mcf2graph (23jul17)

git-svn-id: svn://tug.org/texlive/trunk@44875 c570f23f-e606-0410-a88d-b1316a301751

1 files changed, 38 insertions, 56 deletions

diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
index 92631563f66..48c2b301b3a 100644
--- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
+++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
@@ -1,5 +1,5 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 4.24     Copyright (c) 2013-2017   Akira Yamaji
+% mcf2graph ver 4.25     Copyright (c) 2013-2017   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,
@@ -100,10 +100,6 @@ offset_atom:=0.8pt;           offset_wedge:=0.4pt;       thickness_font_frame:=0
 max_bond_length:=10mm;        bond_len:=8mm;
 font_wd:=30mm;                font_ht:=20mm;
 %==================================================================================================
-%%%%defaultfont:="uhvr8r";      % Helvetica
-%%%%defaultfont:="ucrr8r";      % Courier
-%%%%defaultfont:="ucrb8r";      % Courier bold
-%%%%defaultfont:="utmr8r";      % Times
 ahangle:=45;
 ahlength:=4bp;
 defaultsize:=8bp;
@@ -129,7 +125,7 @@ def parameter_list=
   sw_atom_frame,sw_font_frame,sw_subst_off,sw_bond_single,sw_clip,sw_arrow,
   margin_left_right,margin_top_bottom,ratio_atom_bond,ratio_thickness_bond,ratio_char_bond,
   ratio_chain_ring,ratio_bondgap_bond,ratio_zebra_black,ratio_zebragap_bond,
-  ratio_wedge_bond,ratio_atomgap_atom,ratio_bond_width,font_wd,font_ht,labeloffset,
+  ratio_wedge_bond,ratio_atomgap_atom,ratio_bond_width,font_wd,font_ht,
   bond_len,offset_atom,offset_wedge,max_bond_length,offset_zebra_gap,offset_bond_gap,
   thickness_font_frame,offset_thickness,numberA_start,numberA_end,numberB_start,numberB_end,
   atomfontsize,defaultsize,defaultscale,labeloffset
@@ -335,52 +331,45 @@ def ext_setup=
   labeloffset:=3bp;
   em=defaultscale*defaultsize;
   if (defaultfont="draw")or(f_MP=0):
+    save label,dotlabel;
     def label = label_emu enddef;
     def dotlabel = dotlabel_emu enddef;
   fi
-  if sw_arrow=0:
+  if (sw_arrow=0)or(f_MP=0):
+    save drawarrow,drawdblarrow;
     def drawarrow = drawarrow_emu enddef;
     def drawdblarrow = drawdblarrow_emu enddef;
   fi
 enddef;
 %--------------------------------------------------------------------------------------------------
-def EXT(text s)=
+def EXT(text TXT)=
   begingroup
   save w,h,wd,ht,n,p,am,em,aw;
   pair p[];
   ext_setup;
-  w:=font_wd;
-  h:=font_ht;
-  wd:=w-2margin_left_right;
-  ht:=h-2margin_top_bottom;
+  w:=font_wd; h:=font_ht;
+  wd:=w-2margin_left_right; ht:=h-2margin_top_bottom;
   p0:=(margin_left_right,margin_top_bottom);
   aw:=atom_wd;
   n:=cntM;
   for i=1 upto n: p[i]:=posM[1][i]; endfor
-  s addto mol_stru[0] also currentpicture; clearit; f_ext:=1;
+  TXT addto mol_stru[0] also currentpicture; clearit; f_ext:=1;
   endgroup;
 enddef;
 %--------------------------------------------------------------------------------------------------
-def ext(text s)=
+def ext(text TXT)=
   begingroup
-  save wd,ht,n,l,p,am,em,aw,A,B,Bs,Be;
-  numeric A[]bra,B[]ang;
-  pair p[],A[],B[],Bs[],Be[];
+  save wd,ht,n,l,p,am,em,aw,A,B;
+  numeric A[]dir,B[]dir;
+  pair p[],A[],B[],B[]s,B[]e;
   ext_setup;
-  wd:=mol_wd;
-  ht:=mol_ht;
-  l:=bond_len;
-  aw:=atom_wd;
-  p0:=(minX,minY);
-  An:=cntA;
-  Bn:=cntB;
-  for i=1 upto An: A[i]:=posA[i]; A[i]bra:=ang_br[i]; endfor
+  wd:=mol_wd; ht:=mol_ht; l:=bond_len; aw:=atom_wd;
+  p0:=(minX,minY); An:=cntA; Bn:=cntB;
+  for i=1 upto An: A[i]:=posA[i]; A[i]dir:=ang_br[i]; endfor
   for i=1 upto Bn:
-    Bs[i]:=posA[sB[i]]; Be[i]:=posA[eB[i]];
-    B[i]:=0.5[Bs[i],Be[i]];
-    B[i]ang:=angB[i];
+    B[i]s:=posA[sB[i]]; B[i]e:=posA[eB[i]]; B[i]:=0.5[B[i]s,B[i]e]; B[i]dir:=angB[i];
   endfor
-  s addto mol_stru[cntM] also currentpicture; clearit;
+  TXT addto mol_stru[cntM] also currentpicture; clearit;
   endgroup;
 enddef;
 %==================================================================================================
@@ -747,7 +736,7 @@ def add_bond(expr m)=
   if f_end=0:
     if lenB[cntB+1]=_size_a: posBe:=sfB(posBs,atom_wd,angT);
     else:
-      nA:=lenB[cntB+1];glu:=0; if nA<0: nA:=-nA; glu_c(adrT); glu_c(cntA+1); fi
+      nA:=lenB[cntB+1]; glu:=0; if nA<0: nA:=-nA; glu_c(adrT); glu_c(cntA+1); fi
       posBe:=sfB(posBs,nA*bond_len+glu,angT);
     fi
     posA[cntA+1]:=posBe; f_term:=0;
@@ -841,7 +830,11 @@ def draw_bond(expr NN,BP,EP,ANG,LN)=
     elseif LN=zf:wz_put(Ls,sfB(Le,ww,ap),sfB(Le,ww,am),nB);
     elseif LN=zb:wz_put(Le,sfB(Ls,ww,am),sfB(Ls,ww,ap),nB);
     elseif LN=dt:for i=0 step .75zebra_gap/length(Le-Ls) until 1: drawdot i[Ls,Le]; endfor
-    elseif LN=wv:draw_wv;
+    elseif LN=wv:nB:=3bond_pen_wd; nA:=nB/length(Le-Ls);
+                  draw Le for i=1 upto 1/nA:
+                    if odd(i): ..controls(((i-.5)*nA)[sfB(Le,nB,ap),sfB(Ls,nB,ap)])
+                    else: ..controls(((i-.5)*nA)[sfB(Le,nB,am),sfB(Ls,nB,am)]) fi
+                          ..(i*nA)[Le,Ls] endfor ..Ls;
     elseif LN=vf:draw pA Cp(nB);draw sfB(Le,bondgap,ANG-150)--Le--sfB(Le,bondgap,ANG+150) Cp(nB);
     elseif LN=vb:draw pA Cp(nB);draw sfB(Ls,bondgap,ANG-30)--Ls--sfB(Ls,bondgap,ANG+30) Cp(nB);
     elseif LN=si_:erase draw 0.15[Ls,Le]--0.85[Ls,Le] wpcs 0.8bondgap; draw pA Cp(nB);
@@ -862,11 +855,6 @@ def draw_bond(expr NN,BP,EP,ANG,LN)=
   fi
   endgroup
 enddef;
-%-------------------------------------------------------------------------------------------------
-def draw_wv=  nB:=3bond_pen_wd; nA:=nB/length(Le-Ls);
-  draw Le for i=1 upto 1/nA: if odd(i): ..controls(((i-.5)*nA)[sfB(Le,nB,ap),sfB(Ls,nB,ap)])
-  else: ..controls(((i-.5)*nA)[sfB(Le,nB,am),sfB(Ls,nB,am)]) fi ..(i*nA)[Le,Ls] endfor ..Ls;
-enddef;
 %------------------------------------------------------------------------------------------------
 def wpcs expr n= withpen pencircle scaled n enddef;
 def wpss expr n= withpen pensquare scaled n enddef;
@@ -901,8 +889,7 @@ lr:='(60 for i==1 upto 10:: ,-60,60 endfor); rl:='(-60,lr);
 def ring expr n= <((-180 DIV n)-90),(_chg_len,0),
   for i==2 upto n:: ,(360 DIV n) endfor,(_cyc_sB,1-n) enddef;
 for i=3 upto 20: ?[i]:='(|:,ring i,:|); endfor
-Ph:=Ph1:='(?6,(_dl,-2),(_dl,-4),(_dl,-6));
-Ph2:='(?6,(_dl,-1),(_dl,-3),(_dl,-5));
+Ph:=Ph1:='(?6,(_dl,-2),(_dl,-4),(_dl,-6)); Ph2:='(?6,(_dl,-1),(_dl,-3),(_dl,-5));
 !:=!1:='((_mk_bond,_arg_ang)); !!:='(!,(_mb,db)); !!!:='(!,(_mb,tm));  !0:='(<180,180);
 for i=2  upto 20: ![i]:='(|:,(_get_len,0),! for j==2 upto i::,! endfor,:|); endfor
 Me:='(); Et:=!; Pr:=!2; Bu:=!3;
@@ -1114,30 +1101,18 @@ STa("F"   ,18.9984,   18.99840316273);  STa("{Fe}",55.845,    55.93493633);
 STa("{Hg}",200.59,   201.97064340);     STa("I"   ,126.90447,126.9044719);
 STa("K"   ,39.0983,   38.9637064864);   STa("{Li}",6.941,      7.0160034366);
 STa("{Mg}",24.305,    23.985041697);    STa("{Mn}",54.938044, 54.93804391);
-STa("N"   ,14.0067,   14.00307400443); STa("{Na}",22.98977,   22.9897692820);
-STa("{Ni}",58.693,    57.93534241);    STa("O"   ,15.9994,    15.99491461957);
-STa("P"   ,30.973762, 30.97376199842); STa("S"   ,32.065,     31.9720711744);
-STa("{Se}",78.971,    79.9165218);     STa("{Si}",28.0855,    27.97692653465);
+STa("N"   ,14.0067,   14.00307400443);  STa("{Na}",22.98977,  22.9897692820);
+STa("{Ni}",58.693,    57.93534241);     STa("O"   ,15.9994,   15.99491461957);
+STa("P"   ,30.973762, 30.97376199842);  STa("S"   ,32.065,    31.9720711744);
+STa("{Se}",78.971,    79.9165218);      STa("{Si}",28.0855,   27.97692653465);
 STa("{Sn}",118.71,   119.90220163);     STa("{Ti}",47.867,    47.94794198);
 STa("{Zn}",65.409,    63.92914201);
 %--------------------------------------------------------------------------------------------------
 STb("{H_2_}")("H","H"); STb("OH")("O","H"); STb("O{Na}")("O","{Na}"); STb("CN")("C","N");
 STb("SH")("S","H"); STb("CHO")("C","H","O");  STb("N{O_2_}")("N","O","O");
-STb("N{H_2_}")("N","H","H");
-STb("S{O_3_}")("S","O","O","O"); STb("COOH")("C","O","O","H");
+STb("N{H_2_}")("N","H","H"); STb("S{O_3_}")("S","O","O","O"); STb("COOH")("C","O","O","H");
 STb("C{H_3_}")("C","H","H","H"); STb("C{F_3_}")("C","F","F","F");
 %==================================================================================================
-def proc_get_info=
-  for j=1 upto inf_num:
-    nA:=0; for i=0 upto length(info[j]): if pic_c(i,info[j])=":": nA:=i; fi exitif nA>0; endfor
-    if nA>0:
-      s_tag:=substring (0,nA) of info[j];
-      s_var:=substring (nA+1,length(info[j])) of info[j];
-      if known scantokens("inf_"&s_tag): scantokens("inf_"&s_tag):=s_var; fi
-    fi
-  endfor
-enddef;
-%==================================================================================================
 def proc_calc_out=
   begingroup
   save warning_cnt,cal_MW,MWp,knownA,cal_FM,bondC,tmp_wtp,bond_cnt,cnt_hide_H,
@@ -1148,7 +1123,14 @@ def proc_calc_out=
   inf_NO:=inf_EN:=inf_JN:=inf_FM:=inf_CAS:=inf_USE:=inf_EXA:=inf_EXB:=inf_MW:="";
   cal_MW:=cal_MW_str:=cal_FM:=""; cnt_hide_H:=warning_cnt:=MW_num:=MI_num:=MWp:=0;
   %------------------------------------------------------------------------------------------
-  proc_get_info;
+  for j=1 upto inf_num:
+    nA:=0; for i=0 upto length(info[j]): if pic_c(i,info[j])=":": nA:=i; fi exitif nA>0; endfor
+    if nA>0:
+      s_tag:=substring (0,nA) of info[j];
+      s_var:=substring (nA+1,length(info[j])) of info[j];
+      if known scantokens("inf_"&s_tag): scantokens("inf_"&s_tag):=s_var; fi
+    fi
+  endfor
   for i=1 upto tbl_cnt: sumA[i]:=0; endfor
   for i=1 upto cntA:
     knownA:=bond_cnt:=0;