       defaultscale:=0.8;
       label.lrt("FM(C): "&cal_FM,(0,h-5mm));
@@ -286,13 +286,13 @@ endfont;
 \end{mplibcode}
 \begin{minipage}[b]{85mm}
 \begin{verbatim}
-<30,|<=1,!12,{1,3,12}=zf,7=wf,
+<30,|=1,!12,{1,3,12}=zf,7=wf,
 /H^-60,60,*/OH,60,Ph,-4:/Cl,
 -3:\,O,!,Ph,-4:\,O,!,Ph,-1^15:/Cl,
 -3:\,/*OH,*/H^-60,$1:#,
 $7:@,$26:#,$1:@,120,//O,60,NH,60,
  /*H,*/COOH^180,-60,
-Ph,{-2,-4}:/OH,-1:\,Ph,-5:/OH,-2:@,$4:#,>|,
+Ph,{-2,-4}:/OH,-1:\,Ph,-5:/OH,-2:@,$4:#,=|,
 {3^40,6,9,12}://O,{2,5,8,11}:NH,
 {1^180,4^180}:*/H,
 {7^-60,10^60,14^60}:/*H,
@@ -326,7 +326,7 @@ $23:\,O,!,|,?6`.7,2:O,3^10:/!OH,{4,5}:/OH,
     $36:@,-45~zf,O,30,SOO,30,"O{Na}",
     $150:\,|,!7,{1,2}:/*OH,4:*/_,5:/*_,7=dl
     )
-    EXT(
+    ext(
       label.lrt("("&inf_EN&")",(0,.8h));
       defaultscale:=0.8;
       label.lrt("FM(C): "&cal_FM,(0,.8h-5mm));
@@ -371,7 +371,7 @@ MCat(0,   0.05)(<30,O[-1],!0,//O,!3,//O,!,O[-1])
 MCat(0,   0.55)(<30,O[-1],!0,//O,!,!~dr,!,//O,!,O[-1])
 MCat(0,      1)(<30,O[-1],!0,//O,!3,//O,!,O[-1],3:/OH)
 %-------------------------------------------------------------------------
-EXT(
+ext(
 defaultfont:="uhvr8r";
 defaultscale:=0.75;
 ext_setup;
@@ -429,7 +429,7 @@ MCat(0.33,0.05)(<30,O[-1],!0,//O,!3,//O,!,"{S-CoA}")
 MCat(0,   0.05)(<30,O[-1],!0,//O,!3,//O,!,O[-1])
 MCat(0,   0.55)(<30,O[-1],!0,//O,!,!~dr,!,//O,!,O[-1])
 MCat(0,      1)(<30,O[-1],!0,//O,!3,//O,!,O[-1],3:/OH)
-EXT(
+ext(
 defaultfont:="uhvr8r";
 defaultscale:=0.75;
 ext_setup;
diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
index 75deb69c4d4..12652c004bf 100644
--- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
+++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
@@ -1,5 +1,5 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 4.40     Copyright (c) 2013-2019   Akira Yamaji
+% mcf2graph ver 4.41     Copyright (c) 2013-2019   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,
@@ -18,10 +18,10 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 %  mcf2graph is METAFONT/METAPOST macro package convert
 %  Molecular Coding Format(MCF) to font(pk)/eps/sgv/png/mdl molfile
-%----------------------------------------------------------------------------------------------
+%--------------------------------------------------------------------------------------------------
 % This package is located at : http://www.ctan.org/pkg/mcf2graph
 % Suggestion or request mail to : mcf2graph@gmail.com 
-%----------------------------------------------------------------------------------------------
+%--------------------------------------------------------------------------------------------------
 % Set output no image file                   : mpost -s bboxmargin=0   FILENAME
 % Set output first font only                 : mpost -s bboxmargin=1   FILENAME
 % Set outputformat to "eps"(.mps)            : mpost -s ahangle=0      FILENAME
@@ -36,7 +36,7 @@
 % Set to use plain.mp (label,arrow,atom)     : mpost -s labeloffset=2  FILENAME
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 tracingstats:=1;
-message " This is mcf2graph ver 4.40  2019.03";
+message " This is mcf2graph ver 4.41  2019.05";
 %-------------------------------------------------------------------------------------------------
 newinternal char_num,str_cnt,sub_usr,sub_int,tbl_cnt,sharp_char;
 numeric save_num[],comD[][],parD[][],cntD[],tbl_atom[],tbl_subst[][],
@@ -47,7 +47,7 @@ pair    save_pair[],msize,mposition,fsize,fmargin,save_mposition;
 picture mol_stru[];
 path    arrow_path,arrow_head;
 %-------------------------------------------------------------------------------------------------
-char_num:=str_cnt:=proc_end:=mangle:=sw_label_emu:=0;
+char_num:=str_cnt:=proc_end:=mangle:=sw_label_emu:=sw_calc:=sw_extall:=0;
 sw_numberA:=sw_numberB:=sw_mframe:=sw_aux_out:=sw_expand:=sw_fframe:=sw_trimming:=0;
 sw_aframe:=sw_rep_out:=sw_mol_out:=sw_subst_off:=sw_single:=sw_auxfix:=sw_arrow:=0;
 numberA_start:=numberB_start:=1; numberA_end:=numberB_end:=4095; aux_max:=max_inf_num:=20;
@@ -98,6 +98,7 @@ if (known green)and(known ahlength):
   def printf expr s= write s to out_file_name enddef;
   def # = enddef;
   def Cp(expr s) = if known s: if s<>0: withcolor color_list[s] fi fi enddef;
+  def ext(text TXT)= sw_extall:=sw_calc:=1; def EXTALL = TXT enddef; enddef;
   if atomfont="":    atomfont:="draw";    fi % default atom font
   if defaultfont="": defaultfont:="draw"; fi % default label font
   %-----------------------------------------------------------------------------------------
@@ -106,6 +107,7 @@ else: f_MP:=0;
   dotlabeldiam:=3bp;
   def Cp(expr s) = enddef;
   def color = transform enddef;
+  def ext(text TXT)= enddef;
   sw_arrow:=0;
   atomfont:="draw";
   defaultfont:="draw";
@@ -125,7 +127,7 @@ ratio_char_bond:=1.5;         ratio_bondgap_bond:=0.15;  ratio_zebragap_bond:=0.
 ratio_zebra_black:=0.4;       ratio_wedge_bond:=0.12;    ratio_atomgap_atom:=0.050;
 offset_thickness:=0.2bp;      offset_bond_gap:=0.3bp;    offset_zebra_gap:=0.1bp;
 offset_atom:=0.8pt;           offset_wedge:=0.4bp;
-thickness_fframe:=0.2bp;      thickness_mframe:=0.2bp;      thickness_aframe:=0.1bp;
+thickness_fframe:=0.2bp;      thickness_mframe:=0.2bp;   thickness_aframe:=0.1bp;
 max_blength:=10mm;            blength:=0;                mangle:=0;
 %--------------------------------------------------------------------------------------------------
 fsize:=(30mm,20mm); fmargin:=(0.4mm,0.4mm); msize:=(1,1); mposition:=(0.5,0.5);
@@ -151,7 +153,7 @@ def_com(-4000)(_term,_jp_atom,_jp_atom_abs,_jp_bond,_cyc,_cyc_sB,_cyc_eB,_set_li
 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_rep_out,sw_numberA,sw_numberB,sw_mframe,sw_aux_out,sw_expand,sw_mol_out,
+  sw_rep_out,sw_numberA,sw_numberB,sw_mframe,sw_aux_out,sw_expand,sw_mol_out,sw_calc,sw_extall,
   sw_aframe,sw_fframe,sw_subst_off,sw_single,sw_trimming,sw_arrow,sw_label_emu,
   ratio_atom_bond,ratio_thickness_bond,ratio_char_bond,
   ratio_chain_ring,ratio_bondgap_bond,ratio_zebra_black,ratio_zebragap_bond,ratio_thickness_char,
@@ -202,24 +204,41 @@ enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 def beginfont(text s)=
   begingroup
-  save cntA,cntB,cntM,minX,minY,f_beginchar,numS,sftX,sftY,f_ext,blen,
+  save cntA,cntB,cntM,minX,minY,f_beginchar,numS,sftX,sftY,f_ext,blen,ext,add,
        cal_FM,cal_MW,cal_MW_str,cal_MI,cal_MI_str,wdM,htM,
        inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_MW,
        posA,posM,lineB,sB,eB,angB,angA,wdA,dxA,lenB,ang_br,info;
   numeric lineB[],sB[],eB[],angB[],angA[],lenB[],angX[],numS[],wdM[],htM[],wdA[],dxA[],dx_A[];
   pair posA[],posM[][];
-  string info[],cal_FM,cal_MW,cal_MW_str,cal_MI,cal_MI_str,
+  string info[],sumA,s_tag,s_var,cal_FM,cal_MW,cal_MW_str,cal_MI,cal_MI_str,
          inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_MW;
   %------------------------------------------------------------------------------------------------
+  def ext=ext_font enddef;
+  def add=add_mol enddef;
+  %------------------------------------------------------------------------------------------------
+  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:="";
+  %------------------------------------------------------------------------------------------------
   char_num:=char_num+1;
   store_par(parameter_list);
   for i:=1 upto max_inf_num: info[i]:=":"; endfor
   f_ext:=inf_num:=cntM:=0;
   for list=s: inf_num:=inf_num+1; info[inf_num]:=list; endfor
+  %------------------------------------------------------------------------------------------------
+  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
+  %------------------------------------------------------------------------------------------------
   mol_stru[0]:=nullpicture;
 enddef;
 %==================================================================================================
 def endfont=
+  if (f_MP=1)and(sw_extall=1): ext_font(EXTALL); fi
   if sw_trimming>=1:
     nA:=nC:=4095; nB:=nD:=-4095;
     for i=1 upto cntM:
@@ -240,12 +259,12 @@ def endfont=
   if f_MP=0: beginchar(char_num,font_wd/bp*bp#,font_ht/bp*bp#,0)
   else:      beginfig(char_num) w:=charwd:=font_wd; h:=charht:=font_ht; chardp:=0;
   fi
-  if (sw_fframe=1)or(sw_fframe=3): EXT(draw_frame((0,0),w,h,thickness_fframe);) fi
-  if (sw_fframe=2)or(sw_fframe=3): EXT(draw_frame(p0,w0,h0,thickness_fframe);) fi
-  if sw_fframe=4: EXT(drawdot(0,0); drawdot(w,0); drawdot(w,h); drawdot(0,h);) fi
+  if (sw_fframe=1)or(sw_fframe=3): ext(draw_frame((0,0),w,h,thickness_fframe);) fi
+  if (sw_fframe=2)or(sw_fframe=3): ext(draw_frame(p0,w0,h0,thickness_fframe);) fi
+  if sw_fframe=4: ext(drawdot(0,0); drawdot(w,0); drawdot(w,h); drawdot(0,h);) fi
   for i=1 upto cntM:
     addto currentpicture also mol_stru[i] shifted posM[0][i]; mol_stru[i]:=nullpicture;
-    if sw_mframe=1: EXT(draw_frame(p[i],w[i],h[i],thickness_mframe)) fi
+    if sw_mframe=1: ext(draw_frame(p[i],w[i],h[i],thickness_mframe)) fi
   endfor
   if f_ext=1: addto currentpicture also mol_stru[0]; mol_stru[0]:=nullpicture; fi
   endchar;
@@ -257,7 +276,7 @@ enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 def set_def_MC=
   save /,//,/*,*/,**,*/*,~,~~,^,^^,`,'`,<,>,>>,:>,&,:,=,\,\\,*\,\*,*\*,@,$,{,},#,
-       |,||,|<,>|,|<=,|:,:|,_,d,w,z,inside_def_MC;
+       |,||,|<,>|,|<=,|=,=|,|:,:|,_,d,w,z,inside_def_MC;
   inside_def_MC:=1;
   _:=Me; d:=db; w:=wf; z:=zf;
   tertiarydef a=b == change_bond(a,b) enddef; 
@@ -275,7 +294,9 @@ def set_def_MC=
   def \\ == \~dm enddef; def *\ == \~wf enddef; def \* == \~zf enddef; def *\* == \~wv enddef;
   def |: == (_push,0) enddef; def :| == (_pop,0)  enddef;
   def |< == (_push,1) enddef; def >| == (_pop,1)  enddef;
-  def |<=primary n == ``n,(_push,1) enddef;
+  def |<=primary n == ``n,(_push,0) enddef;
+  def |=primary n == (_push,0),``n enddef;
+  def =|          == (_pop,0) enddef;
   def | == (_push,2) enddef;  def || == (_pop,2) enddef;
   def /secondary n ==  (_postA,n) enddef;  def //secondary n == (_postB,n) enddef;
   def */secondary n == (_postC,n) enddef;  def /*secondary n == (_postD,n) enddef;
@@ -333,13 +354,13 @@ vardef '''(text TXT)=
   sub_int    %------- Retern value -------
 enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-def FR(expr a,b) =
+def fuse_ring(expr a,b) =
   PA(_jp_bond,a) PA(_rot_ang,180) PA(_get_len,a) PA(_push,0)
   PA(_chg_len,_ring_len) for i==1 upto b-2:: PA(_mk_bond,360 DIV b) endfor  PA(_pop,0)
   if a>=1:: PA(_cyc_eB,0) elseif a>=-999:: PA(_cyc_eB,a-b+2) else:: PA(_cyc_eB,a) fi
 enddef;
 %-------------------------------------------------------------------------------------------------
-def FFR(expr a,b,c) =
+def fuse_ring_bonds(expr a,b,c) =
   PA(_jp_bond,xpart(a)) PA(_rot_ang,180) PA(_push,0)
   if     b==6:: PA(_chg_len,0) for i==1 upto c-1:: PA(_mk_bond,60) endfor
   elseif b==5:: if     c==2:: PA(_chg_len,1.25) PA(_mk_bond,80)
@@ -348,7 +369,7 @@ def FFR(expr a,b,c) =
   PA(_pop,0) if ypart(a)<=0:: PA(_cyc_eB,ypart(a)-c+1) else:: PA(_cyc_eB,ypart(a)) fi
 enddef;
 %-------------------------------------------------------------------------------------------------
-def FRR(expr a,b,c) =
+def fuse_ring_rate(expr a,b,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)) for i==1 upto 3:: PA(_mk_bond,60+((c-8) DIV 2)) endfor
@@ -365,16 +386,16 @@ vardef change_bond(expr a,b) =
   if known b:: if numeric b::
     if (b>=si)and(b<=bd_):: if b==dl:: PP(a,_dl) else:: PX(a)(_set_line,b) fi
     elseif (b>=?3)and(b<=?20)::
-      if a>=sub_int_start:: for i==1 upto cntD[a]:: FR(parD[a][i],b-?3+3) endfor
-      else::                FR(a,b-?3+3)
+      if a>=sub_int_start:: for i==1 upto cntD[a]:: fuse_ring(parD[a][i],b-?3+3) endfor
+      else::                fuse_ring(a,b-?3+3)
       fi
-    elseif b==Ph1:: FR(a,6) PA(_dl,-2) PA(_dl,-4)
-    elseif b==Ph2:: FR(a,6) PA(_dl,-1) PA(_dl,-3) PA(_dl,-5)
+    elseif b==Ph1:: fuse_ring(a,6) PA(_dl,-2) PA(_dl,-4)
+    elseif b==Ph2:: fuse_ring(a,6) PA(_dl,-1) PA(_dl,-3) PA(_dl,-5)
     elseif b==_jump_at:: PA(_jp_bond,a)
     elseif b==_connect_at:: PA(_cyc_sB,a)
     elseif comD[b][1]==_fuse::
-      if      comD[b][2]<=6::                      FFR(a,parD[b][1],comD[b][2])
-      elseif (comD[b][2]>=11)and(comD[b][2]<=15):: FRR(a,parD[b][1],comD[b][2])
+      if      comD[b][2]<=6::                      fuse_ring_bonds(a,parD[b][1],comD[b][2])
+      elseif (comD[b][2]>=11)and(comD[b][2]<=15):: fuse_ring_rate(a,parD[b][1],comD[b][2])
       fi
     fi
   elseif color b:: color_list[incr cntC]:=b; PX(a)(_set_colorB,cntC)
@@ -443,10 +464,12 @@ def ext_setup=
   labeloffset:=3bp;
   save em;
   em=defaultscale*defaultsize;
-  if (defaultfont="draw")or(f_MP=0)or(sw_label_emu=1):
+  if (f_MP=0)or(sw_label_emu=1):
     save label,dotlabel;
-    def label = label_emu enddef;
+    def label    = label_emu enddef;
     def dotlabel = dotlabel_emu enddef;
+  else:
+    defaultfont:="uhvr8r";
   fi
   if (sw_arrow=0)or(f_MP=0):
     save drawarrow,drawdblarrow;
@@ -455,24 +478,7 @@ def ext_setup=
   fi
 enddef;
 %--------------------------------------------------------------------------------------------------
-def EXT(text TXT)=
-  begingroup
-  save w,h,wd,ht,n,p,am,aw;
-  pair p[];
-  ext_setup;
-  w:=xpart(fsize);
-  h:=ypart(fsize);
-  w0:=w-2margin_lr;
-  h0:=h-2margin_tb;
-  p0:=(margin_lr,margin_tb);
-  aw:=atom_wd;
-  n:=cntM;
-  for i=1 upto n: p[i]:=posM[1][i]; w[i]:=wdM[i]; h[i]:=htM[i]; endfor
-  TXT addto mol_stru[0] also currentpicture; clearit; f_ext:=1;
-  endgroup;
-enddef;
-%--------------------------------------------------------------------------------------------------
-def ext(text TXT)=
+def add_mol(text TXT)=
   begingroup
   save w,h,n,l,p,am,aw,A,B;
   numeric A[]dir,B[]dir;
@@ -489,6 +495,23 @@ def ext(text TXT)=
   endgroup;
 enddef;
 %--------------------------------------------------------------------------------------------------
+def ext_font(text TXT)=
+  begingroup
+  save w,h,wd,ht,n,p,am,aw;
+  pair p[];
+  ext_setup;
+  w:=xpart(fsize);
+  h:=ypart(fsize);
+  w0:=w-2margin_lr;
+  h0:=h-2margin_tb;
+  p0:=(margin_lr,margin_tb);
+  aw:=atom_wd;
+  n:=cntM;
+  for i=1 upto n: p[i]:=posM[1][i]; w[i]:=wdM[i]; h[i]:=htM[i]; endfor
+  TXT addto mol_stru[0] also currentpicture; clearit; f_ext:=1;
+  endgroup;
+enddef;
+%--------------------------------------------------------------------------------------------------
 vardef label_emu@#(expr STR,POS) = %% modified 'thelabel@#(expr s,z)' of plain.mp
   save oft,fx,fy,wds,sC,bA;
   pair oft,oft.lft,oft.rt,oft.top,oft.bot,oft.ulft,oft.llft,oft.urt,oft.lrt;
@@ -706,7 +729,7 @@ def MC(text TXT)=
   mol_stru[cntM]:=currentpicture;
   clearit;
   endgroup;
-  if ((sw_aux_out=1)or(sw_rep_out=1)or(sw_mol_out>=1))and(f_MP=1): proc_calc_out; fi
+  if ((sw_aux_out=1)or(sw_rep_out=1)or(sw_mol_out>=1)or(sw_calc=1))and(f_MP=1): proc_calc; fi
   %-----------------------------------------------------------------------------------------------
 %%%%  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);
@@ -1164,7 +1187,7 @@ OCOMe:=OCO!:='(O,!,//O,!); NMeMe:=NMe!:='(N!,!); NHCOMe:=NHCO!:='(NH,!,//O,!);
 NHiPr:=NHMe!:='(NH,!,iPr); NHtBu:='(NH,!,tBu); NHMe:=NH!:='(NH,!); NHEt:=NH!2:='(NH,!x2);
 !NH!:='(!,NH,!); !CO!:='(!,//O,!); !OH:='(!,OH); !SH:='(!,SH); !NH2:='(!,NH2); !OMe:=!O!:='(!,OMe);
 !COOH:='(!,COOH); !CH3:='(!,CH3); !CN:='(!,CN); !iPr:=!Me!:='(!,iPr); !tBu:='(!,tBu); !Ph:='(!,Ph);
-!CHO:='(!,CHO); !NO2:='(!,NO2);
+!CHO:='(!,CHO); !NO2:='(!,NO2); !Cl:='(!,Cl); !F:='(!,F);
 !?3:='(!,?3); !?4:='(!,?4); !?5:='(!,?5); !?6:='(!,?6); CF2:='(/F,60,F); CCl2:='(/Cl,60,Cl);
 CBr2:='(/Br,60,Br); CF3:='(/F,/F^60,60,F); CCl3:='(/Cl,/Cl^60,60,Cl); CBr3:='(/Br,/Br^60,60,Br);
 %==================================================================================================
@@ -1383,22 +1406,13 @@ 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("C{H_3_}")("C","H","H","H"); STb("C{F_3_}")("C","F","F","F");
 %==================================================================================================
-def proc_calc_out=
+def proc_calc=
   begingroup
   save warning_cnt,MWp,knownA,bondC,tmp_wtp,bond_cnt,cnt_hide_H;
   numeric sumA[],bondC[],hideH[];
-  string sumA,s_tag,s_var;
-  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;
+  string sumA;
+  cnt_hide_H:=warning_cnt:=num_MW:=num_MI:=MWp:=0;
   %------------------------------------------------------------------------------------------
-  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;
@@ -1442,14 +1456,14 @@ def proc_calc_out=
       nA:=tbl_atom_wt[i]/100*sumA[i];
       MWp:=MWp+nA;
       if (MWp<40)and(nA<40):
-        MW_num:= MW_num+tbl_atom_wt[i]*sumA[i];
-        MI_num:= MI_num+tbl_atom_mi[i]*sumA[i];
+        num_MW:= num_MW+tbl_atom_wt[i]*sumA[i];
+        num_MI:= num_MI+tbl_atom_mi[i]*sumA[i];
       fi
       cal_FM:=cal_FM&stripP(tbl_atom_str[i]) if sumA[i]>=2: &decimal(sumA[i]) fi;
     fi
   endfor
-  cal_MI:=substring (0,10) of decimal(MI_num);
-  cal_MW:=substring (0,8)  of decimal(MW_num);
+  cal_MI:=substring (0,10) of decimal(num_MI);
+  cal_MW:=substring (0,8)  of decimal(num_MW);
   if sw_aux_out=1:  proc_auxfile_out; fi
   if sw_rep_out=1:  proc_report_out;  fi
   if sw_mol_out>=1: proc_mol_out;     fi
@@ -1529,7 +1543,7 @@ def proc_report_out=
     fixed_r(12)(cal_MW_str)&"["&fixed_r(12)(cal_MI_str)&"]";
   printf "------------------------------------------------------------------";
   printf " Weight  Calc: " &cal_MW_str &" / Input: "
-    if inf_MW<>"": &inf_MW &" / weight gap= " &decimal(MW_num-scantokens(inf_MW)) fi;
+    if inf_MW<>"": &inf_MW &" / weight gap= " &decimal(num_MW-scantokens(inf_MW)) fi;
   printf " Fomula  Calc: "&cal_FM&" / Input: "
     if inf_FM<>"": &inf_FM&" / "& iif(inf_FM=cal_FM,"MACTCH","NOT MACTCH") fi;
   printf "==================================================================";
author	Karl Berry <karl@freefriends.org>	2019-05-11 21:31:07 +0000
committer	Karl Berry <karl@freefriends.org>	2019-05-11 21:31:07 +0000
commit	1f17918f6a9af739d984a5ea165dcbbe1c78f0b6 (patch)
tree	4baeaba1cf508a57e730777a94a8f0af073187f4 /Master/texmf-dist
parent	91fbd846a19a9fa95dc49d749ff382dee0610e4a (diff)