mcf2graph (15jan17)

git-svn-id: svn://tug.org/texlive/trunk@42970 c570f23f-e606-0410-a88d-b1316a301751

10 files changed, 38 insertions, 32 deletions

diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
index fc9827518bb..b827c211c0d 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
@@ -1,6 +1,10 @@
 *******************************************************************************
- Changelog of mcf2graph software package         by Akira Yamaji 2017-01-09
+ Changelog of mcf2graph software package         by Akira Yamaji 2017-01-15
 *******************************************************************************
+[ver. 4.08  / 2017-01-15]
+  -add monoisotopic mass calculation
+  -update MCF syntax manual
+
 [ver. 4.07  / 2017-01-09]
   -add new command '!!'  : '!~db'
   -add new command '!!!' : '!~tm'
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README
index f1c3c86ae12..bcd344c9b18 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/README
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/README
@@ -1,7 +1,7 @@
 ********************************************************************************
  mcf2graph  : Convert Molecular Coding Format to graphics with METAFONT/METAPOST
  Author     : Akira Yamaji
- version    : 4.07 2017-01-09
+ version    : 4.08 2017-01-15
  E-mail     : mcf2graph@gmail.com
  Located at : http://www.ctan.org/pkg/mcf2graph
 ********************************************************************************
@@ -30,6 +30,7 @@
  (12) mcf_example.pdf        PDF of (11) typeset with LuaTeX(LuaLaTeX)
 
 3. How to use mcf2graph with Metapost
+ Minimum requirement to run mcf2graph : mpost.exe,mpost.dll,mpost.mp,plain.mp
  ( 1) >mpost -s ahangle=0  FILENAME  => output no graphic file.
  ( 2) >mpost -s ahangle=1  FILENAME  => output PNG file. (default:eps)
  ( 3) >mpost -s ahangle=2  FILENAME  => output SVG file. 
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
index 2c97bc08491..97a01bf0236 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
@@ -1,7 +1,7 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format for mcf_example.tex  by Akira Yamaji  2017.01.09
+% Molecular Coding Format for mcf_example.tex  by Akira Yamaji  2017.01.13
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf;   %%% it must be version 4.07 or later
+input mcf2graph.mf;   %%% it must be version 4.08 or later
 %-------------------------------------------------------------------------
 font_wd#:=33mm#;
 font_ht#:=24mm#;
@@ -18,15 +18,15 @@ var4:="cal_MW";  tag4:="cMW";
 %%%% var3:="mol_wd";  tag3:="mWD";
 %%%% var4:="mol_ht";  tag4:="mHT";
 %%%% var5:="cal_MW";  tag5:="cMW";
-%%%% var6:="cal_FM";  tag6:="cFM";
-%%%% var7:="inf_USE"; tag7:="USE";
-%%%% var8:="inf_EXA"; tag8:="EXA";
-%%%% var9:="inf_EXB"; tag9:="EXB";
+%%%% var6:="cal_MI";  tag6:="cMI";
+%%%% var7:="cal_FM";  tag7:="cFM";
+%%%% var8:="inf_USE"; tag8:="USE";
+%%%% var9:="inf_EXA"; tag9:="EXA";
 %%%% auxtag_out;
 %%%% sw_checklist:=1;
 %%%% sw_MOLout:=1;
 %%%% outputformat:="png"; hppp:=vppp:=0.1; outputtemplate:="%j-%3c.png";
-%**************************************************************************
+%***************************************************************************
 beginfont("EN:Acetamiprid","MW:222.676")
   MCf(<30,Ph,2:N,1:/Cl,4\,!,N,/_,!,/_,!!,N,!,CN)
 endfont
@@ -40,7 +40,7 @@ beginfont("EN:Thiamethoxam","MW:291.71")
 endfont
 %***************************************************************************
 beginfont("EN:Tebufenozide","MW:352.478")
-  MCf(<30,Ph,6:/Et,3\,//O,!,NH,!,N,/tBu,!,//O,!,|,Ph,@(3,5)/_)
+  MCf(<30,Ph,6:/!,3\,//O,!,NH,!,N,/tBu,!,//O,!,|,Ph,@(3,5)/_)
 endfont
 %***************************************************************************
 beginfont("EN:Pyridaphenthion","MW:340.334")
@@ -87,7 +87,7 @@ endfont
 %***************************************************************************
 beginfont("EN:Tetraconazole","MW:372.145")
   MCf(<-6,
-    ?5,$(2,5)d,@(1,2,4)N,4\,!3,O,!,/F^35,/F^-35,!,CF2,#7\,|,Ph,@(4,6)/Cl)
+    ?5,$(2,5)d,@(1,2,4)N,4\,!3,O,!,/F^35,/F^-35,!,CF2,7\,|,Ph,@(4,6)/Cl)
 endfont
 %***************************************************************************
 beginfont("EN:Endosulfan","MW:406.904");
@@ -100,7 +100,8 @@ beginfont("EN:Flutolanil","MW:323.315")
 endfont
 %***************************************************************************
 beginfont("EN:Propiconazole","MW:342.22")
-  MCf(<-6,?5,$(2,5)d,@(1,3,4)N,4\,!2,|,Ph,@(4,6)/Cl,#7*,|,?5,@(1,4)O,3:/Pr^24)
+  MCf(<-6,?5,$(2,5)d,@(1,3,4)N,
+      4\,!2,Ph,@(-1,-3)/Cl,7*,|,?5,@(1,4)O,3:/!2^24)
 endfont
 %***************************************************************************
 beginfont("EN:Pencycuron","MW:328.84")
@@ -120,7 +121,7 @@ beginfont("EN:Oxaziclomefone","MW:376.277")
 endfont
 %***************************************************************************
 beginfont("EN:Cafenstrole","MW:350.437")
-  MCf(<30,Ph,@(2,4,6)/_,3\,SOO,!,|,?5,$(2,5)d,@(2,4,5)N,4\,//O,!,N,/Et,!2)
+  MCf(<30,Ph,@(2,4,6)/_,3\,SOO,!,|,?5,$(2,5)d,@(2,4,5)N,4\,//O,!,N,/!,!2)
 endfont
 %***************************************************************************
 beginfont("EN:Cyclosulfamuron","MW:421.428")
@@ -129,7 +130,7 @@ beginfont("EN:Cyclosulfamuron","MW:421.428")
 endfont
 %***************************************************************************
 beginfont("EN:Napropamide","MW:271.36")
-  MCf(<-30,Ph,3=Ph,10\,O,!,/_^35,/_^-35,!,//O,!,N,/Et,!)
+  MCf(<-30,Ph,3=Ph,10\,O,!,/_^35,/_^-35,!,//O,!,N,/!,!)
 endfont
 %***************************************************************************
 beginfont("EN:Pyributicarb","MW:330.446")
@@ -141,11 +142,11 @@ beginfont("EN:Propyzamide","MW:256.126")
 endfont
 %***************************************************************************
 beginfont("EN:Pendimethalin","MW:281.312")
-  MCf(<30,Ph,@(1,2)/_,@(3,5)/NO2,4\,NH,!,/Et,!2)
+  MCf(<30,Ph,@(1,2)/_,@(3,5)/NO2,4\,NH,!,/!,!2)
 endfont
 %***************************************************************************
 beginfont("EN:Benfluralin","MW:335.283")
-  MCf(<30,Ph,@(1,3)/NO2,5:/CF3,2\,N,/Et,!4)
+  MCf(<30,Ph,@(1,3)/NO2,5:/CF3,2\,N,/!,!4)
 endfont
 %***************************************************************************
 beginfont("EN:Trinexapac-ethyl","MW:252.266")
@@ -201,7 +202,7 @@ beginfont("EN:Validamycin","MW:497.494")
 endfont
 %**************************************************************************
 beginfont("EN:Oceltamivir","MW:312.41")
-  MCf(<30,?6,3=d,1:/NH2,3:/COO!2,6:/NHCO!,5\~zf,O,!,/Et,!2)
+  MCf(<30,?6,3=d,1:/NH2,3:/COO!2,6:/NHCO!,5\~zf,O,!,/!,!2)
 endfont
 %***************************************************************************
 beginfont("EN:Luciferin","MW:280.33")
@@ -212,7 +213,7 @@ beginfont("EN:Chlorophyll a","MW:893.509")
 MCf(<54,{,``1,?5,$(2,5)dl,4:N,3\,54~dl,|,?5,$(2,4)dl,5:N,
    -2\,54~dl,|,?5,2=d,5:N,-2\~dl,54,|,?5,5=d,5:N,-2\~dl,&#5,
    -1*,24,/*COO!^15,72,//O,&#1,},
-   @(2,9,15,20~zf)/_,8:/Et,14\,!!,
+   @(2,9,15,20~zf)/_,8:/!,14\,!!,
    #4\`1.45,Mg,&17,-1*,&11~vb,-1*,&23~vb,
    #21*,-6~wf,!2,//O,!,O,!2,!!,|,!13,@(1,5,9,13)/_)
 endfont
@@ -267,7 +268,7 @@ beginfont("EN:Cromolyn","MW:468.37")
 endfont
 %**************************************************************************
 beginfont("EN:Emetine","MW:480.649")
-  MCf(<30,Ph,$(-4,-4)?6,8:N,@(1,6)/O!,-2:/*Et,@(7^-60,12^-60)/*H,
+  MCf(<30,Ph,$(-4,-4)?6,8:N,@(1,6)/O!,-2:/*!,@(7^-60,12^-60)/*H,
      -3\,!~zb,<-60,|,?6,5=d,2:NH,-6^-60:*/H,|,-2=?6,$(2,4)dl,@(-2,-3)/O!)
 endfont
 %***************************************************************************
@@ -343,10 +344,10 @@ endfont;
 %***************************************************************************
 beginfont("EN:Erythromycin","MW:733.937");
 MCf(<30,{,``1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,},&1,
-    14:O,13:/*Et,@(1,9)//O,@(2,10)*/_,@(4,6^-35,8,12^35)/*_,
+    14:O,13:/*!,@(1,9)//O,@(2,10)*/_,@(4,6^-35,8,12^35)/*_,
     @(6^35,11,12^-35)*/OH,
     #3\*,O,30,|,?6`.7,2:O,@(3,5^35)/_,4:/OH,5^-35:/O!,
-    #5\*^30`1.7,O,!,|,?6`.7,6:O,5:/_,2:/OH,3:/NMeMe)
+    #5\*^30`1.7,O,!,|,?6`.7,6:O,5:/_,2:/OH,3:/NMe!)
 endfont;
 %**************************************************************************
 beginfont("EN:Paclitaxel","MW:853.918")
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
index 626c295bd40..162df6cac38 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
index 5f6ee4974a8..07a44728a79 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
@@ -1,5 +1,5 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF typeset by LaTeX   mcf_examples.tex   by A.Yamaji  2017.01.09
+% Example of MCF typeset by LaTeX   mcf_examples.tex   by A.Yamaji  2017.01.15
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \documentclass[a4paper]{article}
 \usepackage{graphicx}
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
index a974662e9e7..0cace2ff00d 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
@@ -1,7 +1,7 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format file for mcf_manual.tex  by Akira.Yamaji 2017.01.03
+% Molecular Coding Format file for mcf_manual.tex  by Akira.Yamaji 2017.01.15
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf;   %% it must be version 4.06 or later
+input mcf2graph.mf;   %% it must be version 4.08 or later
 %------------------------------------------------------------------------
 sw_auxout:=0;
 sw_mol_frame:=0;
@@ -415,7 +415,7 @@ beginfont("EN:substituent 3")
   sw_numberA:=1;
   sw_clip:=1;
   numberA_end:=17;
-  MCf(<-30,!16,2:/_,4:/Et,6:/Pr,10:/iPr,14:/tBu,16:/Ph^-60)
+  MCf(<-30,!16,2:/_,4:/!,6:/!2,10:/iPr,14:/tBu,16:/Ph^-60)
 endfont
 %***********************************************************************
 beginfont("EN:substituent 4")
@@ -655,11 +655,11 @@ beginfont("EN:ratio_chain_ring")
   font_wd#:=70mm#;
   font_ht#:=15mm#;
   ratio_chain_ring:= 0.4;
-  MCd(1,1)(0, .5)(<30,?6,4:/Et)
+  MCd(1,1)(0, .5)(<30,?6,4:/!)
   ratio_chain_ring:= 0.66;   %<<== default
-  MCd(1,1)(.45, .5)(<30,?6,4:/Et)
+  MCd(1,1)(.45, .5)(<30,?6,4:/!)
   ratio_chain_ring:= 1;
-  MCd(1,1)(1, .5)(<30,?6,4:/Et)
+  MCd(1,1)(1, .5)(<30,?6,4:/!)
 endfont
 %***********************************************************************
 beginfont("EN:ratio_zebragap_bond")
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
index be25637bcb6..dfe41477291 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
index 58282621d33..d3030c9aef9 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
@@ -1,5 +1,5 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-%  Molecular Coding Format manual          by  Akira Yamaji 2017.01.09
+%  Molecular Coding Format manual          by  Akira Yamaji 2017.01.15
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \documentclass[a4paper]{article}
 %%%%\usepackage{graphicx}
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
index 485b9887c33..2f74ae116c2 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
index 0f33e58642d..8a72f70b7db 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
@@ -1,7 +1,7 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of  MCF typest with LuaLaTeX(luamplib)     by A.Yamaji   2017.01.09
+% Example of  MCF typest with LuaLaTeX(luamplib)     by A.Yamaji   2017.01.15
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-%%% mcf2graph.mf it must be version 4.07 or later
+%%% mcf2graph.mf it must be version 4.08 or later
 \documentclass{article}
 %------------------------------------------------------------------------------
 \usepackage{luamplib}%
@@ -96,7 +96,7 @@
    -2\,54~dl,|,?5,2=d,5:N,-2\~dl,54,|,?5,5=d,5:N,-2\~dl,&#5,
    -1*,24,/*COO!^15,72,//O,&#1,},
    4\`1.45,Mg,&17,-1*,&11~vb,-1*,&23~vb,
-   @(2,9,15,20~zf)/_,8:/Et,14\,!!,
+   @(2,9,15,20~zf)/_,8:/!,14\,!!,
    21*,-6~wf,!2,//O,!,O,!2,!!,|,!13,@(1,5,9,13)/_,
   )
   endfont