mcf2graph (14aug15)

git-svn-id: svn://tug.org/texlive/trunk@38124 c570f23f-e606-0410-a88d-b1316a301751

1 files changed, 36 insertions, 41 deletions

diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
index c1862e2cb2b..b7a841c9ca2 100644
--- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
+++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
@@ -1,6 +1,6 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 3.55      Copyright (c) 2013-2015  Akira Yamaji
-% 
+% mcf2graph ver 3.57      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,
 % including without limitation the rights to use, copy, modify, merge, publish, distribute,
@@ -44,6 +44,7 @@ picture atom_font[],chem_structure,temp_picture;
 %-------------------------------------------------------------------------------------------------
 sw_numberA:=sw_numberB:=sw_frame:=sw_logout:=sw_solid:=sw_expand:=sw_start_vector:=0;
 sw_atom_frame:=sw_checklist:=sw_MOLfile:=char_num:=str_cnt:=size_changed:=proc_end:=0;
+sw_info_file:=sw_info_char:=1; sw_info_lenx:=sw_info_leny:=sw_info_mw:=sw_info_fm:=0;
 if known green:  f_MP:=1;
   mp_log_name:=jobname&"-info.aux";
   if     ahlength=1: proc_end:=1;  fi                          % first molecular only
@@ -85,27 +86,25 @@ def_com(1)(si,dl,dr,dm,tm,wf,wb,bd,zf,zb,ov,dt,no,ar,vf,vb,wv,nl);
 def parameter_list=  sw_checklist,sw_numberA,sw_numberB,sw_frame,sw_logout,sw_solid,sw_expand,
   sw_MOLfile,sw_start_vector,sw_atom_frame,lr_margin,tb_margin,ratio_atom_bond,ratio_thickness_bond,
   ratio_cr,offset_atom,max_bond_width,ratio_pen_wd,ratio_bondgap_bond,ratio_zebra_black,
-  ratio_zebra_gap,ratio_wedge_bond,font_gap,offset_zebra_gap,offset_gap,offset_thick
-enddef;
+  ratio_zebra_gap,ratio_wedge_bond,font_gap,offset_zebra_gap,offset_gap,offset_thick  enddef;
 %-------------------------------------------------------------------------------------------------
 nA:=0; for list=parameter_list: st_p[incr nA]:=list; endfor
 def store_par(text t)= nA:=0; for list=t: if st_p[incr nA]<>list: st_p[nA]:=list; fi endfor enddef;
 def restore_par(text t)=  nA:=0;
   forsuffixes list=t: if list<>st_p[incr nA]: list:=st_p[nA]; fi endfor enddef;
 %-------------------------------------------------------------------------------------------------
-def beginfont(text s)=  mol_name:=""; len_x:=len_y:=cntA:=0;
+def beginfont(text s)=  mol_name:=""; len_x:=len_y:=cntA:=info_num:=0;
   store_par(parameter_list); ratio_bond_width:=1mm#/font_wd#;
-  for i:=1 upto 12: if info[i]<>":": info[i]:=":"; fi endfor 
-  for list=s: cntA:=cntA+1; info[cntA]:=list;
-    if substring (0,2) of list="EN":
-      mol_name:=substring (3,length(list)) of list; fi exitif cntA=11; endfor
-  beginchar(char_num,font_wd#,font_ht#,0);  clearit;
-enddef;
+  for list=s: info_num:=info_num+1; info[info_num]:=list;
+    if substring (0,2) of list="EN": mol_name:=substring (3,length(list)) of list; fi endfor
+  beginchar(char_num,font_wd#,font_ht#,0);  clearit;  enddef;
 %-------------------------------------------------------------------------------------------------
 def endfont=
   if sw_frame=1:        AUX(draw_frame(len_x,len_y,(min_x,min_y),0.2pt);) fi
-  if sw_start_vector=1: AUX(start_vector) fi        if sw_logout=1:  logfile_out; fi
-  if sw_checklist=1: mol_check; checklist_out; fi   if sw_MOLfile=1: mol_check; MOL_out; fi
+  if sw_start_vector=1: AUX(start_vector) fi
+  if sw_checklist=1: mol_check; checklist_out; fi
+  if sw_MOLfile=1: mol_check; MOL_out; fi
+  if sw_logout=1:  logfile_out; fi
   char_num:=char_num+1;  currentpicture:=chem_structure; chem_structure:=nullpicture;
   restore_par(parameter_list);
   if size_changed=1: font_wd#:=stock_wd#; font_ht#:=stock_ht#; size_changed:=0; fi
@@ -121,8 +120,7 @@ def size_setup=  BL#       := font_wd#*ratio_bond_width;
                  pen_wd#    := ratio_thickness_bond*BL#+offset_thick#;
                  Apen_wd#   := ratio_pen_wd*pen_wd#;
                  define_pixels(BL,zebra_gap,wedge_wd,AL,gap,pen_wd,Apen_wd,font_wd,font_ht);
-                 font_size_setup;
-enddef;
+                 font_size_setup;  enddef;
 %-------------------------------------------------------------------------------------------------
 def scaling=  min_x:=min_y:= 4095.999; max_x:=max_y:=-4095.999;
 for i=1 upto cntA: xpos:=xpart(posA[i]); ypos:=ypart(posA[i]);
@@ -148,16 +146,14 @@ enddef;
 def resize(expr WD,HT)=
   if (len_y/len_x)>(font_ht/font_wd): factor:=(font_ht*HT-2tb_margin)/len_y;
   else:                               factor:=(font_wd*WD-2lr_margin)/len_x; fi
-  ratio_bond_width:=ratio_bond_width*factor; len_x:=len_x*factor; len_y:=len_y*factor;
-enddef;
+  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");
 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
     else: for i=1 upto cntA: if strA[i]<>0: for j=0 upto length(com_str[strA[i]])-1:
-           f_FON[ASCII(pic_c(j,com_str[strA[i]]))]:=1; endfor fi endfor fi
-enddef;
+           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=
@@ -198,16 +194,14 @@ enddef;
 %-------------------------------------------------------------------------------------------------
 def !?(expr a)(expr b)(expr c) =  PB(_jp_bond,a) PB(_get_len,a) PB(_push,c)
   PB(_chg_len,_ring_len) for i==1 upto b-2:: PB(_mk_bond,360 DIV b) endfor  PB(_pop,c)
-  if a>=1:: PB(_cyc_eB,0) elseif a<=0:: PB(_cyc_eB,a-b+2) else:: PB(_cyc_eB,a) fi
-enddef;
+  if a>=1:: PB(_cyc_eB,0) elseif a<=0:: PB(_cyc_eB,a-b+2) else:: PB(_cyc_eB,a) fi  enddef;
 %-------------------------------------------------------------------------------------------------
 def !!?(expr a)(expr b)(expr c)(expr n) =  PB(_jp_bond,xpart(a)) PB(_push,n)
   if     b==6:: PB(_chg_len,0) for i==1 upto c-1:: PB(_mk_bond,60) endfor
   elseif b==5:: if     c==2:: PB(_chg_len,1.25) PB(_mk_bond,80)
                 elseif c==3:: PB(_chg_len,1.1)  PB(_mk_bond,78) PB(_mk_bond,72) fi
   elseif b==4:: PB(_chg_len,1.225) PB(_mk_bond,105) fi
-  PB(_pop,n) if ypart(a)<=0:: PB(_cyc_eB,ypart(a)-c+1) else:: PB(_cyc_eB,ypart(a)) fi
-enddef;
+  PB(_pop,n) 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 $$(text t)(expr e) = begingroup  save cntBS; cntBS:=0; ab_num:=ab_num+1;
@@ -269,8 +263,7 @@ def ps_get(expr n)= cntC:=cntMC[0]; cntPS:=cntP;
     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)
   endfor
-  proc_atom(cntC+1); if cntP>cntPS: ps_get(cntPS+1); fi
-enddef;
+  proc_atom(cntC+1); if cntP>cntPS: ps_get(cntPS+1); fi  enddef;
 %-------------------------------------------------------------------------------------------------
 def AUX(text s)=s addto chem_structure also currentpicture shifted(sft_X,sft_Y); clearit; enddef;
 def MCf(text s)= MCd(1,1)(.5,.5)(s); enddef;
@@ -302,8 +295,7 @@ def draw_frame(expr LX,LY,PS,PN)=
   draw unitsquare xscaled LX yscaled LY shifted PS wpcs PN; enddef;
 def start_vector= draw (posA[1] shifted (-1mm,0))--(posA[1] shifted (-4mm,0))
                         withpen penrazor rotated 90 scaled .8mm;
-  fill (posA[1] shifted (-2mm,-1mm))--posA[1]--(posA[1] shifted (-2mm,1mm))--cycle;
-enddef;
+  fill (posA[1] shifted (-2mm,-1mm))--posA[1]--(posA[1] shifted (-2mm,1mm))--cycle;  enddef;
 %------------------------------------------------------------------------------------------------
 def proc_atom(expr n)= 
   f_Br:=f_En:=f_T:=rotT:=adrS:=f_lineT:=f_rotT:=f_lenT:=f_envT:=envT:=env:=0;
@@ -356,15 +348,13 @@ 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;
   if f_lineT=0: lineT:=si; fi  if f_lenT=0: lenT:=ratio_cr; fi 
-  if f_rotT=0:  rotT:=0;   fi  if f_envT=0: envT:=hz;  fi
-enddef;
+  if f_rotT=0:  rotT:=0;   fi  if f_envT=0: envT:=hz;  fi  enddef;
 %-------------------------------------------------------------------------------------------------
 def add_atom=  lineB[incr cntB]:=lineT; lineT:=si;
   if lenT=ratio_cr: lenB[cntB]:=B_len; else: lenB[cntB]:=lenT; lenT:=ratio_cr; fi
   if f_Br=0:  cntA:=cntA+1; sB[cntB]:=cntA; strA[cntA]:=strAT; strAT:=0;
               if f_MP=1: colorA[cntA]:=colorB[cntA]:=0; fi  else: f_Br:=0; fi
-  if f_En=0: eB[cntB]:=cntA+1; f_T:=0; else: eB[cntB]:=f_En; f_En:=0; f_T:=1; fi
-enddef;
+  if f_En=0: eB[cntB]:=cntA+1; f_T:=0; else: eB[cntB]:=f_En; f_En:=0; f_T:=1; fi  enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 def proc_skelton=  stkA[1]:=stkB[1]:=1; envT:=env:=f_lineT:=f_rotT:=f_lenT:=f_envT:=0;
                    adrA:=adrB:=cntA:=cntB:=angT:=adrS:=f_En:=f_Br:=rotT:=f_T:=0;
@@ -461,8 +451,7 @@ def clipping(expr SA,SB,PA,PB,LEN)= pT:=PA--PB; tn:=0.6AL/LEN;
   elseif SB=0: Ls:= cut_off(pT,AL*strW[SA],AL,PA); Le:=PB;
      pA:=Ls--Le; pB:=tn[PA,PB]--Le; pC:=Ls--(0.1)[PB,PA];
   else: Ls:=cut_off(pT,AL*strW[SA],AL,PA); Le:=cut_off(pT,AL*strW[SB],AL,PB);
-        pB:=tn[PA,PB]--tn[PB,PA]; pC:=pA:=Ls--Le; fi
-enddef;
+        pB:=tn[PA,PB]--tn[PB,PA]; pC:=pA:=Ls--Le; fi  enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 def draw_wv=  nB:=3pen_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)])
@@ -494,11 +483,15 @@ if (nC>0)and(LN<>0): ww:=wedge_wd; hpt:=.5pen_wd; ap:=ANG+90; am:=ANG-90;
 enddef;
 %-------------------------------------------------------------------------------------------------
 vardef fit_zero(expr n)=if n<=9: "00" elseif n<=99: "0" fi enddef;
+def info_c(expr sw,c,cc)= if sw=1: &"{"&c&":"&cc&"}" fi enddef;
+def info_n(expr sw,c,n)= if sw=1: &"{"&c&":"&decimal(n)&"}" fi enddef;
 def logfile_out=
-  printf "%";
-  printf "\MOLinfo" for i=1 upto max_info_num: &"{"&info[i]&"}" endfor &"%";
-  printf "\MCFinfo{"&jobname&"}{"&decimal(char_num)&"}{"&mp_filename&"}{"&decimal(len_x)
-        &"}{"&decimal(len_y)&"}{"&decimal(ratio_bond_width)&"}{"&decimal(cntA)&"}{}{}%";  enddef;
+  printf "\INFO{"
+    info_c(sw_info_file,"F",jobname)  info_n(sw_info_char,"C",char_num)
+    info_n(sw_info_lenx,"Lx",len_x)   info_n(sw_info_leny,"Ly",len_y)
+    info_n(sw_info_mw,"Mw",Mol_wt)    info_c(sw_info_fm,"Fm",fomula_str)
+    for i=1 upto info_num: &"{"&info[i]&"}" endfor &"}%";
+enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 mc_num:=first_def_number;
 lr:='(60 for i==1 upto 10:: ,-60,60 endfor); rl:='(-60,lr);
@@ -564,7 +557,7 @@ if f_FON[ASCII(c)]=1:
   z10=(fW,hH); z12=( 0,fH); z13=(hP,fH); z14=(hW,fH); z16=(aW,fH); z18=(hP,aH); z19=(hW,hP);
   s;
   atom_font[ASCII(c)]:=currentpicture shifted (font_gap*AL,font_gap*AL);
-  clearxy; save x,y; clearit; fi enddef;
+  clearxy; save x,y; clearit; fi  enddef;
 %-------------------------------------------------------------------------------------------------
 def font_setup=  pickup pencircle scaled Apen_wd; fP:=Apen_wd; hP:=.5Apen_wd;
 FD(" ")();
@@ -663,7 +656,7 @@ def STa(expr a,b)= tblA[incr tbl_cnt]:=a; tblN[tbl_cnt]:=0; wtA[tbl_cnt]:=b; end
 def STb(expr a)(text s)=  tblA[incr tbl_cnt]:=a; tblN[tbl_cnt]:=0;
   for list=s: tblN[tbl_cnt]:=tblN[tbl_cnt]+1;
     for j=1 upto tbl_max: if list=tblA[j]: tblB[tbl_cnt][tblN[tbl_cnt]]:=j; fi endfor
-  endfor enddef;
+  endfor  enddef;
 %-------------------------------------------------------------------------------------------------
 tbl_cnt:=0;
 STa("C",12.0107); STa("H",1.00794);  STa("{Al}",26.9815); STa("{As}",74.9236); STa("B",10.811);
@@ -696,7 +689,8 @@ def mol_check=  hide_H:=warning_cnt:=0; for i=1 upto tbl_max: sumA[i]:=0; endfor
         knownA:=1; fi  endfor
     if knownA=0: warning(" Unknown Str("&com_str[strA[i]]&") is used "&decimal(i)); fi
   endfor
-  sumA[2]:=sumA[2]+hide_H;  enddef;
+  sumA[2]:=sumA[2]+hide_H;
+enddef;
 %-------------------------------------------------------------------------------------------------
 def checklist_out=  Mol_wt:=Mol_wtp:=nA:=0; fomula_str:="";
   message "%  There were "&fdr(3)(warning_cnt)&" warnings";
@@ -724,7 +718,8 @@ def checklist_out=  Mol_wt:=Mol_wtp:=nA:=0; fomula_str:="";
            if Mol_wtp<=40: &fdr(10)(Mol_wt); else: &fdr(10)(Mol_wtp)&" * 100"; fi
   message "% --------------------------------------";
   message "% Molecular Fomula: "&fomula_str;
-  message "%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%";  enddef;
+  message "%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%";
+enddef;
 %------------------------------------------------------------------------------------------------
 def MOL_out=  mp_log_name:=jobname&"-"&fit_zero(char_num)&decimal(char_num)&"-"&mol_name&".mol";
   printf ""; printf "  -MCFtoMOL- "&fixed_l(20)(info[1]); printf "";