texlive[58904] Master/texmf-dist: mcf2graph (18apr21)

commits+karl at tug.org commits+karl at tug.org
Sun Apr 18 22:19:06 CEST 2021


Revision: 58904
          http://tug.org/svn/texlive?view=revision&revision=58904
Author:   karl
Date:     2021-04-18 22:19:06 +0200 (Sun, 18 Apr 2021)
Log Message:
-----------
mcf2graph (18apr21)

Modified Paths:
--------------
    trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
    trunk/Master/texmf-dist/doc/metapost/mcf2graph/README
    trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf
    trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
    trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
    trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
    trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
    trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
    trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
    trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
    trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
    trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf

Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG	2021-04-18 20:18:42 UTC (rev 58903)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG	2021-04-18 20:19:06 UTC (rev 58904)
@@ -1,6 +1,21 @@
 *******************************************************************************
- Changelog of mcf2graph software package          by Akira Yamaji 2021-04-04
+ Changelog of mcf2graph software package          by Akira Yamaji 2021-04-18
 *******************************************************************************
+[ver. 4.63  / 2021-04-18]
+  -add option parameter sw_output
+     sw_calc   =1 => sw_output=None
+     sw_aux_out=1 => sw_output=Info1
+     sw_aux_out=2 => sw_output=Info2
+     sw_rep_out=1 => sw_output=Report
+     sw_mol_out=1 => sw_output=MOL2k
+     sw_mol_out=2 => sw_output=MOL3k
+  -delete option parameters
+     sw_calc,sw_aux_out,sw_rep_out,sw_mol_out,
+     sw_file_open
+  -change molecular data base format
+     end MCF : "-" => "+"
+  -update MCF manual,example
+
 [ver. 4.62  / 2021-04-04]
   -add molecular data base file
      'mcf_data_base.mcf'

Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/README
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/README	2021-04-18 20:18:42 UTC (rev 58903)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/README	2021-04-18 20:19:06 UTC (rev 58904)
@@ -1,7 +1,7 @@
 ********************************************************************************
  mcf2graph  : Convert Molecular Coding Format to graphics with METAFONT/METAPOST
  Author     : Akira Yamaji
- version    : 4.62 2021-04-04
+ version    : 4.63 2021-04-18
  E-mail     : mcf2graph at gmail.com
  Located at : http://www.ctan.org/pkg/mcf2graph
 ********************************************************************************
@@ -24,14 +24,17 @@
                             use pk font for proof print
                             use mps file for final print
                               make file 'mcf_man_soc-***.mps' before typeset
-                                >mpost -s mcf_man_soc.mf
+                                >mpost mcf_man_soc.mf
  ( 7) mcf_man_soc.mf      Molecular difinition file for mcf_manual.tex
  ( 8) mcf_manual.pdf      PDF of (4) (used pdftex(LaTeX),makeindex)
- ( 9) mcf_example.tex     LaTeX example,
+ ( 9) mcf_example.tex     LaTeX example
                             make file 'mcf_exa_soc-info.aux' before typeset
                               >mpost -s ahlength=1 mcf_exa_soc.mf
                             make file 'mcf_exa_soc-***.mps' before typeset
-                              >mpost -s mcf_exa_soc.mf
+                              >mpost mcf_exa_soc.mf
+                           (for metafont)
+                            make file 'mcf_exa_soc-mf.aux' before typeset
+                              >mpost -s ahlength=7 mcf_exa_soc.mf
  (10) mcf_exa_soc.mf      Metafont/Metapost souce file for mcf_example.tex
  (11) mcf_example.pdf     PDF of (8) typeset with pdftex(LaTeX)
  (12) mcf_mplib_exa.tex   luamplib(LuaLaTeX) example
@@ -39,21 +42,21 @@
 
 3. How to use mcf2graph with Metapost
  Minimum requirement to run mcf2graph : mpost.exe,mpost.dll,mpost.mp,plain.mp
- ( 1) >mpost -s bboxmargin=0  FILENAME  => output no graphic file
+ ( 1) >mpost                  FILENAME  => output eps(.mps) file
  ( 2) >mpost -s bboxmargin=1  FILENAME  => output first font only (for test)
- ( 3) >mpost -s ahangle=0     FILENAME  => output eps file (.mps default)
- ( 4) >mpost -s ahangle=1     FILENAME  => output png file (600dpi)
- ( 5) >mpost -s ahangle=13    FILENAME  => output png file (1200dpi)
- ( 6) >mpost -s ahangle=2     FILENAME  => output svg file 
- ( 7) >mpost -s ahangle=3     FILENAME  => output eps file (.eps)
- ( 8) >mpost -s ahlength=1    FILENAME  => output aux file
+ ( 3) >mpost -s ahangle=1     FILENAME  => output png file (600dpi)
+ ( 4) >mpost -s ahangle=11    FILENAME  => output png file (1200dpi)
+ ( 5) >mpost -s ahangle=2     FILENAME  => output svg file 
+ ( 6) >mpost -s ahangle=3     FILENAME  => output eps(.eps) file
+ ( 7) >mpost -s ahlength=1    FILENAME  => output info-aux file
                                              tag1:var1;tag2:var2;
- ( 9) >mpost -s ahlength=2    FILENAME  => output aux file
+ ( 8) >mpost -s ahlength=2    FILENAME  => output aux file
                                              tag1;tag2;
                                              var1;var2;
- (10) >mpost -s ahlength=3    FILENAME  => output report file
- (11) >mpost -s ahlength=5    FILENAME  => output mol file(V2000)
- (12) >mpost -s ahlength=6    FILENAME  => output mol file(V3000)
+ ( 9) >mpost -s ahlength=3    FILENAME  => output report file
+ (10) >mpost -s ahlength=5    FILENAME  => output mol file(V2000)
+ (11) >mpost -s ahlength=6    FILENAME  => output mol file(V3000)
+ (12) >mpost -s ahlength=7    FILENAME  => output mf-aux file
  (13) >mpost -s labeloffset=1 FILENAME  => use plain.mp 'label','drawarrow'
  (14) >mpost -s labeloffset=2 FILENAME  => atomfont="uhvr8r"
 

Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf	2021-04-18 20:18:42 UTC (rev 58903)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf	2021-04-18 20:19:06 UTC (rev 58904)
@@ -1,507 +1,507 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% molecular data base file mcf_exa_data.mcf  by Akira Yamaji  2021.04.04
+% molecular data base file    mcf_data_base.mcf   by Akira Yamaji   2021.04.18
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 %  tag1:var1;tag2:var2;tag3:var3 .....
 %  first character of line '%' comment out
-%  first character of line '+' begin MCF
-%  first character of line '-' end MCF
+%  first character of line '+' begin MCF , end MCF
+%  Cat = Category
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 %==============================================================================
 % molecular data for mcf_example.tex  No.1-155
 %==============================================================================
-EN:Adenine;MW:135.13
+Cat:biological;EN:Adenine;MW:135.13
 +
 <30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH
--------------------------------------------------------------------------------
-EN:Guanine;MW:151.13
++------------------------------------------------------------------------------
+Cat:biological;EN:Guanine;MW:151.13
 +
 <30,?6,3=?5,{1,3,9}=dl,{2,9}:N,{6,7}:NH,5://O,1:/NH2
--------------------------------------------------------------------------------
-EN:Cytosine;MW:111.10
++------------------------------------------------------------------------------
+Cat:biological;EN:Cytosine;MW:111.10
 +
 <30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2
--------------------------------------------------------------------------------
-EN:Thymine;MW:126.11
++------------------------------------------------------------------------------
+Cat:biological;EN:Thymine;MW:126.11
 +
 <30,?6,3=dl,{2,6}:NH,{1,5}://O,4:/_
--------------------------------------------------------------------------------
-EN:Uracil;MW:112.09
++------------------------------------------------------------------------------
+Cat:biological;EN:Uracil;MW:112.09
 +
 <30,?6,6=dl,{3,5}://O,{2,4}:NH
--------------------------------------------------------------------------------
-EN:Geraniol;MW:154.25
++------------------------------------------------------------------------------
+Cat:biological;EN:Geraniol;MW:154.25
 +
 <30,!8,OH,{2,6}=dr,{2,6}:/_
--------------------------------------------------------------------------------
-EN:Limonene;MW:136.24
++------------------------------------------------------------------------------
+Cat:biological;EN:Limonene;MW:136.24
 +
 <30,?6,2=dl,2:/_, at 5,*\,/_,!!
--------------------------------------------------------------------------------
-EN:l-Menthol;MW:156.27
++------------------------------------------------------------------------------
+Cat:biological;EN:l-Menthol;MW:156.27
 +
 <30,?6,2:/*?!,5:*/_,3:*/OH
--------------------------------------------------------------------------------
-EN:Vanillin;MW:152.15
++------------------------------------------------------------------------------
+Cat:biological;EN:Vanillin;MW:152.15
 +
 <30,Ph,2:/OH,3:/O!,5:/CHO
--------------------------------------------------------------------------------
-EN:Allicin;MW:162.28
++------------------------------------------------------------------------------
+Cat:biological;EN:Allicin;MW:162.28
 +
 <-30,!!,!2,SO,!,S,!2,!!
--------------------------------------------------------------------------------
-EN:Stearic acid;MW:284.48
++------------------------------------------------------------------------------
+Cat:biological;EN:Stearic acid;MW:284.48
 +
 <30,!17,COOH
--------------------------------------------------------------------------------
-EN:Linoleic acid;MW:280.45
++------------------------------------------------------------------------------
+Cat:biological;EN:Linoleic acid;MW:280.45
 +
 <30,!5,-30,-30,!,-30,-30,!7,COOH,{6,9}=dr
--------------------------------------------------------------------------------
-EN:Sphingosine;MW:299.50
++------------------------------------------------------------------------------
+Cat:biological;EN:Sphingosine;MW:299.50
 +
 <30,!18,OH,14=dr,-3:*/OH,-2:/*NH2
--------------------------------------------------------------------------------
-EN:Tocopherol;MW:430.717
++------------------------------------------------------------------------------
+Cat:biological;EN:Tocopherol;MW:430.717
 +
 <30,Ph,3=?6,7:O,{1,2,5}:/_,8:/*_^60,6:/OH, at 8,\,|,!12,{4,8}:/*_,12:/_
--------------------------------------------------------------------------------
-EN:Carotene;MW:536.8726
++------------------------------------------------------------------------------
+Cat:biological;EN:Carotene;MW:536.8726
 +
 <30,?6,4=dl,3:??,5:/_,
   @4,\,|,!18,{1,3,5,7,9,11,13,15,17}=dr,{3,7,12,16}:/_,?6,-6=dl,-5:/_,-1:??
--------------------------------------------------------------------------------
-EN:Adrenalin;MW:183.21
++------------------------------------------------------------------------------
+Cat:biological;EN:Adrenalin;MW:183.21
 +
 <30,Ph,{1,6}:/OH, at 4,\,*/OH,!2,NH,!
--------------------------------------------------------------------------------
-EN:Caffeine;MW:194.194
++------------------------------------------------------------------------------
+Cat:biological;EN:Caffeine;MW:194.194
 +
 <30,?6,3=dl,{1,5}://O,-4=?5,-3=dl,7:N,{2,6,9}:N!
--------------------------------------------------------------------------------
-EN:Nicotine;MW:162.23
++------------------------------------------------------------------------------
+Cat:biological;EN:Nicotine;MW:162.23
 +
 <30,Ph,2:N, at 4,\,?5,8:N!
--------------------------------------------------------------------------------
-EN:Capsaicin;MW:305.418
++------------------------------------------------------------------------------
+Cat:biological;EN:Capsaicin;MW:305.418
 +
 <30,Ph,1:/OH,6:/O!, at 4,\,!,NH,!,//O,!7,?!,-3=dl
--------------------------------------------------------------------------------
-EN:Thiamine;MW:300.81
++------------------------------------------------------------------------------
+Cat:biological;EN:Thiamine;MW:300.81
 +
 <30,Ph,4:/NH2, at 3,\`1,!,<-12,?5,{-1,-4}=dl,{1,5,8}:N,11:S,{6,9}:/_,
   @-3,\,!2,OH,8:p_^72,@(6.7,1.5),Cl,n_^15
--------------------------------------------------------------------------------
-EN:Gibberellin A3;MW:346.379
++------------------------------------------------------------------------------
+Cat:biological;EN:Gibberellin A3;MW:346.379
 +
 <18,?5,3=?7,5=?6[12], at 8,160`1.3,&3,13=dl,6=wf,8=wb,
   @5,40~zf`1,O,50,//O^180,&14~zb,
   2:/COOH,7://_,13:*/OH,8:/*OH,14:*/_,{1,4}:*/H^60
--------------------------------------------------------------------------------
-EN:Cholesterol;MW:386.664
++------------------------------------------------------------------------------
+Cat:biological;EN:Cholesterol;MW:386.664
 +
 <30,?6,{-4,-2}=?6,-4=?5,7=dl,
  1:*/OH,{4,12}:*/_^60,10:/*H^180,{11,-1}:/*H^-60,9:*/H^60, at -1,17,/*_,!4,?!
--------------------------------------------------------------------------------
-EN:Riboflavin;MW:376.37
++------------------------------------------------------------------------------
+Cat:biological;EN:Riboflavin;MW:376.37
 +
 <30,Ph,3=?6,9=?6,{8,16}=dl,{7,10,14}:N,12:NH,{11,13}://O,{1,6}:/_,
   @10,\`1.2,!,*/OH,!,/*OH,!,*/OH,!2,OH
--------------------------------------------------------------------------------
-EN:Resveratrol;MW:228.24
++------------------------------------------------------------------------------
+Cat:biological;EN:Resveratrol;MW:228.24
 +
 <30,Ph, at 4,\,!!,!,Ph,{2,6,-3}:/OH
--------------------------------------------------------------------------------
-EN:Glutathione;MW:307.33
++------------------------------------------------------------------------------
+Cat:biological;EN:Glutathione;MW:307.33
 +
 <-30,COOH,!,/*NH2,!3,//O,!,NH,!,*/!SH,!,//O,!,NH,!2,COOH
--------------------------------------------------------------------------------
-EN:Hexaphenylbenzene;MW:534.6876
++------------------------------------------------------------------------------
+Cat:synthetic;EN:Hexaphenylbenzene;MW:534.6876
 +
 <30,Ph,{1,2,3,4,5,6}:/Ph
--------------------------------------------------------------------------------
-EN:Kekulene;MW:600.7
++------------------------------------------------------------------------------
+Cat:synthetic;EN:Kekulene;MW:600.7
 +
 <30,Ph,{3,-2,-3,-2,-3,-2,-3,-2,-3,-2}=?6,(-3,6)=?6[3], at -4,&6,
 {8,12,14,16,18,22,24,26,28,32,34,36,38,42,44,46,48,52,54,56,58}=dl
--------------------------------------------------------------------------------
-EN:18-Crown-6;MW:264.32
++------------------------------------------------------------------------------
+Cat:synthetic;EN:18-Crown-6;MW:264.32
 +
 <-180,O,60,60,60,O,-60,60,60,O,-60,60,60,O,-60,60,60,O,-60,60,60,O,-60,60,&1
--------------------------------------------------------------------------------
-EN:Porphyrin;MW:310.4
++------------------------------------------------------------------------------
+Cat:synthetic;EN:Porphyrin;MW:310.4
 +
 <9,#1,?5, at 3,\,54,?5, at -2,\,54,?5, at -2,\,54,?5, at -2,\,&5,##,
 {1,4,6,8,10,14,16,18,21,23,27}=dl,{4,17}:N,{11,23}:NH
--------------------------------------------------------------------------------
-EN:Sulflower;MW:448.69
++------------------------------------------------------------------------------
+Cat:synthetic;EN:Sulflower;MW:448.69
 +
 <67.5,?8,{1,3,5,7}=?5, at 11,30`1.15,&12, at 14,30`1.15,&15,
 @17,30`1.15,&18, at 20,30`1.15,&9,{9,12,13,16,17,20,21,24}=dl,
 {10,13,16,19,21,22,23,24}:S
--------------------------------------------------------------------------------
-EN:Arsphenamine x5;MW:915.2
++------------------------------------------------------------------------------
+Cat:synthetic;EN:Arsphenamine x5;MW:915.2
 +
 <18,?5,{1,2,3,4,5}:As,{1,2,3,4,5}:/'(Ph,3:/NH2,4:/OH)
--------------------------------------------------------------------------------
-EN:Melamine;MW:126.12
++------------------------------------------------------------------------------
+Cat:synthetic;EN:Melamine;MW:126.12
 +
 <30,Ph,{2,4,6}:N,{1,3,5}:/NH2
--------------------------------------------------------------------------------
-EN:Sudan red 1;MW:248.28
++------------------------------------------------------------------------------
+Cat:synthetic;EN:Sudan red 1;MW:248.28
 +
 <30,Ph,1=Ph,4:/OH, at 3,\,N,!!,N,!,Ph
--------------------------------------------------------------------------------
-EN:Basic blue 1;MW:319.86
++------------------------------------------------------------------------------
+Cat:synthetic;EN:Basic blue 1;MW:319.86
 +
 <30,Ph,3=Ph,6=Ph,2:S,5:N,{8,13}:/N?!,2:p_,@(4.2,1.5),Cl,n_^15
--------------------------------------------------------------------------------
-EN:Disperse violet 1;MW:238.25
++------------------------------------------------------------------------------
+Cat:synthetic;EN:Disperse violet 1;MW:238.25
 +
 <30,Ph,3=?6,-3=dr,9=Ph,{7,10}://O,{-1,-4}:/NH2
--------------------------------------------------------------------------------
-EN:Vat blue 1;MW:262.27
++------------------------------------------------------------------------------
+Cat:synthetic;EN:Vat blue 1;MW:262.27
 +
 <30,Ph,3=?5, at 8,\\,?5,-3=dr,-3=Ph,{7,14}:NH,{9,11}://O
--------------------------------------------------------------------------------
-EN:Atrazine;MW:215.7
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Atrazine;MW:215.7
 +
 <30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2,3:/NH!?!
--------------------------------------------------------------------------------
-EN:BHC;MW:290.83
++------------------------------------------------------------------------------
+Cat:pesticide;EN:BHC;MW:290.83
 +
 <30,?6`1.2,{1,3,4,6}:*/Cl,{2,5}:/*Cl
--------------------------------------------------------------------------------
-EN:pp-DDT;MW:354.49
++------------------------------------------------------------------------------
+Cat:pesticide;EN:pp-DDT;MW:354.49
 +
 <30,Ph,6:/Cl, at 3,\,/CCl3,!,Ph,-3:/Cl
--------------------------------------------------------------------------------
-EN:Endrin;MW:380.91
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Endrin;MW:380.91
 +
 <30,?6`1.3,3=?6,6=dl,9=?3,-1:O,
   @2,210~wf`1.5,&5~wb, at 7,210~zf`1.5,&10~zb,{1,2,5,6,12^-210,12^-150}:/Cl
--------------------------------------------------------------------------------
-EN:Acrinathrin;MW:541.45
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Acrinathrin;MW:541.45
 +
 <-30,?3,2^-35:*/_,2^35:/*_,
  @1,\,!~dl,!,//O,!,O,!,/CF3,!,CF3, at 3,\,//O,!,O,!,/CN,!,Ph, at -4,\,O,-60,Ph
--------------------------------------------------------------------------------
-EN:Cafenstrole;MW:350.4
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Cafenstrole;MW:350.4
 +
 <30,Ph,{2,4,6}:/_, at 3,\,SOO,!,|,?5,{2,5}=dl,{2,4,5}:N, at -2,\,//O,!,N,/!,!2
--------------------------------------------------------------------------------
-EN:Carfentrazone-ethyl;MW:412.19
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Carfentrazone-ethyl;MW:412.19
 +
 <30,Ph,4:/F,6:/Cl, at 1,\,!,/Cl,!,//O,!,O,!2,
   @3,\,|,?5,4=dl,{1,3,5}:N,-4://O,-3:/CF2,-2:/_
--------------------------------------------------------------------------------
-EN:Carboxin;MW:235.301
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Carboxin;MW:235.301
 +
 <30,?6,3=dl,2:S,5:O,4:/_, at 3,\,//O,!,NH,!,Ph
--------------------------------------------------------------------------------
-EN:Clomazone;MW:239.7
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Clomazone;MW:239.7
 +
 <30,Ph,2:/Cl, at 3,\,!,|,?5,1:N,2:O,-2^-35:/_,-2^35:/_,-1://O
--------------------------------------------------------------------------------
-EN:Halfenprox;MW:477.4
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Halfenprox;MW:477.4
 +
 <30,Ph, at 6,\,O,!,/F^35,/F^-35,!,Br, at 3,\,!,??,!,O,!,!,Ph, at -2,\,O,60,Ph
--------------------------------------------------------------------------------
-EN:Paraquat;MW:257.16
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Paraquat;MW:257.16
 +
 Ph, at 4,\,Ph,{1,10}:N!,1:p_^-90,10:p_^90,@(5,1),Cl,n_^15,@(-0.5,1),Cl,n_^15
--------------------------------------------------------------------------------
-EN:Picolinafen;MW:376.331
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Picolinafen;MW:376.331
 +
 <30,Ph,5:/CF3, at 3,\,O,!,|,Ph,2:N, at 3,\,//O,!,NH,!,|,Ph,4:/F
--------------------------------------------------------------------------------
-EN:Quinoxyfen;MW:308.13
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Quinoxyfen;MW:308.13
 +
 <30,Ph,4=Ph,10:N,{2,6}:/Cl, at 7,\,O,!,|,Ph,4:/F
--------------------------------------------------------------------------------
-EN:Quitozene;MW:295.3
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Quitozene;MW:295.3
 +
 <30,Ph,{1,2,3,4,6}:/Cl,5:/NO2
--------------------------------------------------------------------------------
-EN:Bitertanol;MW:337.4
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Bitertanol;MW:337.4
 +
 <30,Ph, at 3,\,Ph, at -3,\,O,!2,/OH,!,??!, at 14,\,|,?5,{2,4}=dl,{1,2,4}:N
--------------------------------------------------------------------------------
-EN:Bifenox;MW:342.14
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Bifenox;MW:342.14
 +
 <30,Ph,{4,6}:/Cl, at 3,\,O,!,Ph,-4:/COO!,-3:/NO2
--------------------------------------------------------------------------------
-EN:Simeconazole;MW:293.417
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Simeconazole;MW:293.417
 +
 <36,?5,{1,3,5}:N,{1,4}=dl, at 3,30,!,/OH^30,!2,Si,/_,/_^60,!, at 7,-30,Ph,-3:/F
--------------------------------------------------------------------------------
-EN:Fenamidone;MW:311.403
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Fenamidone;MW:311.403
 +
 <18,?5,4=dl,{3,5}:N,2://O, at 3,\,NH,!,Ph,4:/S!,1^52:*/_,1^-48~zf:/Ph
--------------------------------------------------------------------------------
-EN:Fenpyroximate;MW:421.49
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Fenpyroximate;MW:421.49
 +
 <-6,?5,{3,5}=db,{1,2}:N,{2,5}:/Me, at 3,\^-15,O,!,Ph,
  @4,\,!~dr,N,!,O,!2,|,Ph, at 4,\,//O,-60,O,!4
--------------------------------------------------------------------------------
-EN:Chlorsulron;MW:380.648
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Chlorsulron;MW:380.648
 +
 <30,Ph,6:/NH2, at 1,\,SOO,!,NH2, at 3,\,SOO,!,NH2, at 4,\,/Cl,60~dl,/Cl,!,Cl
--------------------------------------------------------------------------------
-EN:Enrofloxacin;MW:359.401
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Enrofloxacin;MW:359.401
 +
 <30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O, at 1,\,|,?6,1:N,4:N,4:/!
--------------------------------------------------------------------------------
-EN:Fenitrothion;MW:277.23
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Fenitrothion;MW:277.23
 +
 <-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,3:/_,2:/NO2
--------------------------------------------------------------------------------
-EN:Fipronil;MW:437.2
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Fipronil;MW:437.2
 +
 <30,Ph,{2,4}:/Cl,6:/CF3, at 3,\,|,?5,{2,4}=dl,{1,2}:N,3:/CN,5:/NH2,
   @-2,\,S,//O,!,CF3
--------------------------------------------------------------------------------
-EN:Flumequine;MW:261.225
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Flumequine;MW:261.225
 +
 <30,Ph,3=?6,(2,7)=?6[4],9=dl,7:N,6:/F,9:/COOH,10://O,13:/_
--------------------------------------------------------------------------------
-EN:Imazalil;MW:297.2
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Imazalil;MW:297.2
 +
 <-30,!2,O,!2,!~dr, at 1,60,|,?5,{2,4}=dl,{1,3}:N,@$2,\,|,Ph,{4,6}:/Cl
--------------------------------------------------------------------------------
-EN:Imidacloprid;MW:255.662
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Imidacloprid;MW:255.662
 +
 <30,Ph,1:N,6:/Cl, at 3,\,!,|,?5,2=dl,1:N,3:N,2:/'(NH,!,NO2)
--------------------------------------------------------------------------------
-EN:Kresoxim-Methyl;MW:313.348
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Kresoxim-Methyl;MW:313.348
 +
 <30,Ph, at 3,\,/COO!,!~dr,N,!,O,!, at 4,\,!,O,!,Ph,-1:/_
--------------------------------------------------------------------------------
-EN:Nalidixic acid;MW:232.239
++------------------------------------------------------------------------------
+Cat:antibacterial;EN:Nalidixic acid;MW:232.239
 +
 <30,Ph,3=?6,9=dl,5:N,6:/_,7://O,8:/COOH,10:N!2
--------------------------------------------------------------------------------
-EN:Oryzalin;MW:346.4
++------------------------------------------------------------------------------
+Cat:antibacterial;EN:Oryzalin;MW:346.4
 +
 <30,Ph,{1,3}:/NO2, at 5,\,SOO,!,NH2, at 2,\,/!2,N,!3
--------------------------------------------------------------------------------
-EN:Oxadiazon;MW:345.2
++------------------------------------------------------------------------------
+Cat:antibacterial;EN:Oxadiazon;MW:345.2
 +
 <30,Ph,{4,6}:/Cl,1:/O!?!, at 3,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!
--------------------------------------------------------------------------------
-EN:Oxadixyl;MW:278.3
++------------------------------------------------------------------------------
+Cat:antibacterial;EN:Oxadixyl;MW:278.3
 +
 <30,Ph,{2,4}:/_, at 3,\,N,!1,//O,!2,O,!, at 7,\,|,?5,1:N,2:O,5://O
--------------------------------------------------------------------------------
-EN:Oxyfluorfen;MW:361.701
++------------------------------------------------------------------------------
+Cat:antibacterial;EN:Oxyfluorfen;MW:361.701
 +
 <30,Ph,6:/CF3,4:/Cl, at 3,\,O,!,Ph,-3:/NO2, at -4,\,O,!2
--------------------------------------------------------------------------------
-EN:Sulfadimidine;MW:278.33
++------------------------------------------------------------------------------
+Cat:antibacterial;EN:Sulfadimidine;MW:278.33
 +
 <30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{2,4}:N,{3,5}:/_
--------------------------------------------------------------------------------
-EN:Sulfamerazine;MW:264.303
++------------------------------------------------------------------------------
+Cat:antibacterial;EN:Sulfamerazine;MW:264.303
 +
 <30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{2,6}:N,3:/_
--------------------------------------------------------------------------------
-EN:Sulfadoxine;MW:310.328
++------------------------------------------------------------------------------
+Cat:antibacterial;EN:Sulfadoxine;MW:310.328
 +
 <30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,Ph,{4,6}:N,{2,3}:/O!
--------------------------------------------------------------------------------
-EN:Sulfamethoxazole;MW:253.276
++------------------------------------------------------------------------------
+Cat:antibacterial;EN:Sulfamethoxazole;MW:253.276
 +
 <30,Ph,1:/NH2, at 4,\,SOO,!,NH,!,|,?5,{2,5}=dl,4:O,5:N,3:/_
--------------------------------------------------------------------------------
-EN:Thiamethoxam;MW:291.71
++------------------------------------------------------------------------------
+Cat:antibacterial;EN:Thiamethoxam;MW:291.71
 +
 <30,?6,4:N,2:O,6:N!,5://'(N,!,NO2), at 4,\,!,|,?5,{1,3}=dl,3:N,5:S,4:/Cl
--------------------------------------------------------------------------------
-EN:Thiamphenicol;MW:355
++------------------------------------------------------------------------------
+Cat:antibacterial;EN:Thiamphenicol;MW:355
 +
 <30,Ph, at 1,\,SOO,!, at 4,\,/OH,!,/!OH,!`1.1,NH,!`1.1,//O,!,/Cl,!,Cl
--------------------------------------------------------------------------------
-EN:Pyridaphenthion;MW:340.334
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Pyridaphenthion;MW:340.334
 +
 <30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,?6,{1,5}=dl,{2,3}:N,4://O,3:/Ph
--------------------------------------------------------------------------------
-EN:Permethrin;MW:391.288
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Permethrin;MW:391.288
 +
 <-30,?3,2^-35:*/_,2^35:/*_,1:/'(!!,/Cl,!,Cl), at 3,\,//O,!,O,!2,|,Ph, at 3,\,O,-60,Ph
--------------------------------------------------------------------------------
-EN:Isoprothiolane;MW:290.392
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Isoprothiolane;MW:290.392
 +
 <-30,!,?!,O,!,//O,!,//'(?5,2:S,5:S),!,//O,!,O,!,?!
--------------------------------------------------------------------------------
-EN:Oxine-Copper;MW:351.852
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Oxine-Copper;MW:351.852
 +
 Ph,4:N,5=Ph, at -4,\,O,-60,<90,Cu,-90,O,60,|,Ph,5=Ph,10:N,||, at 4,&12~vf, at 23,&12~vf
--------------------------------------------------------------------------------
-EN:Tetraconazole;MW:372.145
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Tetraconazole;MW:372.145
 +
 <-6,?5,{2,5}=dl,{1,2,4}:N, at 4,\,!3,O,!,/F^35,/F^-35,!,CF2, at 7,\,|,Ph,{4,6}:/Cl
--------------------------------------------------------------------------------
-EN:Endosulfan;MW:406.904
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Endosulfan;MW:406.904
 +
 <26,?7,7=?6[13], at 11,208~wf`1.45,&8~wb,10=dl,{3,5}:O,4:S,4://O,
   {8,9,10,11,12^-210,12^-150}:/Cl
--------------------------------------------------------------------------------
-EN:Uniconazole-P;MW:291.779
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Uniconazole-P;MW:291.779
 +
 <30,Ph,6:/Cl, at 3,\,!~dl,!,/OH,!,??!, at 8,\,|,?5,{2,4}=dl,{1,2,4}:N
--------------------------------------------------------------------------------
-EN:Oxadiargyl;MW:341.19
++------------------------------------------------------------------------------
+Cat:antibacterial;EN:Oxadiargyl;MW:341.19
 +
 <30,Ph,{1,3}:/Cl,6:/'(O,!2,!!!), at 4,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!
--------------------------------------------------------------------------------
-EN:Oxaziclomefone;MW:376.277
++------------------------------------------------------------------------------
+Cat:antibacterial;EN:Oxaziclomefone;MW:376.277
 +
 <30,?6,6=dl,4:N,2:O,1:/_,5://O,6:/Ph, at 4,\,??,!,|,Ph,{3,5}:/Cl
--------------------------------------------------------------------------------
-EN:Trimetoprim;MW:290.323
++------------------------------------------------------------------------------
+Cat:antibacterial;EN:Trimetoprim;MW:290.323
 +
 <30,Ph,{1,5}:N,{2,6}:/NH2, at 3,\,!,|,Ph,{3,4,5}:/O!
--------------------------------------------------------------------------------
-EN:Ciprofloxacin;MW:331.347
++------------------------------------------------------------------------------
+Cat:antibacterial;EN:Ciprofloxacin;MW:331.347
 +
 <30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O, at 1,\,|,?6,1:N,4:NH
--------------------------------------------------------------------------------
-EN:Danofloxacin;MW:357.385
++------------------------------------------------------------------------------
+Cat:antibacterial;EN:Danofloxacin;MW:357.385
 +
 <30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O,
  @1,\,|,?6, at 2,-200`1.1,&5,{1,4}:N,4:*/_
--------------------------------------------------------------------------------
-EN:Marbofloxacin;MW:362.361
++------------------------------------------------------------------------------
+Cat:pesticide;EN:Marbofloxacin;MW:362.361
 +
 <30,Ph,3=?6,9=dl,(2,7)=?6[4],6:/F,7:N,11:O,9:/COOH,10://O,13:N!,
  @1,\,|,?6,1:N,4:N!
--------------------------------------------------------------------------------
-EN:Ofloxacin;MW:361.373
++------------------------------------------------------------------------------
+Cat:antibacterial;EN:Ofloxacin;MW:361.373
 +
 <30,Ph,3=?6,(2,7)=?6[4],9=dl,7:N,11:O,6:/F,9:/COOH,10://O,13:/_,
  @1,\,|,?6,{1,4}:N,4:/_
--------------------------------------------------------------------------------
-EN:Ormetoprim;MW:274.324
++------------------------------------------------------------------------------
+Cat:antibacterial;EN:Ormetoprim;MW:274.324
 +
 <30,Ph,{1,5}:N,{2,6}:/NH2, at 3,\,!,|,Ph,2:/_,{4,5}:/O!
--------------------------------------------------------------------------------
-EN:Amoxicillin;MW:365.4042
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Amoxicillin;MW:365.4042
 +
 <45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
  @4,*\^15,NH,!,//O,!,*/NH2,!,Ph,-3:/OH
--------------------------------------------------------------------------------
-EN:Ampicillin;MW:349.405
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Ampicillin;MW:349.405
 +
 <45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??, 
  @4,*\^15,NH,!,//O,!,/*NH2,!,Ph       
--------------------------------------------------------------------------------
-EN:Benzyl-Penicillin;MW:334.4
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Benzyl-Penicillin;MW:334.4
 +
 <45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
  @4,*\^15,NH,!,//O,!,!,Ph
--------------------------------------------------------------------------------
-EN:Mecillinam;MW:325.4264
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Mecillinam;MW:325.4264
 +
 <45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
  @4,*\^15,N,!!,!,?7,-7:N
--------------------------------------------------------------------------------
-EN:Nafcillin;MW:414.4748
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Nafcillin;MW:414.4748
 +
 <45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
  @4,*\^15,NH,!,//O,!,Ph,-2=Ph,-9:/O!2  
--------------------------------------------------------------------------------
-EN:Oxacillin;MW:401.4363
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Oxacillin;MW:401.4363
 +
 <45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
  @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_, at -1,\^-24,Ph
--------------------------------------------------------------------------------
-EN:Cloxacillin;MW:435.8813
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Cloxacillin;MW:435.8813
 +
 <45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
   @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_, at -1,\^-24,Ph,-5:/Cl
--------------------------------------------------------------------------------
-EN:Dicloxacillin;MW:470.3264
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Dicloxacillin;MW:470.3264
 +
 <45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
   @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_,
   @-1,\^-24,Ph,{-1,-5}:/Cl
--------------------------------------------------------------------------------
-EN:Cefalexin;MW:347.3889
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Cefalexin;MW:347.3889
 +
 <45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,6:/_,
  @4,*\^15,NH,!,//O,!,*/NH2,!,Ph
--------------------------------------------------------------------------------
-EN:Cefalonium;MW:458.5107
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Cefalonium;MW:458.5107
 +
 <45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15, at 5,\*,//O,!,O,n_^40,
   @4,*\^15,NH,!,//O,!2,?5,{-1,-3}=dl,-4:S,
   @6,\,!,|,Ph,1:N,1:p_^180, at 4,\,//O,!,NH2
--------------------------------------------------------------------------------
-EN:Cefazorin;MW:454.51
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Cefazorin;MW:454.51
 +
 <45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,
   @4,*\^15,NH,!,//O,!2,?5,{-2,-4}=dl,{-1,-2,-3,-5}:N,
   @6,\,!,S,!,?5,{-3,-5}=dl,-1:S,-2:/_,{-3,-4}:N
--------------------------------------------------------------------------------
-EN:Cefquinome;MW:528.6
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Cefquinome;MW:528.6
 +
 <45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15, at 5,\*,//O,!,O,n_^40,
   @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2,
   @6,\,!,Ph,-2=?6,-10:N,-10:p_^180
--------------------------------------------------------------------------------
-EN:Ceftiofur;MW:523.5626
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Ceftiofur;MW:523.5626
 +
 <45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,
   @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2,
   @6,\,!,S,!,//O,!,?5,{-1,-3}=dl,-4:O
--------------------------------------------------------------------------------
-EN:Cefuroxime;MW:424.3852
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Cefuroxime;MW:424.3852
 +
 <45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,
   @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-1,-3}=dl,-4:O, at 6,\,!,O,!,//O,!,NH2
--------------------------------------------------------------------------------
-EN:Apramycin;MW:539.58
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Apramycin;MW:539.58
 +
 <30,?6,-4=?6,{2,10}:O, at 1,\*,O,60~zb,?6, at 9,\*,O,-60~zb,?6,-5:O,
   {7,13,-2}:*/OH,{14,-1}:/*OH,{15,17}:*/NH2,{6,-3}:/*NH2,8:*/NH!>vt,
   -4:*/!OH,3:/*H^-60`.75,4:*/H^60`.75
--------------------------------------------------------------------------------
-EN:Gentamycin;MW:477.596
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Gentamycin;MW:477.596
 +
 <-30,?6, at 1,\*,O,0~zb,?6,-5:O, at 5,\*,O,0~zb,?6,-5:O,{2,4}:*/NH2,20:/*NH2,6:*/OH,
   11:*/OH^-35,11:/*_^35,12:*/NH!,13:/*OH,17:/'(*/_,!NH!)
--------------------------------------------------------------------------------
-EN:Kanamycin;MW:484.499
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Kanamycin;MW:484.499
 +
 <-30,?6, at 1,\*,O,0~zb,?6,-5:O, at 5,\,O,0,?6,-5:O,
   {2,4,12}:*/NH2,{6,19}:*/OH,{11,13,18,20}:/*OH,10:*/!OH,17:*/!NH2
--------------------------------------------------------------------------------
-EN:DihydroStreptmycin;MW:583.574
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:DihydroStreptmycin;MW:583.574
 +
 <54,?5,3:O,4:/*_,5:/!OH^-48,5:/*OH^35, at 1,\*,O,-24~wb,?6,-5:O, at 2,*\,O,24~zb,?6,
   {10,15}:*/OH,{11,16,18}:/*OH,9:/*!OH,12:*/NH!,
   @17,*\^-18,NH,!,//NH,!,NH2, at 19,*\,NH,!,//NH,!,NH2
--------------------------------------------------------------------------------
-EN:Fradiomycin;MW:614.644
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Fradiomycin;MW:614.644
 +
 <30,?6,3:O,2:/*!NH2,1:*/OH,6:/*OH,5:*/NH2,
   @4,*\,O,!~wb,?6,{-3,-5^15}:/*NH2,-2:*/OH^-15,
   @-1,\*,O,-72~wb,?5,-4:O,-1:/*OH>vt,-3:*/!OH>vt,
   @-2,\*^-24,O,-60~zb,?6,-5:O,-1:/*NH2,-2:*/OH,-3:/*OH,-4:/*!NH2>60
--------------------------------------------------------------------------------
-EN:Streptmycin;MW:581.574
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Streptmycin;MW:581.574
 +
 <54,?5,3:O,4:/*_,5:/OH^35, at 1,\*,O,-24~wb,?6,-5:O, at 2,*\,O,24~zb,?6,
   @5,\^-48,!!,O,{10,15}:*/OH,{11,16,18}:/*OH,9:/*!OH,12:*/NH!,
   @17,*\^-18,NH,!,//NH,!,NH2, at 19,*\,NH,!,//NH,!,NH2
--------------------------------------------------------------------------------
-EN:Neospiramycin;MW:698.9
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Neospiramycin;MW:698.9
 +
 <-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
   {12,14}=dl,2:O,1:/*_,5:/*OH,3://O,10:/*_,6:/*O!>vt,
   @-6,\*,O,!~wb,?6`.7,-5:O,-3:/*N?!,-4:*/_,
   @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_,-3:/*OH, at 8,\*,!,!!,O
--------------------------------------------------------------------------------
-EN:Emamectine;MW:886.133
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Emamectine;MW:886.133
 +
 <24,?6,6=?5,3=dl,9:O,2:*/OH,3:/_,6:/*OH^-60,
   @5,#1.04,6,//O,-60,O,60~wb,60,-60,60~wf,60,-60,60,60,60,-60,60,##,&7,
@@ -509,8 +509,8 @@
   {-1,-6}:O,-3:*/_, at -2,\,*/_,!2,
   17:/_,19:/*_, at 18,\,O,!,?6`.8,-1:O,-2:*/_,-4:*/O!,
   @-3,\,O,60,?6`.8,-5:O,-4:*/_,-3:/*NH!,-2:*/O!
--------------------------------------------------------------------------------
-EN:Spinosad;MW:731.968
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Spinosad;MW:731.968
 +
 <30,#1,<-120,60,60,-60,60,60,60,-60,60,60,60,-60,&1,##,
  5=?5,-1=dl,{-2^60,-3^-35}:/*H,-3=?6,-4=dl,
@@ -517,8 +517,8 @@
  {-1^35}:*/H,{-2^-60}:/*H,-2=?5,2:O,{3^25,7^-25}://O,1:/!,
  @-2,\~zf,O,66,?6`.8,-1:O,-2:/_,{-3,-4,-5}:/O!,8~wf:/Me,5^-65~wf:/H,
  @9,\~zf,O,!,|,?6`.8,2:O,3:/_,-3:/N?!
--------------------------------------------------------------------------------
-EN:Spiramycin;MW:843.1
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Spiramycin;MW:843.1
 +
 <-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
  {12,14}=dl,2:O,{1,10^-30}:/*_,5:/*OH,3://O,6:/*O!>vt,
@@ -526,8 +526,8 @@
  @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_,
    @-3,\*`1,O,60~wb`1.5,?6`.7,-5:O,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_,
  @8,\*,!,!!,O
--------------------------------------------------------------------------------
-EN:Natamycin;MW:665.733
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Natamycin;MW:665.733
 +
 <-90,#1,60,60,-60,60,-60,60,-60,60,-60,60,60,60,O,-60,
  60,60,-60,60,-60,60,-60,60,60,-60,&1,(12,13)=?6[4],##,
@@ -534,8 +534,8 @@
  {2,4,6,8,20}=dl,11=zb,23:O,-2:/*OH,-3:*/COOH,
  18=?3,-1=wb,-2=wf,-1:O,22://O,24:*/_,{14^60,16}:*/OH,
  @10,*\,O,90,?6`.8,-3:*/OH,-5:/*OH,-4:/*NH2,-1:O,-2:/*_
--------------------------------------------------------------------------------
-EN:Tylocin;MW:916.10
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Tylocin;MW:916.10
 +
 <-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
  {12,14}=dl,2:O,1:/*!,5:/*OH,3://O,10:/*_,6:/*_,-6://O,-3:/_,
@@ -543,8 +543,8 @@
  @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_,
    @-3,\*`1,O,60~wb`1.5,?6`.7,-5:O,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_,
  @8,\*,!,!!,O
--------------------------------------------------------------------------------
-EN:Tilmicosin;MW:869.133
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Tilmicosin;MW:869.133
 +
 <-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
  {12,14}=dl,2:O,1:/*!,5:/*OH,{3,11}://O,{6,10}:/*_,14:/_,
@@ -551,34 +551,34 @@
  @-1,*\,-60,O,0~zb,?6`.7,-5:O,{-1,-2}:*/O!,-3:*/OH,-4:/*_,
  @7,\*,O,0,?6`.7,-5:O,-2:*/N?!,{-1,-3}:/*OH,-4:*/_,
  @8,\*,!2,?6`.7,-6:N,{-2,-4}:*/_
--------------------------------------------------------------------------------
-EN:Chlortetracyclin;MW:478.88
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Chlortetracyclin;MW:478.88
 +
 <30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,2:/Cl,
  {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2
--------------------------------------------------------------------------------
-EN:Oxytetracyclin;MW:460.434
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Oxytetracyclin;MW:460.434
 +
 <30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,11:*/OH,
 {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2
--------------------------------------------------------------------------------
-EN:Tetracyclin;MW:444.435
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Tetracyclin;MW:444.435
 +
 <30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,
  {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2
--------------------------------------------------------------------------------
-EN:Doxycyclin;MW:444.43
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Doxycyclin;MW:444.43
 +
 <30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_,
  {5,13~wf^60,11~wf,14,16}:/OH,15:*/N?!, at 17,\,//O,!,NH2
--------------------------------------------------------------------------------
-EN:Tiamulin;MW:493.74
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Tiamulin;MW:493.74
 +
 <-45.5,?8,-3=?5, at 8,#.8,-210~zf,/_^60,45,56,##,&6~zb,
  {3^-45,5,8}:*/_, at 3,\*^30,!~dl,4:/*OH,11://O,7:*/H^60,
  @1,\^15,O,!,//O,!2,S,60,60,-60,N!2,60,-60
--------------------------------------------------------------------------------
-EN:Rifampicin;MW:822.94
++------------------------------------------------------------------------------
+Cat:antibiotics;EN:Rifampicin;MW:822.94
 +
 <30,Ph,6:/_^30,5:/OH,|,-6=?5,1:O,3://O,2:/*_^60,|,-8=?6,{2,4}=dl,{1,4}:/OH,
  #1, at -2,\,NH,60,//O,-60,/_,60~dl,60,60~dl,-60,
@@ -585,166 +585,166 @@
  */_,60,/*OH,-60,/*_,60,/*OH,60,*/_^30,-60,
  60,/*_^30,-53,66,-53~dl,66`1.2,O,##,&($8),
  -4:/*O!, at -6,-30,O,!,//O,!,@$11,\,!!,N,!,|,?6,1:N,4:N!
--------------------------------------------------------------------------------
-EN:Trenbolone;MW:270.37
++------------------------------------------------------------------------------
+Cat:biological;EN:Trenbolone;MW:270.37
 +
 <30,?6,{3,10}=?6,13=?5,{2,11,15}=dl,1://O,12:*/_^60,-1:/*OH,9:*/H^60,11:/*H^-60
--------------------------------------------------------------------------------
-EN:Luciferin;MW:280.33
++------------------------------------------------------------------------------
+Cat:biological;EN:Luciferin;MW:280.33
 +
 <30,Ph,3=?5, at 8,\,?5,{9,16}=dl,{9,14}:N,{7,11}:S,1:/OH,-2:*/COOH
--------------------------------------------------------------------------------
-EN:Chlorophyll a;MW:893.509
++------------------------------------------------------------------------------
+Cat:biological;EN:Chlorophyll a;MW:893.509
 +
 <-36,#1,?5, at 3,\,54,?5, at -2,\,54,?5, at -2,\,54,?5, at -2,\,&5, at 6,22,70,&8,##,
  {4,6,8,10,14,16,18,21,23,27}=dl, at 4,\`1.48~vf,Mg,&17~vb, at 11,&27, at 27,&23,
  {4,11,17,23}:N,{1~zf,9,15,21}:/_,14:/!,20:/!!,25:/*COO!,26://O,
  @2,*\^-6,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_
--------------------------------------------------------------------------------
-EN:Quercetin;MW:302.24
++------------------------------------------------------------------------------
+Cat:biological;EN:Quercetin;MW:302.24
 +
 <30,Ph,3=?6, at 9,\,Ph,9=dl,10:O,7://O,{2,6,8,13,14}:/OH
--------------------------------------------------------------------------------
-EN:Limonin;MW:470.518
++------------------------------------------------------------------------------
+Cat:biological;EN:Limonin;MW:470.518
 +
 <30,?6,{-3,-4}=?6,-5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf,{13,15,17,20}:O,
  {3,12,21}://O,{4~wf^60,8~zf^60}:/_,18:??,{1^60,5^180,16^60}:/*H,
  @14,\*,|,?5,{1,4}=dl,3:O
--------------------------------------------------------------------------------
-EN:Cromolyn;MW:468.37
++------------------------------------------------------------------------------
+Cat:biological;EN:Cromolyn;MW:468.37
 +
 <30,Ph,|,-1=?6,3=dl,1:O,4://O,2:/COOH,
 @$2,\,O,!2,/OH,!2,O,60,Ph,|,-5=?6,3=dl,4:O,1://O,3:/COOH
--------------------------------------------------------------------------------
-EN:Emetine;MW:480.649
++------------------------------------------------------------------------------
+Cat:biological;EN:Emetine;MW:480.649
 +
 <30,Ph,{-4,-4}=?6,8:N,{1,6}:/O!,-2:/*!,{7^-60,12^-60}:/*H,             
 @-3,\,!~zb,<-60,|,?6,5=dl,2:NH,-6^-60:*/H,|,-2=?6,{2,4}=dl,{-2,-3}:/O! 
--------------------------------------------------------------------------------
-EN:Acronycine;MW:321.376
++------------------------------------------------------------------------------
+Cat:biological;EN:Acronycine;MW:321.376
 +
 <30,Ph,|,-4=?6,1:N!,4://O,-3=Ph2,-1:/O!,|,-4=?6,2=dl,4:O,3:??
--------------------------------------------------------------------------------
-EN:Piperine;MW:285.343
++------------------------------------------------------------------------------
+Cat:biological;EN:Piperine;MW:285.343
 +
 <30,Ph,|,-1=?5,{1,3}:O,@$4,\,!!,!,!!,!,//O,!,|,?6,1:N
--------------------------------------------------------------------------------
-EN:Febrifugine;MW:301.346
++------------------------------------------------------------------------------
+Cat:biological;EN:Febrifugine;MW:301.346
 +
 <30,Ph,|,-4=?6,2=dl,{1,3}:N,4://O,@$9,\,!,//O,!,!~zf,|,?6,2:NH,-1:*/OH
--------------------------------------------------------------------------------
-EN:Mitomycine C;MW:334.332
++------------------------------------------------------------------------------
+Cat:biological;EN:Mitomycine C;MW:334.332
 +
 <30,?6,{3,6}=dl,{2,5}://O,1:/_,-4=?5,-3:N,
 6:/NH2,,-3=?5,-2=?3,-1=wb,-2=wf,-1:NH,8:/*O!^35,@$9,\,!,O,60,//O,!,NH2
--------------------------------------------------------------------------------
-EN:Podophyllotoxin;MW:414.41
++------------------------------------------------------------------------------
+Cat:biological;EN:Podophyllotoxin;MW:414.41
 +
 <0,?5,{2,5}:O,-3=Ph2,-3=?6,-3=?5,-2:O,-1=wb,-3://O,       
 @10,\*,Ph,{-2,-3,-4}:/O!,13:/*OH,{11~wf^-60,12~zf^60}:/H  
--------------------------------------------------------------------------------
-EN:Warfarin;MW:308.333
++------------------------------------------------------------------------------
+Cat:biological;EN:Warfarin;MW:308.333
 +
 <30,Ph,3=?6,8=dl,10:O,7:/OH,9://O, at 8,\,/Ph`1,60,!,//O,!
--------------------------------------------------------------------------------
-EN:Genistein;MW:270.24
++------------------------------------------------------------------------------
+Cat:biological;EN:Genistein;MW:270.24
 +
 <30,Ph,3=?6,9=dl,10:O,{2,6}:/OH,7://O, at 8,\,Ph,-3:/OH
--------------------------------------------------------------------------------
-EN:Baicalein;MW:270.24
++------------------------------------------------------------------------------
+Cat:biological;EN:Baicalein;MW:270.24
 +
 <30,Ph,3=?6,9=dl,10:O,{1,2,6}:/OH,7://O, at 8,\,Ph
--------------------------------------------------------------------------------
-EN:Reserpine;MW:608.688
++------------------------------------------------------------------------------
+Cat:biological;EN:Reserpine;MW:608.688
 +
 <54,Ph,-4=?5,-2=?6,-4=?6,-3=?6,9=dl,11:N,7:NH,10:*/H^-60,{15^-60,16^60}:/*H,                       
 @20,*\,O,!,//O,!,Ph,{-2,-3,-4}:/O!,{1,19~zf>rl}:/O!,18:*/COO!>lr  
--------------------------------------------------------------------------------
-EN:Rotenone;MW:394.423
++------------------------------------------------------------------------------
+Cat:biological;EN:Rotenone;MW:394.423
 +
 <-60,?5,{-3,-2,-3,-4}=?6,{7,9,-2,-4}=dl,{3,17}=dr,            
 {2,13,16}:O,10://O,{11^-60,12^60}:*/H,{-2,-3}:/O!, at 1,*\,/_,!! 
--------------------------------------------------------------------------------
-EN:Pyrethrin I;MW:328.452
++------------------------------------------------------------------------------
+Cat:biological;EN:Pyrethrin I;MW:328.452
 +
 <30,?3,{3^35~wf,3^-35~zf}:/_, at 1,*\,!!,?!,
 @2,\*,//O,!,O,-36~zb,|,?5,-2=dl,-1:/_,-3://O, at -2,\,!4,{-1,-3}=dl
--------------------------------------------------------------------------------
-EN:Oseltamivir;MW:312.40
++------------------------------------------------------------------------------
+Cat:biological;EN:Oseltamivir;MW:312.40
 +
 <30,?6,3=dl,6:*/NH2, at 1,\*,NH,!,//O,!, at 2,*\,O,!,/!,!2, at 4,\,//O,!,O,!2
--------------------------------------------------------------------------------
-EN:Paclitaxel;MW:853.918
++------------------------------------------------------------------------------
+Cat:biological;EN:Paclitaxel;MW:853.918
 +
 ?6,5=dl, at 3,#1,36,45,45,45,45,##,&5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O,
 4:??,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:*/OCO!>rl,12:/*OCO!^-15>lr
--------------------------------------------------------------------------------
-EN:Mevastatin;MW:390.52
++------------------------------------------------------------------------------
+Cat:biological;EN:Mevastatin;MW:390.52
 +
 <30,?6,2=dl,4:*/H^60,-4=?6,-4=dl,9:*/_,                      
 @10,*\,!,60~wb,?6,6:O,-2://O,-4:/*OH, at 5,\*,O,60,//O,!,*/_,!2 
--------------------------------------------------------------------------------
-EN:Sesamine;MW:354.35
++------------------------------------------------------------------------------
+Cat:biological;EN:Sesamine;MW:354.35
 +
 <54,?5,1=?5,{4,7}:O,{1^-54,2^54}:*/H,{5,8}:*/'(Ph,4=?5,7:O,9:O)^-12
--------------------------------------------------------------------------------
-EN:Morphine;MW:285.343
++------------------------------------------------------------------------------
+Cat:biological;EN:Morphine;MW:285.343
 +
 <30,Ph,2=?6,-4=?6,(1,12)=?5[2],-1:O,-1=zb,
  @7,60~wf`0.75,70~si_`1.3,45,N!,&9~wb,15=dl,6:/OH,8^180:*/H,12:/*OH
--------------------------------------------------------------------------------
-EN:Quinine;MW:324.424
++------------------------------------------------------------------------------
+Cat:biological;EN:Quinine;MW:324.424
 +
 <30,Ph,3=Ph,7:N,6:/O!,
 @10,\,*/OH,/H~zf^-60,!,|,?6,2:N,1:*/H^60, at 4,*\,!!, at 2,165~zf,60,&5~zb
--------------------------------------------------------------------------------
-EN:Atoropin;MW:289.375
++------------------------------------------------------------------------------
+Cat:biological;EN:Atoropin;MW:289.375
 +
 <30,O,!,//O,!,!,Ph,@$1,\~zb^-60,|,?7`1.1, at 6,*\^190`1.25,N!,&3~wb,$3:/!OH~wv 
--------------------------------------------------------------------------------
-EN:Colchicine;MW:399.443
++------------------------------------------------------------------------------
+Cat:biological;EN:Colchicine;MW:399.443
 +
 <30,Ph,{1,2,6}:/O!,-4=?7,-5=?7,{-1,-4,-6}=dl,-2://O,-3:/O!,9:/NHCO!
--------------------------------------------------------------------------------
-EN:Lycorine;MW:287.315
++------------------------------------------------------------------------------
+Cat:biological;EN:Lycorine;MW:287.315
 +
 <30,Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3],13=dl,8:N,{15,17}:O,
 9:/*H^180,10:*/H^60,13:*/OH,14:/*OH
--------------------------------------------------------------------------------
-EN:Ibotenic acid;MW:158.113
++------------------------------------------------------------------------------
+Cat:biological;EN:Ibotenic acid;MW:158.113
 +
 <18,?5,4=dl,3:O,2:NH,1://O, at 4,-24,/NH2,!,COOH
--------------------------------------------------------------------------------
-EN:illudin S;MW:264.3
++------------------------------------------------------------------------------
+Cat:biological;EN:illudin S;MW:264.3
 +
 <30,?6,3=?5,6:**?3,{4,7}=dl,2://O,5:/_,
  {1^35,8^35}:*/_,1:/*OH^-35,9:*/OH,8:/*!OH^-35
--------------------------------------------------------------------------------
-EN:Muscarine;MW:174.26
++------------------------------------------------------------------------------
+Cat:biological;EN:Muscarine;MW:174.26
 +
 <18,?5,2:O,1:*/_,5:/*OH, at 3,*\,48,N,??,p_^180,!
--------------------------------------------------------------------------------
-EN:Psilocybin;MW:284.248
++------------------------------------------------------------------------------
+Cat:biological;EN:Psilocybin;MW:284.248
 +
 <30,Ph,3=?5,8=dl,9:NH, at 2,\,O,-60,P,//O^-45,/OH^45,90,OH, at 7,\,!,-60,N?!
--------------------------------------------------------------------------------
-EN:Tetrodotoxine;MW:319.27
++------------------------------------------------------------------------------
+Cat:biological;EN:Tetrodotoxine;MW:319.27
 +
 #1,<60,-90,60,-30`1.15,150,60,&1, at 3,-135,60,-30`1.15,150,&4,
 @10,\,O,60`1.33,60,&($3)~si_, at 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
--------------------------------------------------------------------------------
-EN:Aflatoxin B1;MW:312.27
++------------------------------------------------------------------------------
+Cat:biological;EN:Aflatoxin B1;MW:312.27
 +
 <30,Ph,6=?6,-2=?5,4=?5,-2=?5,{-2,10}=dl,{7,14,17}:O,
   2:/O!,{8,11}://O,{15^-54,16^54}:*/H
--------------------------------------------------------------------------------
++------------------------------------------------------------------------------
 %==============================================================================
 % other molecular data
 %==============================================================================
-EN:Vancomycin;MW:1449.25
+Cat:antibiotics;EN:Vancomycin;MW:1449.25
 +
 <-30,#1,!12,{1,3,12}=zf,7=wf,/H^-60,60,*/OH,60,
   Ph,-4:/Cl, at -3,\,O,!,Ph, at -4,\,O,!,Ph,-1^15:/Cl, at -3,\,/*OH,*/H^-60,&1,
@@ -754,8 +754,8 @@
   @10,*\^-60,60,//O,!,NH2, at 13,*\,NH,!,//O,!,/??!,*/H^60,!~zf,NH,!,
   @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
--------------------------------------------------------------------------------
-EN:Maitotoxin;MW:3425.86
++------------------------------------------------------------------------------
+Cat:biological;EN:Maitotoxin;MW:3425.86
 +
 <55.8,?6,-4=?7 ,{-4,-3,-3,-3}=?6, at -3,\,!3,?6,{-4,-3,-3,-3}=?6, at -3,\,?6,-3=?6,
   @-3,\,!3,60,<-30,?6,-3=?6, at -3,30,<30,?6,{-3,-3}=?6,-3=?7,{-4,-3,-3}=?6,
@@ -773,11 +773,11 @@
            @6,\,O,30,SOO,30,"O{Na}",
   @$36,-45~zf,O,30,SOO,30,"O{Na}",
   @$150,\,|,!7,{1,2}:/*OH,4:*/_,5:/*_,7=dl
--------------------------------------------------------------------------------
-EN:Okadaic acid;MW:805.00
++------------------------------------------------------------------------------
+Cat:biological;EN:Okadaic acid;MW:805.00
 +
 <30,?6, at 4,?6, at -4,\,!3,<-12,?5, at -3,<-12,?6,-3=?6, at -3,*\,!3,
   ?6, at -4,?6, at 6,\,!,/*Me^-40,*/OH^20,!,//O,!1,OH,
   3=wb,11=dl,15=dr,17=wf,19=wf,38=wb,{5,7,16,24,25,33,42}:O,
   32:*/H^60,10:/Me,{12,31}:*/_,27://_,37:/*_,28:/OH,{3,29}:/*OH
--------------------------------------------------------------------------------
++------------------------------------------------------------------------------

Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf	2021-04-18 20:18:42 UTC (rev 58903)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf	2021-04-18 20:19:06 UTC (rev 58904)
@@ -1,62 +1,50 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format for mcf_example.tex   by Akira Yamaji  2021.04.04
+% Molecular Coding Format for mcf_example.tex   by Akira Yamaji  2021.04.18
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf;   %%% it must be version 4.62
-message "* mcf_exa_soc 2021.04.04";
+input mcf2graph.mf;   %%% it must be version 4.63
+message "* mcf_exa_soc 2021.04.18";
 message "";
 %------------------------------------------------------------------------------
 fsize:=(35mm,24mm);
 max_blength:=4.5mm;
 %------------------------------------------------------------------------------
-%%%%sw_aux_out:=1;
 %%%%sw_fframe:=1;
-%%%%sw_aframe:=1;
-%%%%sw_mframe:=1;
-%%%%sw_expand:=1;
 tag1:="J"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW";
-%%%%tag5:="mi";
-%%%%tag6:="w1";
-%%%%tag7:="h1";
-%%%% sw_rep_out:=1;
-%%%% sw_mol_out:=1;
 %%%% atomfont:="uhvb8r";
 %%%% atomfont:="cmtt8";
-%%%% atomfont:="cmvtt10";
 %%%% outputformat:="png"; hppp:=vppp:=0.1; outputtemplate:="%j-%3c.png";
+%%ext(defaultfont:="uhvr8r"; defaultscale:=.6; label.lrt(inf_EN,(-2bp,1.5bp));)
 %------------------------------------------------------------------------------
-%%%% ext(nA:=10mm; pickup pencircle scaled 0.1pt;
-%%%%     draw(0,0)--(w,0)--(w,h)--(0,h)--cycle;
-%%%%     for i=nA step nA until w: draw(i,0)--(i,h); endfor
-%%%%     for i=nA step nA until h: draw(0,i)--(w,i); endfor );
-%------------------------------------------------------------------------------
-%%ext(defaultfont:="uhvr8r"; defaultscale:=.6; label.lrt(inf_EN,(-2bp,1.5bp));)
+if f_MP=0: input mcf_exa_soc-mf.aux; % (metafont) make aux file before typeset
+else:                                % mpost -s ahlength=7 mcf_exa_soc.mf
 %******************************************************************************
-beginfont("f:mcf_data_base","t:EN","v:Adenine")           % select EN=Adenine
+beginfont("f:mcf_data_base","t:EN","v:Adenine")         % select EN=Adenine
   if check(mc)=0: MC(scantokens(mc)) fi
 endfont
 %******************************************************************************
-beginfont("f:mcf_data_base","t:EN","v:Guanine")           % select EN=Guanine
+beginfont("f:mcf_data_base","t:EN","v:Guanine")         % select EN=Guanine
   if check(mc)=0: MC(scantokens(mc)) fi
 endfont
 %******************************************************************************
-beginfont("f:mcf_data_base","t:EN","v:Cytosine")          % select EN=Cytosine
+beginfont("f:mcf_data_base","t:EN","v:Cytosine")        % select EN=Cytosine
   if check(mc)=0: MC(scantokens(mc)) fi
 endfont
 %******************************************************************************
-beginfont("f:mcf_data_base","t:EN","v:Thymine")           % select EN=Thymine
+beginfont("f:mcf_data_base","t:EN","v:Thymine")         % select EN=Thymine
   if check(mc)=0: MC(scantokens(mc)) fi
 endfont
 %******************************************************************************
-sw_file_open:=1;                                          % keep file open
-%******************************************************************************
-beginfont("f:mcf_data_base","t:n","v:5")                  % v:5 select No.5
-  if check(mc)=0: MC(scantokens(mc)) fi
+beginfont("f+:mcf_data_base","t:n","v:5")               % 'f+'=keep file open
+  if check(mc)=0: MC(scantokens(mc)) fi                 % 'v:5' select No.5
 endfont
 %******************************************************************************
-for i=6 upto 155:                                         % No.6 - No.155
-  beginfont("f:mcf_data_base","t:n","v:0")                % v:0 no selection
-    if check(mc)=0: MC(scantokens(mc)) fi
-  endfont
+for i=6 upto 155:                                       % No.6 - No.155
+  beginfont("f+:mcf_data_base","v:*")                   % 'f+'=keep file open
+    if check(mc)=0: MC(scantokens(mc)) fi               % 'v:0' no selection
+  endfont                                               %
+  exitif f_EOF=1;                                       % exit if file end
 endfor
 %******************************************************************************
+fi
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 bye

Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
===================================================================
(Binary files differ)

Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex	2021-04-18 20:18:42 UTC (rev 58903)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex	2021-04-18 20:19:06 UTC (rev 58904)
@@ -1,5 +1,5 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF typeset by LaTeX   mcf_examples.tex   by A.Yamaji  2021.04.04
+% Example of MCF typeset by LaTeX   mcf_examples.tex   by A.Yamaji  2021.04.18
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \documentclass[a4paper]{article}
 \usepackage{graphicx}
@@ -8,6 +8,9 @@
 \edef\jobname{mcf_exa_soc}%
 \usepackage{mcf_setup}
 %--------------------------------
+\pdfpkresolution=1200
+%--------------------------------
+%%%%\edef\f at ext{pk}%
 \edef\f at ext{mps}%
 %--------------------------------
 \pagestyle{empty}

Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf	2021-04-18 20:18:42 UTC (rev 58903)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf	2021-04-18 20:19:06 UTC (rev 58904)
@@ -1,14 +1,12 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format file for mcf_manual.tex  by Akira.Yamaji 2021.04.04
+% Molecular Coding Format file for mcf_manual.tex  by Akira.Yamaji 2021.04.18
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf;   %% it must be version 4.62
+input mcf2graph.mf;   %% it must be version 4.63
 % ** use data base file 'mcf_data_base.mcf'
-message "mcf_man_soc 2021.04.04"; message "";
+message "mcf_man_soc 2021.04.18"; message "";
 %------------------------------------------------------------------------
 sw_mframe:=0;
 sw_expand:=0;
-%%%%sw_aux_out:=0;
-%%%%sw_rep_out:=1;
 %%%%ext(defaultscale:=.5; label.bot(decimal(char_num)&":"&inf_EN,(.5w,0));)
 %%%%ext(defaultscale:=.5; label.bot(mc,(.5w,0));)
 %***********************************************************************

Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
===================================================================
(Binary files differ)

Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex	2021-04-18 20:18:42 UTC (rev 58903)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex	2021-04-18 20:19:06 UTC (rev 58904)
@@ -1,5 +1,5 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-%  Molecular Coding Format manual                by  Akira Yamaji 2021.04.04
+%  Molecular Coding Format manual                by  Akira Yamaji 2021.04.18
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \documentclass[a4paper]{article}
 \usepackage[pdftex]{graphicx}
@@ -48,7 +48,7 @@
 \edef\file at name{\MCFjobname-\z at num\fnum.\fext}%
 \setbox\fbox=\hbox{\@strufont\char\fnum}%
 \includegraphics[width=\wd\fbox,height=\ht\fbox]{\file at name}%
-%%%%%%%\includegraphics{\file at name}%
+%%%%%%\includegraphics{\file at name}%
 \fi%
 \global\advance\fnum\@ne\relax%
 }%
@@ -1469,7 +1469,7 @@
 \section{Example to use mcf2graph}
 \subsection{Metafont/Metapost souce file}
 \index{mcf2graph.mf}%
-\index{sw\_aux\_out}%
+\index{sw\_output}%
 \index{sw\_file\_open}%
 \index{tag}%
 \index{var}%
@@ -1477,14 +1477,14 @@
 %-------------------------------------------------------------------------
 input mcf2graph.mf;                                     > input main macro
 %-------------------------------------------------------------------------
-sw_aux_out:=1;        % aux(information) file output on > global setting
+sw_output:=Info1;     % aux(information) file output on > global setting
+%%%% sw_output:=Report;                                 > report output
+%%%% sw_output:=MOL2k;                                  > MOL file output
 fsize:=(60mm,40mm);   %  (font width,font height)       >
 tag1:="J";                                              > jobname
 tag2:="C";                                              > char No
 tag3:="mw";           % calculated molecular weight     > 
 tag4:="fm";           % calculated molecular formula    >
-%%%% sw_rep_out:=1;                                     > report output
-%%%% sw_mol_out:=1;                                     > MOL file output
 outputformat:="png"; hppp:=vppp:=0.1;                   > PNG output
 outputtemplate:="%j-%3c.png";                           >
 %-------------------------------------------------------------------------
@@ -1492,7 +1492,7 @@
   MC(<45,?4,-3=?5,2:N,7:S,                              > immediately compile
     3^45:/*H,1://O^15,5:/*COOH^-18,6:??,                >
     @4,*\^15,NH,!,//O,!,/*NH2,!,Ph)                     >
-endfont                                                 > end font
+endfont                                                 >
 %------------------------------------------------------------------------
 beginfont("EN:Cholesterol","MW:386.65",                 >information
   %----------------------------------------             >
@@ -1502,7 +1502,7 @@
   ": @-1,18,/*_,-60,!3,?!               ")              > mc4
   %----------------------------------------             >
   if check(mc)=0: MC(scantokens(mc)) fi                 > mc=mc1 - mc4
-endfont                                                 > end font
+endfont                                                 >
 %------------------------------------------------------------------------------
 beginfont("f:mcf_data_base","t:EN","v:Adenine")         > from mcf_data_base.mcf
   if check(mc)=0: MC(scantokens(mc)) fi                 > select EN="Adenine"
@@ -1516,16 +1516,14 @@
   if check(mc)=0: MC(scantokens(mc)) fi                 > select EN="Cytosine"
 endfont                                                 >
 %------------------------------------------------------------------------------
-sw_file_open:=1;                     > keep file open  **default sw_file_open=0
-%------------------------------------------------------------------------------
-beginfont("f:mcf_data_base","t:n","v:4")                > from mcf_data_base.mcf
+beginfont("f+:mcf_data_base","t:n","v:4")               > from mcf_data_base.mcf
   if check(mc)=0: MC(scantokens(mc)) fi                 > v:4 select No.4
-endfont                                                 >
+endfont                                                 > 'f+' keep file open
 %------------------------------------------------------------------------------
 for i=5 upto 155:                                       > from mcf_data_base.mcf
-  beginfont("f:mcf_data_base","t:n","v:0")              > v:0 no selection
+  beginfont("f+:mcf_data_base","v:*")                   > v:* no selection
     if check(mc)=0: MC(scantokens(mc)) fi               > No.5 - No.155
-  endfont                                               >
+  endfont                                               > 'f+' keep file open
 endfor                                                  >
 %------------------------------------------------------------------------------
 bye
@@ -1536,66 +1534,65 @@
 \subsection{Molecular data base file}
 \begin{verbatim}
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% molecular data base file mcf_data_base.mcf  by Akira Yamaji  2021.04.04
+% molecular data base file mcf_data_base.mcf  by Akira Yamaji  2021.04.18
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 %  tag1:var1;tag2:var2;tag3:var3 ....
 %  first character of line '%' comment out
-%  first character of line '+' begin molecular definition
-%  first character of line '-' end molecular definition
-%---------------------------------------------------------------------------
-EN:Cytosine;MW:111.10
+%  first character of line '+' begin MCF , end MCF
+%------------------------------------------------------------------------------
+Cat:biological;EN:Adenine;MW:135.13
 +
+<30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH
++------------------------------------------------------------------------------
+Cat:biological;EN:Guanine;MW:151.13
++
+<30,?6,3=?5,{1,3,9}=dl,{2,9}:N,{6,7}:NH,5://O,1:/NH2
++------------------------------------------------------------------------------
+Cat:biological;EN:Cytosine;MW:111.10
++
 <30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2
-----------------------------------------------------------------------------
-EN:Thymine;MW:126.11
++------------------------------------------------------------------------------
+Cat:biological;EN:Thymine;MW:126.11
 +
 <30,?6,3=dl,{2,6}:NH,{1,5}://O,4:/_
-----------------------------------------------------------------------------
-EN:Uracil;MW:112.09
++------------------------------------------------------------------------------
+Cat:biological;EN:Uracil;MW:112.09
 +
 <30,?6,6=dl,{3,5}://O,{2,4}:NH
-----------------------------------------------------------------------------
-EN:Geraniol;MW:154.25
++------------------------------------------------------------------------------
+Cat:biological;EN:Geraniol;MW:154.25
 +
 <30,!8,OH,{2,6}=dr,{2,6}:/_
-----------------------------------------------------------------------------
-EN:Limonene;MW:136.24
++------------------------------------------------------------------------------
+Cat:biological;EN:Limonene;MW:136.24
 +
 <30,?6,2=dl,2:/_, at 5,*\,/_,!!
-----------------------------------------------------------------------------
-EN:l-Menthol;MW:156.27
++------------------------------------------------------------------------------
+Cat:biological;EN:l-Menthol;MW:156.27
 +
 <30,?6,2:/*?!,5:*/_,3:*/OH
-----------------------------------------------------------------------------
-EN:Vanillin;MW:152.15
++------------------------------------------------------------------------------
+Cat:biological;EN:Vanillin;MW:152.15
 +
 <30,Ph,2:/OH,3:/O!,5:/CHO
-+----------------------------------------------------------------------------
-EN:Allicin;MW:162.28
++------------------------------------------------------------------------------
+Cat:biological;EN:Allicin;MW:162.28
 +
 <-30,!!,!2,SO,!,S,!2,!!
-----------------------------------------------------------------------------
-EN:Stearic acid;MW:284.48;
++------------------------------------------------------------------------------
+Cat:biological;EN:Stearic acid;MW:284.48
 +
 <30,!17,COOH
-----------------------------------------------------------------------------
-EN:Linoleic acid;MW:280.45
++------------------------------------------------------------------------------
+Cat:biological;EN:Linoleic acid;MW:280.45
 +
 <30,!5,-30,-30,!,-30,-30,!7,COOH,{6,9}=dr
-----------------------------------------------------------------------------
-EN:Sphingosine;MW:299.50
-+
-<30,!18,OH,14=dr,-3:*/OH,-2:/*NH2
-----------------------------------------------------------------------------
-EN:Tocopherol;MW:430.717
-+
-<30,Ph,3=?6,7:O,{1,2,5}:/_,8:/*_^60,6:/OH, at 8,\,|,!12,{4,8}:/*_,12:/_
-----------------------------------------------------------------------------
++------------------------------------------------------------------------------
 \end{verbatim}
-%------------------------------------------------------------------------
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \noindent%
 \newpage
-\subsection{Information auxfile output}
+\subsection{Information aux file output}
 \paragraph{(Insert option parameter setting)}
 \index{J}%
 \index{C}%
@@ -1612,14 +1609,13 @@
 \index{w}%
 \index{h}%
 \begin{verbatim}
-  sw_aux_out=1 : tag1:var1;tag2:var2
-  sw_aux_out=2 : tag1;tag2 var1;var2
-  ** default : sw_aux_out=0
+  sw_output:=Info1;    % tag1:var1;tag2:var2
+  sw_output:=Info2;    % tag1;tag2 var1;var2
 \end{verbatim}
 \paragraph{(Command line)}
 \begin{verbatim}
-  >mpost -s ahlength=1 FILENAME  (sw_aux_out=1)
-  >mpost -s ahlength=2 FILENAME  (sw_aux_out=2)
+  >mpost -s ahlength=1 FILENAME  (sw_output=Info1)
+  >mpost -s ahlength=2 FILENAME  (sw_output=Info2)
 \end{verbatim}
 \paragraph{(Sourse)}
 \begin{verbatim}
@@ -1635,13 +1631,13 @@
 \paragraph{(Output)}
 \index{aux\_delimiter}%
 \begin{verbatim}
-(sw_aux_out=1)
+(sw_output=Info1)
 F:mcf_man_soc;C:1;mw:349.40462;fm:C16H19N3O4S;EN:Ampicillin
 F:mcf_man_soc;C:2;mw:386.6532;fm:C27H46O;EN:Cholesterol
 F:mcf_exa_soc;C:3;mw:470.5113;fm:C26H30O8;EN:Limonin
 F:mcf_exa_soc;C:4;mw:536.8722;fm:C40H56;EN:beta-Carotene
 
-(sw_aux_out=2)
+(sw_output=Info2)
 F;C;mw;fm
 mcf_man_soc;1;349.40462;C16H19N3O4S;Ampicillin
 mcf_man_soc;2;386.6532;C27H46O;Cholesterol
@@ -1672,14 +1668,76 @@
 h   : font height
 \end{verbatim}
 %------------------------------------------------------------------------
+\noindent%
 \newpage
+\subsection{Metafont aux file output}
+\paragraph{(Insert option parameter setting)}
+\begin{verbatim}
+  sw_output:=Mfont;
+\end{verbatim}
+\paragraph{(Command line)}
+\begin{verbatim}
+  >mpost -s ahlength=7 FILENAME  (sw_output=Mfont)
+\end{verbatim}
+\paragraph{(Output)}
+\begin{verbatim}
+beginfont("Cat:biological","EN:Adenine","MW:135.13",
+": <30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH")
+if check(mc)=0: MC(scantokens(mc)) fi
+endfont
+beginfont("Cat:biological","EN:Guanine","MW:151.13",
+": <30,?6,3=?5,{1,3,9}=dl,{2,9}:N,{6,7}:NH,5://O,1:/NH2")
+if check(mc)=0: MC(scantokens(mc)) fi
+endfont
+beginfont("Cat:biological","EN:Cytosine","MW:111.10",
+": <30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2")
+if check(mc)=0: MC(scantokens(mc)) fi
+endfont
+beginfont("Cat:biological","EN:Thymine","MW:126.11",
+": <30,?6,3=dl,{2,6}:NH,{1,5}://O,4:/_")
+if check(mc)=0: MC(scantokens(mc)) fi
+endfont
+beginfont("Cat:biological","EN:Adenine","MW:135.13",
+": <30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH")
+if check(mc)=0: MC(scantokens(mc)) fi
+endfont
+beginfont("Cat:biological","EN:Guanine","MW:151.13",
+": <30,?6,3=?5,{1,3,9}=dl,{2,9}:N,{6,7}:NH,5://O,1:/NH2")
+if check(mc)=0: MC(scantokens(mc)) fi
+endfont
+beginfont("Cat:biological","EN:Cytosine","MW:111.10",
+": <30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2")
+if check(mc)=0: MC(scantokens(mc)) fi
+endfont
+beginfont("Cat:biological","EN:Thymine","MW:126.11",
+": <30,?6,3=dl,{2,6}:NH,{1,5}://O,4:/_")
+if check(mc)=0: MC(scantokens(mc)) fi
+endfont
+beginfont("Cat:biological","EN:Uracil","MW:112.09",
+": <30,?6,6=dl,{3,5}://O,{2,4}:NH")
+if check(mc)=0: MC(scantokens(mc)) fi
+endfont
+beginfont("Cat:biological","EN:Geraniol","MW:154.25",
+": <30,!8,OH,{2,6}=dr,{2,6}:/_")
+if check(mc)=0: MC(scantokens(mc)) fi
+endfont
+beginfont("Cat:biological","EN:Limonene","MW:136.24",
+": <30,?6,2=dl,2:/_, at 5,*\,/_,!!")
+if check(mc)=0: MC(scantokens(mc)) fi
+endfont
+beginfont("Cat:biological","EN:l-Menthol","MW:156.27",
+": <30,?6,2:/*?!,5:*/_,3:*/OH")
+if check(mc)=0: MC(scantokens(mc)) fi
+endfont
+\end{verbatim}
+%------------------------------------------------------------------------
+\newpage
 \noindent%
 \subsection{Report output}
 \paragraph{(Insert option parameter setting)}
-\index{sw\_rep\_out}%
+\index{sw\_output}%
 \begin{verbatim}
-  sw_rep_out:=1;
-  ** default : sw_rep_out=0
+  sw_output:=Report;
 \end{verbatim}
 \paragraph{(Command line)}
 \begin{verbatim}
@@ -1739,11 +1797,10 @@
 \noindent%
 \subsection{MOL file output}
 \paragraph{(Insert option parameter setting)}
-\index{sw\_mol\_out}%
+\index{sw\_output}%
 \begin{verbatim}
-  sw_mol_out:=1;     % MOL(V2000)
-  sw_mol_out:=2;     % MOL(V3000)
-  ** default : sw_mol_out=0
+  sw_output:=MOL2k;     % MOL(V2000)
+  sw_output:=MOL3k;     % MOL(V3000)
 \end{verbatim}
 \paragraph{(Command line)}
 \begin{verbatim}
@@ -1802,7 +1859,7 @@
 \mplibnumbersystem{double}%
 \everymplib{%
   if unknown Ph1: input mcf2graph.mf; fi
-  sw_calc:=1;  sw_fframe:=4;  max_blength:=4.5mm;
+  sw_output:=None;  sw_fframe:=4;  max_blength:=4.5mm;
   defaultfont:="uhvr8r"; defaultsize:=8bp; defaultscale:=1;
 }%
 \begin{document}

Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
===================================================================
(Binary files differ)

Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex	2021-04-18 20:18:42 UTC (rev 58903)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex	2021-04-18 20:19:06 UTC (rev 58904)
@@ -1,7 +1,7 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of  MCF typest with LuaLaTeX(luamplib)     by A.Yamaji    2021.04.04
+% Example of  MCF typest with LuaLaTeX(luamplib)     by A.Yamaji    2021.04.18
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ** mcf2graph.mf must be version 4.62
+% ** mcf2graph.mf must be version 4.63
 % ** use mcf_data_base.mcf
 \documentclass{article}
 %------------------------------------------------------------------------------
@@ -13,7 +13,7 @@
 \mplibnumbersystem{double}%
 \everymplib{%
   if unknown Ph1: input mcf2graph.mf; fi
-  sw_calc:=1;
+  sw_output:=None;
   sw_fframe:=4;
   max_blength:=4.5mm;
   defaultfont:="uhvr8r";
@@ -216,7 +216,7 @@
   @10,*\^-60,60,//O,!,NH2, at 13,*\,NH,!,//O,!,/??!,*/H^60,!~zf,NH,!,
   @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
--------------------------------------------------------------------------------
++------------------------------------------------------------------------------
 \end{verbatim}
 %----------------------------------------------------------------------------
 \begin{mplibcode}
@@ -255,7 +255,7 @@
            @6,\,O,30,SOO,30,"O{Na}",
   @$36,-45~zf,O,30,SOO,30,"O{Na}",
   @$150,\,|,!7,{1,2}:/*OH,4:*/_,5:/*_,7=dl
--------------------------------------------------------------------------------
++------------------------------------------------------------------------------
 \end{verbatim}
 %--------------------------------------------------------------------------------
 \begin{mplibcode}

Modified: trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
===================================================================
--- trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf	2021-04-18 20:18:42 UTC (rev 58903)
+++ trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf	2021-04-18 20:19:06 UTC (rev 58904)
@@ -1,5 +1,5 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 4.62     Copyright (c) 2013-2021   Akira Yamaji
+% mcf2graph ver 4.63     Copyright (c) 2013-2021   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,
@@ -22,9 +22,8 @@
 % This package is located at : http://www.ctan.org/pkg/mcf2graph
 % Suggestion or request mail to : mcf2graph at gmail.com 
 %--------------------------------------------------------------------------------------------------
-% Set output no image file                   : mpost -s bboxmargin=0   FILENAME
+% Set outputformat to "eps"(.mps)            : mpost                   FILENAME
 % Set output first font only                 : mpost -s bboxmargin=1   FILENAME
-% Set outputformat to "eps"(.mps)            : mpost -s ahangle=0      FILENAME
 % Set outputformat to "png"                  : mpost -s ahangle=1      FILENAME
 % Set outputformat to "svg"                  : mpost -s ahangle=2      FILENAME
 % Set outputformat to "eps" (.eps)           : mpost -s ahangle=3      FILENAME
@@ -33,12 +32,12 @@
 % Set output report                          : mpost -s ahlength=3     FILENAME
 % Set output MOL(V2000)                      : mpost -s ahlength=5     FILENAME
 % Set output MOL(V3000)                      : mpost -s ahlength=6     FILENAME
-% Set output souce file for metafont         : mpost -s ahlength=7     FILENAME
+% Set output aux file for metafont           : mpost -s ahlength=7     FILENAME
 % Set to use plain.mp (label,arrow)          : mpost -s labeloffset=1  FILENAME
 % Set to use plain.mp (label,arrow,atom)     : mpost -s labeloffset=2  FILENAME
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 tracingstats:=1;
-message "* This is mcf2graph ver 4.62  2021.04.04";
+message "* This is mcf2graph ver 4.63  2021.04.18";
 %-------------------------------------------------------------------------------------------------
 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;
@@ -47,23 +46,22 @@
         com_group[][],par_group[][],cnt_group[],colorA[],colorB[],sumA[],bondC[],hideH[],
         lineB[],sB[],eB[],angB[],angA[],lenB[],angX[],numS[],wdM[],htM[],wdA[],dxA[],
         mc_indent[],cmm_adr[];
-string  save_str[],tbl_atom_str[],strD[],tag[],file_name_output,out_file_aux,blank_str,temp_str,
-        out_file_rep,out_file_mpc,aux_delimiter,atomfont,mpfont,s_tag,s_var,cal_FM,cal_MW,cal_MI,
+string  save_str[],tbl_atom_str[],strD[],tag[],file_name_output,blank_str,temps,aux_delimiter,
+        atomfont,mpfont,s_tag,s_var,cal_FM,cal_MW,cal_MI,
         inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_MW;
 pair    save_pair[],posA[],posM[][],msize,mposition,fsize,fmargin,save_mposition,posBs,posBe,dum;
 picture mol_stru[],atom_picture,save_picture,temp_picture;
 path    arrow_path,dottedline_path,line_path,arrow_head;
 %-------------------------------------------------------------------------------------------------
-char_num:=str_cnt:=tbl_cnt:=proc_end:=mangle:=sw_calc:=sw_ext_all:=0;
-sw_numberA:=sw_numberB:=sw_aux_out:=sw_expand:=sw_fframe:=sw_mframe:=sw_aframe:=sw_trimming:=0;
-sw_rep_out:=sw_mol_out:=sw_group_off:=sw_single:=sw_arrow_emu:=sw_file_open:=0;
+char_num:=str_cnt:=tbl_cnt:=proc_end:=mangle:=0;
+sw_numberA:=sw_numberB:=sw_expand:=sw_fframe:=sw_mframe:=sw_aframe:=sw_trimming:=sw_ext_all:=0;
+sw_group_off:=sw_single:=sw_arrow_emu:=sw_output:=0;
 numberA_start:=numberB_start:=1; numberA_end:=numberB_end:=4095;
 %-------------------------------------------------------------------------------------------------
-aux_max:=max_inf_num:=20;
-aux_delimiter:=";";
+aux_max:=max_inf_num:=20; aux_delimiter:=";"; blank_str:= "                             ";
 for i=1 upto aux_max: tag[i]:=""; endfor
-blank_str:= "                             ";
 dum:=(-4091,0);
+None:=11; Info1:=21; Info2:=22; Report:=31; MOL2k:=41; MOL3k:=42; Mfont:=51;
 %-------------------------------------------------------------------------------------------------
 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("=");
@@ -98,35 +96,25 @@
   color color_list[];
   prologues:=3;
   mpfont:="uhvr8r";
-  %-----------------------------------------------------------------------------------------
   atomfont:=defaultfont:="";
-  out_file_aux:=jobname&"-info.aux";
-  out_file_mpc:=jobname&"-mpc.txt";
-  out_file_rep:=jobname&"-report.txt";
-  def file_mol_output= jobname&"-"&fit_zero(char_num)&"-"&inf_EN&".mol" enddef;
   %--default ahangle=45---------------------------------------------------------------------
   if     ahangle=0:  outputformat:="eps";                      % eps format(.mps)
-  elseif ahangle=11: outputformat:="png"; hppp:=vppp:=0.24;    % png format(300dpi)
   elseif ahangle=1:  outputformat:="png"; hppp:=vppp:=0.12;    % png format(600dpi)
-  elseif ahangle=12: outputformat:="png"; hppp:=vppp:=0.10;    % png format(720dpi)
-  elseif ahangle=13: outputformat:="png"; hppp:=vppp:=0.06;    % png format(1200dpi)
-  elseif ahangle=14: outputformat:="png"; hppp:=vppp:=0.04;    % png format(1800dpi)
-  elseif ahangle=15: outputformat:="png"; hppp:=vppp:=0.03;    % png format(2400dpi)
+  elseif ahangle=11: outputformat:="png"; hppp:=vppp:=0.06;    % png format(1200dpi)
   elseif ahangle=2:  outputformat:="svg";                      % svg format
   elseif ahangle=3:  outputformat:="eps";                      % eps format(.eps)
+  elseif ahangle=45: outputformat:="eps";                      % eps format(.eps)
   fi
   %--default ahlength=4---------------------------------------------------------------------
-  if     ahlength=1: sw_aux_out:=1; bboxmargin:=0;      % output aux file
-  elseif ahlength=2: sw_aux_out:=2; bboxmargin:=0;      % output aux file(fixed mode)
-  elseif ahlength=3: sw_rep_out:=1; bboxmargin:=0;      % output report
-  elseif ahlength=5: sw_mol_out:=1; bboxmargin:=0;      % output MOL(V2000)
-  elseif ahlength=6: sw_mol_out:=2; bboxmargin:=0;      % output MOL(V3000)
+  if     ahlength=1:  sw_output:=Info1;                       % output aux file
+  elseif ahlength=2:  sw_output:=Info2;                       % output aux file(fixed mode)
+  elseif ahlength=3:  sw_output:=Report;                      % output report
+  elseif ahlength=5:  sw_output:=MOL2k;                       % output MOL(V2000)
+  elseif ahlength=6:  sw_output:=MOL3k;                       % output MOL(V3000)
+  elseif ahlength=7:  sw_output:=Mfont;                       % output Mfont
   fi
   %-- default bboxmargin=2------------------------------------------------------------------
-  if     bboxmargin=0: def shipit = enddef;             % No image file
-  elseif bboxmargin=1: proc_end:=1;                     % output first font only
-  elseif bboxmargin=3: def shipit = enddef;proc_end:=1; % No image file ,first font only
-  fi
+  if bboxmargin=1:   proc_end:=1; fi                           % output first font only
   %--default labeloffset=3------------------------------------------------------------------
   if     labeloffset=1: defaultfont:=mpfont;            % mpost label
   elseif labeloffset=2: defaultfont:=atomfont:=mpfont;  % mpost label,atom
@@ -163,21 +151,20 @@
 clearit;
 %--------------------------------------------------------------------------------------------------
 if f_MP=1:
-  if     bboxmargin=0: message "* output no image file";
-  elseif bboxmargin=1: message "* output first font only";
-  elseif bboxmargin=3: message "* no image,first only";
-  fi
+  if bboxmargin=1: message "* output first font only"; fi
   message "* jobname="&jobname;
   message "* numbersystem="&numbersystem;
-  if     ahlength=1: message "* output aux file";
-                     message "* out_file_aux="&out_file_aux;
-                     message "* aux_delimiter="&aux_delimiter;
-  elseif ahlength=2: message "* output report file";
-                     message "* out_file_rep="&out_file_rep;
-  elseif ahlength=5: message "* output MOL file(V2000)";
-                     message "* "&jobname&"-nnn-"&"inf_EN"&".mol";
-  elseif ahlength=6: message "* output MOL file(V3000)";
-                     message "* "&jobname&"-nnn-"&"inf_EN"&".mol";
+  if ahlength=1: message "* output info file";
+                 message "* file name="&jobname&"-info.aux";
+                 message "* info delimiter="&aux_delimiter;
+  ef ahlength=2: message "* output report file";
+                 message "* file name="jobname&"-report.txt";
+  ef ahlength=5: message "* output MOL file(V2000)";
+                 message "* "&jobname&"-nnn-"&"inf_EN"&".mol";
+  ef ahlength=6: message "* output MOL file(V3000)";
+                 message "* "&jobname&"-nnn-"&"inf_EN"&".mol";
+  ef ahlength=7: message "* output mf file";
+                 message "* mf file name="&jobname&"-mf.aux";
   fi
   message "* outputformat="&outputformat;
   if outputformat="png": message "* hppp="&decimal(hppp)&"/vppp="&decimal(vppp); fi
@@ -221,8 +208,8 @@
   si,dl,dl_,dr,dr_,db,dm,dm_,tm,wf,wb,bd,bz,zf,zb,dt,wv,nl,vf,vb,nb,si_,wf_,wb_,zf_,zb_,wv_,bd_);
 %--------------------------------------------------------------------------------------------------
 def parameter_list=
-  sw_rep_out,sw_numberA,sw_numberB,sw_mframe,sw_aux_out,sw_expand,sw_mol_out,sw_calc,
-  sw_single,sw_ext_all,sw_aframe,sw_fframe,sw_group_off,sw_trimming,sw_arrow_emu,sw_file_open,
+  sw_numberA,sw_numberB,sw_mframe,sw_expand,sw_output,
+  sw_single,sw_ext_all,sw_aframe,sw_fframe,sw_group_off,sw_trimming,sw_arrow_emu,
   ratio_atom_bond,ratio_thickness_bond,ratio_char_bond,ratio_chain_ring,ratio_bondgap_bond,
   ratio_hash_black,ratio_hashgap_bond,ratio_thickness_char,ratio_wedge_bond,ratio_atomgap_atom,
   lonepairdiam,lonepairspace,blength,offset_atom,offset_wedge,max_blength,offset_hash_gap,
@@ -265,9 +252,9 @@
 def beginfont(text s)=
   begingroup
   save ',f_beginchar,f_ext,blen,ext,add,ang_br,n_fw,n_bw,at_colon,at_semicol,info,mc,temps,
-       file_name_input,temps_a,t_tag;
+       file_name_input,t_tag,f_close;
   numeric at_semicol[];
-  string info[],mc[],temps,temps_a,mc,file_name_input,t_tag;
+  string info[],mc[],temps,mc,file_name_input,t_tag;
   %------------------------------------------------------------------------------------------------
   def ext=ext_to_font enddef;
   def add=add_to_molecule enddef;
@@ -274,7 +261,7 @@
   def '=read_ud enddef;
   %------------------------------------------------------------------------------------------------
   inf_NO:=inf_EN:=inf_JN:=inf_MW:=inf_FM:=inf_CAS:=inf_USE:=inf_EXA:=inf_EXB:="-";
-  mc:=cal_MW:=cal_MI:=cal_FM:="";
+  mc:=t_tag:=file_name_input:=cal_MW:=cal_MI:=cal_FM:="";
   %------------------------------------------------------------------------------------------------
   parts_cnt:=parts_usr_start;
   parts_int:=parts_int_start;
@@ -281,7 +268,7 @@
   %------------------------------------------------------------------------------------------------
   char_num:=char_num+1;
   store_par(parameter_list);
-  f_ext:=cntM:=mc_row:=inf_num:=0;
+  f_ext:=cntM:=mc_row:=inf_num:=f_EOF:=0; f_close:=1;
   for list=s: inf_num:=inf_num+1; info[inf_num]:=list; mc[inf_num]:=""; endfor
   %------------------------------------------------------------------------------------------------
   for j=1 upto inf_num:
@@ -296,9 +283,10 @@
     ef at_colon>=1:
       s_tag:=substring (0,at_colon-1) of info[j];
       s_var:=substring (at_colon,length(info[j])) of info[j];
-      if s_tag="f": if f_MP=1: file_name_input:=s_var&".mcf"; fi
-      ef s_tag="t": if f_MP=1: t_tag:=s_var; fi
-      ef s_tag="v": if f_MP=1: nA:=extract_data(t_tag,s_var); fi
+      if s_tag="f":  if f_MP=1: file_name_input:=s_var&".mcf"; fi
+      ef s_tag="f+": if f_MP=1: file_name_input:=s_var&".mcf"; f_close:=0; fi
+      ef s_tag="t":  if f_MP=1: t_tag:=s_var; fi
+      ef s_tag="v":  if f_MP=1: pickup_data_unit(t_tag,s_var); fi
       else: if known scantokens("inf_"&s_tag): scantokens("inf_"&s_tag):=s_var; fi
       fi
     fi
@@ -308,77 +296,77 @@
 enddef;
 %==================================================================================================
 def endfont=
-  if cntM>=1:
-    %-----------------------------------------------------------------------------------------
-    if sw_ext_all=1: ext_to_font(EXT_ALL); fi
-    if sw_trimming>=1:
-      nA:=nC:=4095; nB:=nD:=-4095;
+  if (sw_output=0)or(sw_output=None):
+    if cntM>=1:
+      if sw_ext_all=1: ext_to_font(EXT_ALL); fi
+      if sw_trimming>=1:
+        nA:=nC:=4095; nB:=nD:=-4095;
+        for i=1 upto cntM:
+          if xpart(posM[1][i])<nA: nA:=xpart(posM[1][i]); fi
+          if xpart(posM[2][i])>nB: nB:=xpart(posM[2][i]); fi
+          if ypart(posM[1][i])<nC: nC:=ypart(posM[1][i]); fi
+          if ypart(posM[2][i])>nD: nD:=ypart(posM[2][i]); fi
+        endfor
+        font_wd:=nB-nA+2margin_lr;
+        font_ht:=nD-nC+2margin_tb;
+        fsize:=(font_wd,font_ht);
+        for i=1 upto cntM:
+          posM[0][i]:=posM[0][i]+(margin_lr-nA,margin_tb-nC);
+          posM[1][i]:=posM[1][i]+(margin_lr-nA,margin_tb-nC);
+        endfor
+      fi
+      %----------------------------------------------------------------------------------------
+      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;
+                 if (sw_fframe<>1)and(sw_fframe<>3): draw_corner((0,0),w,h,0.05bp); fi
+      fi
+      if (sw_fframe=1)or(sw_fframe=3): draw_frame((0,0),w,h,thickness_fframe); fi
+      if (sw_fframe=2)or(sw_fframe=3):
+        draw_frame((margin_lr,margin_tb),w-2margin_lr,h-2margin_tb,thickness_fframe);
+      fi
       for i=1 upto cntM:
-        if xpart(posM[1][i])<nA: nA:=xpart(posM[1][i]); fi
-        if xpart(posM[2][i])>nB: nB:=xpart(posM[2][i]); fi
-        if ypart(posM[1][i])<nC: nC:=ypart(posM[1][i]); fi
-        if ypart(posM[2][i])>nD: nD:=ypart(posM[2][i]); fi
+        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
       endfor
-      font_wd:=nB-nA+2margin_lr;
-      font_ht:=nD-nC+2margin_tb;
-      fsize:=(font_wd,font_ht);
-      for i=1 upto cntM:
-        posM[0][i]:=posM[0][i]+(margin_lr-nA,margin_tb-nC);
-        posM[1][i]:=posM[1][i]+(margin_lr-nA,margin_tb-nC);
-      endfor
+      if f_ext=1: addto currentpicture also mol_stru[0]; mol_stru[0]:=nullpicture; fi
+      %-----------------------------------------------------------------------------------------
+    else:
+      font_wd:=xpart(fsize); font_ht:=ypart(fsize);
+      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;
+      fi
+      draw (0,h)--(0,0)--(w,0)--(w,h)--(0,h)--(w,0) wpcs thickness_fframe;
     fi
-    %----------------------------------------------------------------------------------------
-    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;
-               if (sw_fframe<>1)and(sw_fframe<>3): draw_corner((0,0),w,h,0.05bp); fi
-    fi
-    if (sw_fframe=1)or(sw_fframe=3): draw_frame((0,0),w,h,thickness_fframe); fi
-    if (sw_fframe=2)or(sw_fframe=3):
-      draw_frame((margin_lr,margin_tb),w-2margin_lr,h-2margin_tb,thickness_fframe);
-    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
-    endfor
-    if f_ext=1: addto currentpicture also mol_stru[0]; mol_stru[0]:=nullpicture; fi
     %-----------------------------------------------------------------------------------------
-  else:
-    font_wd:=xpart(fsize); font_ht:=ypart(fsize);
-    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;
-    fi
-    draw (0,h)--(0,0)--(w,0)--(w,h)--(0,h)--(w,0) wpcs thickness_fframe;
+    endchar;
+    clearit;
+  %-----------------------------------------------------------------------------------------------
+  %%  message "* parts_cnt (0)="& decimal(parts_cnt) &" "& decimal(parts_usr-parts_usr_start);
+  %%  message "* parts_int (0)="& decimal(parts_int) &" "& decimal(parts_int-parts_int_start);
+  %-----------------------------------------------------------------------------------------------
   fi
-  %-----------------------------------------------------------------------------------------
-  endchar;
-  clearit;
   restore_par(parameter_list);
+  if proc_end=1: scantokens("bye"); fi
   endgroup;
-  if proc_end=1: scantokens("bye"); fi
-  %-----------------------------------------------------------------------------------------------
-%%  message "* parts_cnt (0)="& decimal(parts_cnt) &" "& decimal(parts_usr-parts_usr_start);
-%%  message "* parts_int (0)="& decimal(parts_int) &" "& decimal(parts_int-parts_int_start);
-  %-----------------------------------------------------------------------------------------------
 enddef;
 %-------------------------------------------------------------------------------------------------
-vardef extract_data(expr t,v)=
-  save data_cnt,f_end,semicol_cnt,cond,n_var;
-  f_end:=data_cnt:=semicol_cnt:=cond:=at_semicol[0]:=0;
+def pickup_data_unit(expr t,v)=
+  begingroup
+  save data_unit_cnt,f_end,semicol_cnt,cond,n_var;
+  f_end:=data_unit_cnt:=semicol_cnt:=cond:=at_semicol[0]:=inf_num:=0;
   if t="n": n_var:=scantokens(v); fi
   forever:
-    temps:=readfrom file_name_input;
-    exitif temps=EOF;
+    temps:=readfrom file_name_input; if temps=EOF: f_EOF:=1; fi exitif temps=EOF;
     if subc(1,temps)="%":
-    ef subc(1,temps)="*": f_end:=1;
     ef subc(1,temps)="+":
-      data_cnt:=data_cnt+1;
-      if t="n": if n_var=0: cond:=1; else: if data_cnt=n_var: cond:=1; fi fi
+      data_unit_cnt:=data_unit_cnt+1;
+      if v="*": cond:=1;
+      ef t="n": if data_unit_cnt=n_var: cond:=1; fi
       else: if v=scantokens("inf_"&t): cond:=1; fi
       fi
       if cond=1:
         forever:
-          temps:=readfrom file_name_input;
-          exitif subc(1,temps)="-";
+          temps:=readfrom file_name_input; exitif temps=EOF; exitif subc(1,temps)="+";
           mc_row:=mc_row+1;
           n_fw:=scan_char(" ",temps,1,1);
           mc_indent[mc_row]:=n_fw-1;
@@ -387,7 +375,9 @@
         endfor
         f_end:=1;
       else:
-        forever: temps:=readfrom file_name_input; exitif subc(1,temps)="-"; endfor
+        forever: 
+          temps:=readfrom file_name_input; exitif temps=EOF; exitif subc(1,temps)="+";
+        endfor
       fi
     else:
       semicol_cnt:=0;
@@ -394,20 +384,21 @@
       for i=1 upto length(temps):
         if subc(i,temps)=";": semicol_cnt:=semicol_cnt+1; at_semicol[semicol_cnt]:=i; fi
       endfor
-      for i=1 upto semicol_cnt+1:
-        if i<=semicol_cnt: temps_a:=substring (at_semicol[i-1],at_semicol[i]-1) of temps;
-        else:              temps_a:=substring (at_semicol[semicol_cnt],length(temps)) of temps;
+      inf_num:=semicol_cnt+1;
+      for i=1 upto inf_num:
+        if i<=semicol_cnt: info[i]:=substring (at_semicol[i-1],at_semicol[i]-1) of temps;
+        else:              info[i]:=substring (at_semicol[semicol_cnt],length(temps)) of temps;
         fi
-        at_colon:=scan_char(":",temps_a,0,1);
-        s_tag:=substring (0,at_colon-1) of temps_a;
-        s_var:=substring (at_colon,length(temps_a)) of temps_a;
+        at_colon:=scan_char(":",info[i],0,1);
+        s_tag:=substring (0,at_colon-1) of info[i];
+        s_var:=substring (at_colon,length(info[i])) of info[i];
         if known scantokens("inf_"&s_tag): scantokens("inf_"&s_tag):=s_var; fi
       endfor
     fi
     exitif f_end=1;
   endfor
-  if sw_file_open=0: closefrom file_name_input; fi
-  data_cnt
+  if f_close=1: closefrom file_name_input; fi
+  endgroup;
 enddef;
 %--------------------------------------------------------------------------------------------------
 vardef scan_char(expr c,s,d,n)=
@@ -845,7 +836,9 @@
   pair temp_p;
   %-----------------------------------------------------------------------------------------------
   if (sw_numberA>=1)or(sw_numberB>=1): ratio_atom_bond:=0.25; fi
-  if (sw_expand=1)or(sw_mol_out>=1): expand_set; crR:=1; else: crR:=-ratio_chain_ring; fi
+  if (sw_expand=1)or(sw_output=MOL2k)or(sw_output=MOL3k):
+    expand_set; crR:=1; else: crR:=-ratio_chain_ring;
+  fi
   cntA:=cntB:=cnt_group:=cntC:=0; strD[0]:="C"; str_cnt:=2000;
   %-----------------------------------------------------------------------------------------------
   font_wd:=xpart(fsize);
@@ -944,7 +937,7 @@
   mol_stru[cntM]:=currentpicture;
   clearit;
   endgroup;
-  if ((sw_aux_out>=1)or(sw_rep_out=1)or(sw_mol_out>=1)or(sw_calc=1)): proc_calc; fi
+  if cntM=1: if (sw_output>=None)and(sw_output<=Mfont): proc_output(sw_output); fi fi
 enddef;
 %-------------------------------------------------------------------------------------------------
 def add_group=
@@ -1516,10 +1509,10 @@
   fi
 enddef;
 %=================================================================================================
-def proc_calc=
+def proc_output(expr n)=
   begingroup
-  save warning_cnt,knownA,bondC,tmp_wtp,bond_cnt,hideH_cnt;
-  hideH_cnt:=warning_cnt:=num_MW:=num_MI:=cen_MW:=cen_MI:=tbl_atom_max:=0;
+  save knownA,bondC,tmp_wtp,bond_cnt,warning_cnt,hideH_cnt;
+  num_MW:=num_MI:=cen_MW:=cen_MI:=tbl_atom_max:=warning_cnt:=hideH_cnt:=0;
   nE:=parts_emb_start;
   for i=1 upto tbl_atom_end: sumA[i]:=0; endfor
   for i=1 upto cntA:
@@ -1587,23 +1580,28 @@
   else:      num_MW:=cen_MW; cal_MW:=fdr(6)(cen_MW)&"*100"; fi
   if cen_MI<40: cal_MI:=substring (0,10) of decimal(num_MI);
   else:      num_MI:=cen_MI; cal_MI:=fdr(8)(cen_MI)&"*100"; fi
-  if (sw_aux_out>=1)and(cntM=1): proc_auxfile_out; fi
-  if (sw_rep_out=1)and(cntM=1):  proc_report_out;  fi
-  if (sw_mol_out>=1)and(cntM=1): proc_mol_out;     fi
+  %-------------------------------------------------------------------------------------
+  if n=Report:   proc_report_out(0);
+  ef n=Info1:    proc_auxfile_out(1);
+  ef n=Info2:    proc_auxfile_out(2);
+  ef n=MOL2k:    proc_mol_out(1);
+  ef n=MOL3k:    proc_mol_out(2);
+  ef n=Mfont:    proc_mf_out(0);
+  fi
   endgroup
 enddef;
 %=================================================================================================
-def proc_auxfile_out=
+def proc_auxfile_out(expr n)=
   message "["&decimal(char_num)&"]:"&inf_EN;
-  file_name_output:=out_file_aux;
+  file_name_output:=jobname&"-info.aux";
   %--------------------------------------------------------------------------------------
-  if (char_num=1)and(sw_aux_out=2):
+  if (char_num=1)and(n=2):
     printf tag[1] for i=2 upto aux_max: exitif tag[i]=""; &aux_delimiter&tag[i] endfor ;
   fi
   %--------------------------------------------------------------------------------------
   for i=1 upto aux_max: exitif tag[i]="";
     if i=1: printf "" else: &aux_delimiter fi
-    if (sw_aux_out=1)or(sw_aux_out=3): &tag[i]&":" fi
+    if n=1: &tag[i]&":" fi
     %-------------------------------------------
     if tag[i]="J":   & jobname
     ef tag[i]="C":   & decimal(char_num)
@@ -1630,7 +1628,6 @@
     ef tag[i]="MC":  & inf_MC
     fi
   endfor
-  if sw_aux_out=3: for i=1 upto inf_num: &aux_delimiter&info[i] endfor; fi
 enddef;
 %=================================================================================================
 vardef round_auto(expr n)=
@@ -1638,11 +1635,11 @@
   elseif (n<400)and(n>-400): round(n*10)/10      else: round(n) fi
 enddef;
 %-------------------------------------------------------------------------------------------------
-def proc_report_out=
+def proc_report_out(expr n)=
   message "["&decimal(char_num)&"]:"&inf_EN;
-  file_name_output:=out_file_rep;
+  file_name_output:=jobname&"-report.txt";
   printf "===========================================================================";
-  printf " No."&fdr(4)(char_num)&" / Name = "& inf_EN;
+  printf " No."&fdr(4)(char_num)&" / Name = "& inf_EN&" / file = "& file_name_input;
   if mc_row>=1:
     printf "---------------------------------------------------------------------------";
     for i=1 upto mc_row: 
@@ -1702,11 +1699,11 @@
   printf "===========================================================================";
 enddef;
 %=================================================================================================
-def proc_mol_out=
+def proc_mol_out(expr n)=
   message "["&decimal(char_num)&"]:"&inf_EN;
-  file_name_output:=file_mol_output;
+  file_name_output:=jobname&"-"&fit_zero(char_num)&"-"&inf_EN&".mol";
   %-V2000---------------------------------------------------------------------------------------
-  if sw_mol_out=1:
+  if n=1:
     printf ""; printf "  -MCFtoMOL- "&fsl(20)(info[1]); printf "";
     printf fdr(3)(cntA)&fdr(3)(cntB)&"  0  0  0  0  0  0  0  0999 V2000";
     for i=1 upto cntA:
@@ -1721,7 +1718,7 @@
     endfor
     printf "M  END";
   %-V3000---------------------------------------------------------------------------------------
-  elseif sw_mol_out=2:
+  elseif n=2:
     printf ""; printf "  -MCFtoMOL- "&fsl(20)(info[1]); printf "";
     printf "  0  0  0     0  0     999 V3000"; 
     printf "M  V30 BEGIN CTAB";
@@ -1743,6 +1740,19 @@
     printf "M  V30 END BOND"; printf "M  V30 END CTAB"; printf "M  END";
   fi
 enddef;
+%=================================================================================================
+def proc_mf_out(expr n)=
+  message "["&decimal(char_num)&"]:"&inf_EN;
+  file_name_output:=jobname&"-mf.aux";
+  printf "beginfont("
+  for i=1 upto inf_num: &ditto&info[i]&ditto&"," endfor ;
+  for i=1 upto mc_row:
+    printf ditto&": " if i=mc_row: &mc[i]&ditto&")"; else: &mc[i]&ditto&","; fi
+  endfor
+  printf "if check(mc)=0: MC(scantokens(mc)) fi";
+  printf "endfont";
+  if n=1: printf "%-------------------------------------------------------------------------"; fi
+enddef;
 %-------------------------------------------------------------------------------------------------
 vardef fit_zero(expr n)=if n<=9: "00" elseif n<=99: "0" else: "" fi &decimal(n) enddef;
 %-------------------------------------------------------------------------------------------------



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