mcf2graph (3oct15)

git-svn-id: svn://tug.org/texlive/trunk@38536 c570f23f-e606-0410-a88d-b1316a301751

7 files changed, 31 insertions, 37 deletions

diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README
index e9f80e27721..1644433da8b 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    : 3.73   2015-09-25
+ version    : 3.74   2015-10-03
  E-mail     : akira.yamaji5@gmail.com
  Located at : http://mirror.ctan.org/pkg/graphics/mcf2graph
  Home page  : http://molecoding.cocolog-nifty.com/blog/
@@ -122,3 +122,4 @@
  ver. 3.71  / 2015-09-18   delete command !!,??
  ver. 3.72  / 2015-09-22   change command ^^ to <  and delete ^^
  ver. 3.73  / 2015-09-25   '&#n' can use as '&(#n)'
+ ver. 3.74  / 2015-10-03   improve bond infomation of checklist
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 1f43d85466b..ef9318591ec 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
@@ -408,10 +408,3 @@ beginfont("EN:Atoropin")
 endfont
 %***************************************************************************
 bye
-********
-bye
-*********
-bye
-
-
-bye
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
index d411d5b14f9..4dcb0f30c49 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_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
index b7a191892de..d1d69ca9e33 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_mplib_exa.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
index 1f64588194b..2bb6ee316ef 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 18b61382556..a0551832ae3 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
@@ -174,9 +174,9 @@ endfont;
     @(6,46,50,53,60,67,74)*/H^-60,
     @(9,18,85,93,112,139,143,147)*/Me`1^60,
     @(80,88,97,115,120,124)/*Me`1^-60,108:*/Me`1^-60,
-    @(36~zf^-45>30)/'(O,!,SOO,!,"O{Na}"),
     #6\,|,!11,60~dr,-60,60,OH,2:/*OH,@(7,10)*/OH,@(1,3)*/Me,@(8~zf,11~dm,12)/Me,
               6\,O,30,SOO,30,"O{Na}",
+    #36\~zf^-45,O,30,SOO,30,"O{Na}",
     #150\,|,!7,@(1,2)/*OH,4:*/Me,5:/*Me,7=dl
     )
   endfont
diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
index 2ecd92f90c3..7e6e0c53315 100644
--- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
+++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
@@ -1,5 +1,5 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 3.73       Copyright (c) 2013-2015  Akira Yamaji
+% mcf2graph ver 3.74       Copyright (c) 2013-2015  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,
@@ -30,14 +30,13 @@
 % Set output checklist            : mpost -s ahlength=2 FILENAME
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 tracingstats:=1;
-message " This is mcf2graph ver 3.7  2015.9 ";
-newinternal com,par,cntA,cntB,adrS,adrA,adrB,dx,nX,i,u,j,k,v,xp,yp,nA,nB;
+message " This is mcf2graph ver 3.7  2015.10";
 %-------------------------------------------------------------------------------------------------
 pair    posB[],posA[],pairT,Ls,Le,pairA;
-numeric angB[],angA[],br_ang[],sB[],eB[],f_FON[],atom_w[],atom_h[],atom_d[],strA[],stkB[],
-        stkA[],stkL[],stkM[],strW[],lineB[],lenB[],ps_com[],ps_adr[],ps_len[],ps_rot[],
-        ps_env[],comMC[][],parMC[][],stock_p[],cntMC[],colorA[],colorB[],tblN[],tblB[][],
-        wtA[],sumA[],CH[],NH[],NO[],SO[],CCl[],CF[],CBr[],?[],![],Ph[];
+numeric angB[],angA[],br_ang[],sB[],eB[],f_FON[],atom_w[],atom_h[],atom_d[],strA[],stkB[],stkA[],
+        stkL[],stkM[],strW[],lineB[],lenB[],ps_com[],ps_adr[],op_com[][],op_par[][],op_cnt[],
+        comMC[][],parMC[][],stock_p[],cntMC[],colorA[],colorB[],tblN[],tblB[][],wtA[],sumA[],
+        CH[],NH[],NO[],SO[],CCl[],CF[],CBr[],?[],![],Ph[];
 path    pA,pB,pC,pT;
 string  info[],tblA[],com_str[],calc_formula,mp_log_name,mol_name,mol_formula,calc_weight_str;
 picture atom_font[],chem_structure,temp_picture;
@@ -166,7 +165,7 @@ def resize(expr WD,HT)=
   ratio_bond_width:=ratio_bond_width*factor; len_x:=len_x*factor; len_y:=len_y*factor;
 enddef;
 %-------------------------------------------------------------------------------------------------
-for i=1 upto 128: f_FON[i]=0; endfor  asc0:=ASCII("0"); asc9:=ASCII("9");
+for i=1 upto 128: f_FON[i]:=0; endfor  asc0:=ASCII("0"); asc9:=ASCII("9");
 def font_use_check=
   for i=1 upto 128: if f_FON[i]<>0: f_FON[i]:=0; fi endfor
     if (sw_numberA>=1)or(sw_numberB>=1): for j=asc0 upto asc9: f_FON[j]:=1; endfor
@@ -174,7 +173,6 @@ def font_use_check=
            f_FON[ASCII(pic_c(j,com_str[strA[i]]))]:=1; endfor fi endfor fi
 enddef;
 %-------------------------------------------------------------------------------------------------
-vardef '(text s)= ''(incr mc_num)(s); mc_num enddef;
 def set_def_MC=
   save /,*,//,/*,*/,**,~,^,`,{,},<,>,&,&#,:,=,\,\\,*\,\*,@,$,#,|,d,w,z,inside_def_MC;
   inside_def_MC:=1; d:=dl; w:=wf; z:=zf;
@@ -196,6 +194,7 @@ def set_def_MC=
 enddef;
 %-------------------------------------------------------------------------------------------------
 def PM(expr a,b,c)= comMC[a][incr cntMC[a]]:=b; parMC[a][cntMC[a]]:=c; enddef;
+vardef '(text s)= ''(incr mc_num)(s); mc_num enddef;
 def ''(expr k)(text s)= begingroup
   if unknown inside_def_MC:: set_def_MC fi  cntMC[k]:=0;
   for list==s::
@@ -226,7 +225,7 @@ def !!?(expr a)(expr b)(expr c) =
   PB(_pop,0) if ypart(a)<=0:: PB(_cyc_eB,ypart(a)-c+1) else:: PB(_cyc_eB,ypart(a)) fi
 enddef;
 %-------------------------------------------------------------------------------------------------
-def PB(expr b,c)= comMC[ab_num][incr cntBS]:=b; parMC[ab_num][cntBS]:=c; enddef;
+def PB(expr a,b)= cntBS:=cntBS+1; comMC[ab_num][cntBS]:=a; parMC[ab_num][cntBS]:=b; enddef;
 def $$(text t)(expr e) =
    begingroup  save cntBS; cntBS:=0; ab_num:=ab_num+1;
   if known e:: if numeric e::
@@ -243,7 +242,7 @@ def $$(text t)(expr e) =
   endgroup
 enddef;
 %-------------------------------------------------------------------------------------------------
-def PA(expr b,c)= comMC[ab_num][incr cntAS]:=b; parMC[ab_num][cntAS]:=c; enddef;
+def PA(expr a,b)= cntAS:=cntAS+1; comMC[ab_num][cntAS]:=a; parMC[ab_num][cntAS]:=b; enddef;
 def @@(text t)(expr s)=
   begingroup  save cntAS; cntAS:=0; ab_num:=ab_num+1;
     if known s:: if numeric s::
@@ -273,16 +272,14 @@ def @@(text t)(expr s)=
   endgroup
 enddef;
 %-------------------------------------------------------------------------------------------------
-def PS(expr a,b)= comMC[0][incr cntMC[0]]:=a; parMC[0][cntMC[0]]:=b; enddef;
-def ps_get(expr n)= cntC:=cntMC[0]; cntPS:=cntP;
-  for i=n upto cntP: PS(_jp_atom_abs,ps_adr[i]) PS(_push,1)
-    if ps_rot[i]<>0:  PS(_rot_ang,ps_rot[i]) fi
-    if ps_env[i]<>hz: PS(_chg_env,ps_env[i]) fi
-    if (ps_line[i]<>0)and(ps_line[i]<>nl): PS(_tmp_line,ps_line[i]) fi
-    if ps_len[i]<>crR: PS(_tmp_len,ps_len[i]) fi  PS(_chg_len,crR)
-    if ps_line[i]<>nl: if ps_line[i]=no: PS(_adj_ang,0) fi PS(_mk_bond,0) fi
-    for j=1 upto cntMC[ps_com[i]]: PS(comMC[ps_com[i]][j],parMC[ps_com[i]][j]) endfor 
-    PS(_pop,1) PS(_term,0)
+def PG(expr a,b)= comMC[0][incr cntMC[0]]:=a; parMC[0][cntMC[0]]:=b; enddef;
+def ps_get(expr n)=
+  cntC:=cntMC[0]; cntPS:=cntP;
+  for i=n upto cntP:
+    PG(_jp_atom_abs,ps_adr[i]) PG(_push,1)
+    for j=1 upto op_cnt[i]: PG(op_com[i][j],op_par[i][j]) endfor
+    for j=1 upto cntMC[ps_com[i]]: PG(comMC[ps_com[i]][j],parMC[ps_com[i]][j]) endfor 
+    PG(_pop,1) PG(_term,0)
   endfor
   proc_bond_atom(cntC+1); if cntP>cntPS: ps_get(cntPS+1); fi
 enddef;
@@ -379,9 +376,12 @@ def proc_bond_atom(expr n)=
   endfor
 enddef;
 %-------------------------------------------------------------------------------------------------
+def PP(expr a,b)= op_com[cntP][incr op_cnt[cntP]]:=a; op_par[cntP][op_cnt[cntP]]:=b; enddef;
 def ps_put(expr n,p)=
-  ps_adr[incr cntP]:=n; ps_com[cntP]:=p; ps_len[cntP]:=lenT;
-  ps_line[cntP]:=lineT; ps_rot[cntP]:=rotT; ps_env[cntP]:=envT;
+  ps_adr[incr cntP]:=n; ps_com[cntP]:=p; op_cnt[cntP]:=0;
+  if lineT<>0:  PP(_tmp_line,lineT) fi   if rotT<>0:   PP(_rot_ang,rotT) fi
+  if lenT<>crR: PP(_chg_len,lenT) fi     if envT<>hz:  PP(_chg_env,envT) fi
+  if lineT<>nl: if lineT=no: PP(_adj_ang,0) fi  PP(_mk_bond,0) fi
   if f_lineT=0: lineT:=si; fi  if f_lenT=0: lenT:=crR; fi 
   if f_rotT=0:  rotT:=0;   fi  if f_envT=0: envT:=hz;  fi
 enddef;
@@ -731,10 +731,10 @@ def mol_check=
   hide_H:=warning_cnt:=calc_weight:=calc_weightp:=0; calc_formula:="";
   for i=1 upto tbl_max: sumA[i]:=0; endfor
   for i=1 upto cntA: knownA:=nA:=0;
-    for j=1 upto cntB: if     (lineB[j]=dl)or(lineB[j]=dr)or(lineB[j]=dm): nB:=2;
-                       elseif (lineB[j]=tm): nB:=3; elseif lineB[j]=nl: nB:=0;
-                       elseif lineB[j]=0: nB:=0; else: nB:=1; fi
-                       if (sB[j]=i)or(eB[j]=i): nA:=nA+nB; fi endfor
+    for j=1 upto cntB: if     (lineB[j]=dl)or(lineB[j]=dr)or(lineB[j]=dm): bondC[j]:=2;
+                       elseif (lineB[j]=tm): bondC[j]:=3; elseif lineB[j]=nl: bondC[j]:=0;
+                       elseif lineB[j]=0: bondC[j]:=0; else: bondC[j]:=1; fi
+                       if (sB[j]=i)or(eB[j]=i): nA:=nA+bondC[j]; fi endfor
     Bcnt[i]:=nA;
     if com_str[strA[i]]="": com_str[strA[i]]:="C"; fi
     if com_str[strA[i]]="C": if nA<4: hide_H:=hide_H+(4-nA); fi fi
@@ -773,7 +773,7 @@ def checklist_out=
      fdr(10)(ypart(posA[i])/BL)&" )  "&fixed_l(8)(com_str[strA[i]])&"  "&fdr(3)(Bcnt[i]); endfor
   message "%Bond list---------------------------------------------------------";
   for i=1 upto cntB: if lineB[i]<>0: message "% "&fdr(3)(incr nA)&" "&fdr(3)(sB[i])&
-                     " -> "&fdr(3)(eB[i])&" ("&fdr(3)(lineB[i]-si+1)&")"; fi endfor
+                     " -> "&fdr(3)(eB[i])&" ("&fdr(3)(bondC[i]-si+1)&")"; fi endfor
   message "%Fomula / Molecular weight ---------------------------------------";
   if    calc_weightp<=40: calc_weight_str:=fdr(10)(calc_weight); 
   else: calc_weight_str:=fdr(10)(calc_weightp)&" * 100"; fi