mcf2graph (23aug15)

git-svn-id: svn://tug.org/texlive/trunk@38188 c570f23f-e606-0410-a88d-b1316a301751

1 files changed, 93 insertions, 65 deletions

diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
index 0263485267c..8576614b35c 100644
--- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
+++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
@@ -1,5 +1,5 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 3.58      Copyright (c) 2013-2015  Akira Yamaji
+% mcf2graph ver 3.59      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,
@@ -42,9 +42,10 @@ 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;
 %-------------------------------------------------------------------------------------------------
-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_weight:=sw_info_formula:=0;
+sw_numberA:=sw_numberB:=sw_mol_frame:=sw_logout:=sw_solid:=sw_expand:=sw_start_vector:=0;
+sw_font_frame:=sw_atom_frame:=sw_checklist:=sw_MOLfile:=0;
+sw_info_file:=sw_info_char:=1;  sw_info_lenx:=sw_info_leny:=sw_info_weight:=sw_info_formula:=0;
+char_num:=str_cnt:=size_changed:=proc_end:=0;
 if known green:  f_MP:=1;
   mp_log_name:=jobname&"-info.aux";
   if     ahlength=1: proc_end:=1;  fi                          % first molecular only
@@ -69,11 +70,11 @@ clearit;  chem_structure:=currentpicture;
 let DIV= /; let MUL= *; let LT= <; let GT= >; let AND= &; let :: = : ; let == = =;
 ?3:=?20:=??3:=??20:=Ph:=Ph1:=Ph2:=ph:=ph1:=ph2:=hz:=0;  vt:=1;
 first_def_number:=500; user_def_number:=2500; ab_def_number:=3000; unit_e:=1/2048;
-lr_margin:=tb_margin:=0.4mm;  ratio_cr:=-0.66;           ratio_atom_bond:=0.33;
-ratio_thickness_bond:=0.015;  offset_atom#:=0.7pt#;      max_bond_width:=0.15;
-ratio_pen_wd:=1.4;            ratio_bondgap_bond:=0.15;  ratio_zebra_gap:=0.12;
-ratio_zebra_black:=0.4;       ratio_wedge_bond:=0.15;    font_gap:=.066;
-offset_thick#:=0.2pt#;        offset_gap#:=0.3pt#;       offset_zebra_gap#:=0.1pt#;
+lr_margin:=tb_margin:=0.4mm;  ratio_chain_ring:= 0.66;   ratio_atom_bond:=0.36;
+ratio_thickness_bond:=0.015;  offset_atom#:=0.8pt#;      max_bond_width:=0.25;
+ratio_char_bond:=1.5;    ratio_bondgap_bond:=0.15;  ratio_zebra_gap:=0.12;
+ratio_zebra_black:=0.4;  ratio_wedge_bond:=0.15;    font_gap:=.066;
+offset_thick#:=0.2pt#;   offset_gap#:=0.3pt#;       offset_zebra_gap#:=0.1pt#;
 par_s=ASCII("{"); par_e=ASCII("}"); score_u=ASCII("_"); hat=ASCII("^");
 max_info_num:=12; for i:=1 upto max_info_num: info[i]:=":"; endfor
 def def_com(expr n)(text tx)= nA:=n; forsuffixes list=tx:: list:=nA; nA:=nA+1; endfor enddef;
@@ -83,15 +84,18 @@ def_com(-4000)(_term,_jp_atom,_jp_atom_abs,_jp_bond,_cyc,_cyc_sB,_cyc_eB,_set_li
  _set_clr,_set_adr,_mk_bond,_set_atom,_arg_ang,_chg_atom,_tmp_rot,_fuse,_push,_pop,_size_a);
 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;
+def parameter_list=  sw_checklist,sw_numberA,sw_numberB,sw_mol_frame,sw_logout,sw_solid,sw_expand,
+  sw_MOLfile,sw_start_vector,sw_atom_frame,sw_font_frame,
+  lr_margin,tb_margin,ratio_atom_bond,ratio_thickness_bond,ratio_char_bond,
+  ratio_chain_ring,offset_atom,max_bond_width,ratio_bondgap_bond,ratio_zebra_black,
+  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;
+  forsuffixes list=t: if list<>st_p[incr nA]: list:=st_p[nA]; fi endfor
+enddef;
 %-------------------------------------------------------------------------------------------------
 def beginfont(text s)=  mol_name:=mol_formula:=""; len_x:=len_y:=cntA:=info_num:=mol_weight:=0;
   store_par(parameter_list); ratio_bond_width:=1mm#/font_wd#;
@@ -100,11 +104,11 @@ def beginfont(text s)=  mol_name:=mol_formula:=""; len_x:=len_y:=cntA:=info_num:
     if substring (0,2) of list="FM": mol_formula:=substring (3,length(list)) of list; fi
     if substring (0,2) of list="MW": mol_weight:=scantokens(substring (3,length(list)) of list); fi
   endfor
-  beginchar(char_num,font_wd#,font_ht#,0);  clearit;  enddef;
+  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_font_frame=1: AUX(0,0)(draw_frame(font_wd,font_ht,(0,0),0.2pt);) fi
   if (sw_logout=1)or(sw_checklist=1)or(sw_MOLfile=1): mol_check; fi
   if sw_logout=1:    logfile_out; fi
   if sw_checklist=1: checklist_out; fi
@@ -116,15 +120,16 @@ def endfont=
   if proc_end=1: scantokens("bye"); fi
 enddef;
 %-------------------------------------------------------------------------------------------------
-def size_setup=  BL#       := font_wd#*ratio_bond_width;
-                 wedge_wd# := ratio_wedge_bond*BL#;
+def size_setup=  BL#        := font_wd#*ratio_bond_width;
+                 wedge_wd#  := ratio_wedge_bond*BL#;
                  zebra_gap# := ratio_zebra_gap*BL#+offset_zebra_gap#;
-                 AL#       := ratio_atom_bond*BL#+offset_atom#;
-                 gap#      := ratio_bondgap_bond*BL#+offset_gap#;
-                 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;
+                 AL#        := ratio_atom_bond*BL#+offset_atom#;
+                 gap#       := ratio_bondgap_bond*BL#+offset_gap#;
+                 bond_pen_wd#    := ratio_thickness_bond*BL#+offset_thick#;
+                 char_pen_wd#   := ratio_char_bond*bond_pen_wd#;
+                 define_pixels(BL,zebra_gap,wedge_wd,AL,gap,bond_pen_wd,char_pen_wd,font_wd,font_ht);
+                 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]);
@@ -150,14 +155,16 @@ 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=
@@ -198,14 +205,16 @@ 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;
@@ -262,17 +271,19 @@ def ps_get(expr n)= cntC:=cntMC[0]; cntPS:=cntP;
     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]<>ratio_cr: PS(_tmp_len,ps_len[i]) fi  PS(_chg_len,ratio_cr)
+    if ps_len[i]<>chainRT: PS(_tmp_len,ps_len[i]) fi  PS(_chg_len,chainRT)
     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)
   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 AUX(expr a,b)(text s)=s addto chem_structure also currentpicture shifted(a,b); clearit; enddef;
 def MCf(text s)= MCd(1,1)(.5,.5)(s); enddef;
 %-------------------------------------------------------------------------------------------------
-def MCd(expr RW,RH)(expr FW,FH)(text s)=    mc_num:=user_def_number; ab_num:=ab_def_number;
+def MCd(expr RW,RH)(expr FW,FH)(text s)=
+  mc_num:=user_def_number; ab_num:=ab_def_number; chainRT:=-ratio_chain_ring;
   adrA:=adrB:=cntA:=cntB:=adrS:=cntPS:=angA[0]:=angB[0]:=br_ang[0]:=sB[0]:=cntC:=cntP:=0;
   stkA[0]:=stkB[0]:=stkL[0]:=stkM[0]:=strAT:=f_lineT:=f_lenT:=f_envT:=f_rotT:=0;
   eB[0]:=1; com_str[0]:=""; lineT:=si; str_cnt:=2000; posA[0]:=posB[0]:=posB[1]:=(0,0);
@@ -291,19 +302,22 @@ def MCd(expr RW,RH)(expr FW,FH)(text s)=    mc_num:=user_def_number; ab_num:=ab_
     if     sw_numberA=1: put_string(i,posA[i],0,decimal(i),1); elseif sw_numberB=1:
     else:  put_string(i,posA[i],br_ang[i],com_str[strA[i]],strW[strA[i]]); fi  endfor
   sft_X:=-min_x+(font_wd-len_x)*FW; sft_Y:=-min_y+(font_ht-len_y)*FH;
+  if sw_mol_frame=1:    AUX(sft_X,sft_Y)(draw_frame(len_x,len_y,(min_x,min_y),0.2pt);) fi
+  if sw_start_vector=1: AUX(sft_X,sft_Y)(start_vector) fi
   addto chem_structure also currentpicture shifted (sft_X,sft_Y);
   clearit;
 enddef;
 %------------------------------------------------------------------------------------------------
-def draw_frame(expr LX,LY,PS,PN)=
-  draw unitsquare xscaled LX yscaled LY shifted PS wpcs PN; enddef;
+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;
+                   withpen penrazor rotated 90 scaled .8mm;
+  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;
-  stkL[0]:=B_len:=ratio_cr; lenT:=ratio_cr; stkA[1]:=stkB[1]:=1;
+  stkL[0]:=B_len:=chainRT; lenT:=chainRT; stkA[1]:=stkB[1]:=1;
   for i=n upto cntMC[0]:  com:= comMC[0][i]; par:=parMC[0][i];
   if     com=_push: 
     if par=1: stkL[adrS]:=B_len; stkA[incr adrS]:=adrA:=cntA; stkB[adrS]:=adrB:=cntB;
@@ -324,10 +338,10 @@ def proc_atom(expr n)=
   elseif com=_chg_atom:   strA[getA(adrT)]:=parMC[par][1];
   elseif com=_chg_len:  if par=_ring_len: B_len:=ring_len;
                         elseif par=0:
-                          if lenT<>ratio_cr: B_len:=lenT; else: if B_len<0: B_len:=1; fi fi
+                          if lenT<>chainRT: B_len:=lenT; else: if B_len<0: B_len:=1; fi fi
                         else: B_len:=par; fi
-  elseif com=_get_len:  if par=0: if B_len=ratio_cr: B_len:=lenT; fi
-                        else: ring_len:=lenB[getB(par)]; fi
+  elseif com=_get_len:  if par=0: if B_len=chainRT: B_len:=lenT; fi
+                         else: ring_len:=lenB[getB(par)]; fi
   elseif com=_tmp_len:  lenT:=par;
   elseif com=_set_line: lineB[getB(adrT)]:=par;
   elseif com=_dl:  lineB[getB(par)]:=dl;
@@ -340,8 +354,8 @@ def proc_atom(expr n)=
   elseif com=_tmp_env: envT:=par;
   elseif com=_set_clr:
      if par=1: if lineT<>si: f_lineT:=1; fi if rotT<>0:  f_rotT:=1; fi
-               if lenT<>ratio_cr: f_lenT:=1;  fi if envT<>hz: f_envT:=1; fi fi
-     if par=0: f_lineT:=f_rotT:=f_lenT:=f_envT:=rotT:=envT:=0; lineT:=si; lenT:=ratio_cr; fi
+               if lenT<>chainRT: f_lenT:=1;  fi if envT<>hz: f_envT:=1; fi fi
+     if par=0: f_lineT:=f_rotT:=f_lenT:=f_envT:=rotT:=envT:=0; lineT:=si; lenT:=chainRT; fi
   elseif com=_term:       termA;
   elseif com=_set_colorA: colorA[getA(adrT)]:=par;
   elseif com=_set_colorB: colorB[getB(adrT)]:=par;
@@ -351,14 +365,16 @@ 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_lineT=0: lineT:=si; fi  if f_lenT=0: lenT:=chainRT; fi 
+  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 lenT=chainRT: lenB[cntB]:=B_len; else: lenB[cntB]:=lenT; lenT:=chainRT; 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;
@@ -382,11 +398,11 @@ def proc_skelton=  stkA[1]:=stkB[1]:=1; envT:=env:=f_lineT:=f_rotT:=f_lenT:=f_en
   elseif (com>=_postA)and(com<=_postF): rotT:=0;
   elseif com=_chg_env: env:=par;
   elseif com=_tmp_env: envT:=par;
-  elseif com=_set_clr: f_clr:=par; if par=0: lineT:=si; lenT:=ratio_cr; rotT:=envT:=0; fi
+  elseif com=_set_clr: f_clr:=par; if par=0: lineT:=si; lenT:=chainRT; rotT:=envT:=0; fi
   elseif com=_cyc:     f_En:=1; proc_cyc(getA(par));
   elseif com=_cyc_sB:  f_En:=1; proc_cyc(sB[getB(par)]);
   elseif com=_cyc_eB:  f_En:=1; proc_cyc(eB[getB(par)]);
-  elseif com=_term:       termB;
+  elseif com=_term:    termB;
   fi
   endfor
 enddef;
@@ -401,7 +417,8 @@ def termB= if f_T=0: if f_Br=0: br_ang[incr cntA]:=angT; else: f_Br:=0; fi f_T:=
 def proc_cyc(expr n)= add_B(angle(posA[n]-posB[cntB+1])-angT);  enddef;
 def glu_c(expr n)=  if strA[n]<>0: nB:=angT mod 180; nC:=.5strW[strA[n]]*AL;
                     if (nB<45)or(nB>135):glu:=glu+((sind(nB)*nC)++nC);
-                    else                :glu:=glu+((cosd(nB)*.5AL)++.5AL) fi fi  enddef;
+                    else                :glu:=glu+((cosd(nB)*.5AL)++.5AL) fi fi
+enddef;
 %-------------------------------------------------------------------------------------------------
 def add_B(expr m)=
   cntB:=cntB+1; if m=_arg_ang: tn:=proc_env(angT,env,60,-60); else: tn:=m; fi
@@ -420,7 +437,8 @@ vardef proc_env(expr n,m,a,b)=  r:=(n mod 360);
   if m>=first_def_number: parMC[m][cntB-temp_cntB-1] else:
     if     m=hz:if r=0:a elseif r<=90:b elseif r<=180:a elseif r<270:b  else:a fi
     elseif m=vt:if r=0:b elseif r<90:a  elseif r<=180:b elseif r<=271:a else:b fi
-    elseif (m>=-180)and(m<=180): m fi fi  enddef;
+    elseif (m>=-180)and(m<=180): m fi fi
+enddef;
 %-------------------------------------------------------------------------------------------------
 def pic_c(expr i,s)= substring(i,i+1) of s enddef;
 def put_string(expr n,p,r,s,w)=
@@ -436,7 +454,8 @@ def put_string(expr n,p,r,s,w)=
       if (sw_numberA=1)or(sw_numberB=1):
         erase fill unitsquare xscaled nA yscaled AL shifted pairA wpcs 0.01pt; fi
       addto currentpicture also atom_font[nB] shifted (pairA-(0,atom_d[nB])) Cp(colorA[n]);
-      pairT:=pairT+(nA*dx,0); fi endfor  enddef;
+      pairT:=pairT+(nA*dx,0); fi endfor
+enddef;
 %-------------------------------------------------------------------------------------------------
 def wpcs expr n= withpen pencircle scaled n enddef;
 def sqr(expr WD,HT)= ((0,0)--(WD,0)--(WD,HT)--(0,HT)--cycle) enddef;
@@ -455,18 +474,19 @@ 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);
+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 put_bond(expr n,BP,EP,ANG,LN)=  nC:=length(posA[EP]-posA[BP]);
-if (nC>0)and(LN<>0): ww:=wedge_wd; hpt:=.5pen_wd; ap:=ANG+90; am:=ANG-90;
+if (nC>0)and(LN<>0): ww:=wedge_wd; hpt:=.5bond_pen_wd; ap:=ANG+90; am:=ANG-90;
   if sw_numberB=1: clipping(0,0,posA[BP],posA[EP],nC);
   else: clipping(strA[BP],strA[EP],posA[BP],posA[EP],nC); fi
-  pickup pencircle scaled pen_wd;
+  pickup pencircle scaled bond_pen_wd;
   if known colorB[n]: nB:=colorB[n]; fi
   if     LN=si:draw pA Cp(nB);
   elseif LN=dl:draw pA Cp(nB); draw sfB(pC,gap,ap) Cp(nB);
@@ -539,13 +559,15 @@ enddef;
 def font_size_set(expr m)(expr n)(expr o)(expr s)=%
   for j=0 upto length(s)-1: num_a:=ASCII(pic_c(j,s));
     if f_FON[num_a]=1: atom_w[num_a]:=m*AL; atom_h[num_a]:=n*AL; atom_d[num_a]:=o*AL; fi
-  endfor  enddef;
+  endfor
+enddef;
 def font_size_setup=  font_size_set(  1)(  1)(0)("CGHMNOQ");
                       font_size_set( .9)(  1)(0)("ABDEFIJKLPRSTUVWXYZ-+/><m");
                       font_size_set( .7)(  1)(0)(" ()0123456789nhj=*bdiltf");
                       font_size_set( .7)(  1)(.15)("pqg");
                       font_size_set( .7)( .8)(0)("acekosuvxzwry");
-                      font_size_set( .4)(  1)(0)(".,:;'`");  enddef;
+                      font_size_set( .4)(  1)(0)(".,:;'`");
+enddef;
 %------------------------------------------------------------------------------------------------
 def SP(expr a,b)expr p=subpath(a*length(p),b*length(p)) of p enddef;
 def vL= withpen penrazor scaled fP enddef; def hL= withpen penrazor rotated 90 scaled fP enddef;
@@ -561,9 +583,10 @@ 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;
+def font_setup=  pickup pencircle scaled char_pen_wd; fP:=char_pen_wd; hP:=.5char_pen_wd;
 FD(" ")();
 FD(".")(drawdot z19 wpcs fP);
 FD(",")(drawdot z19 wpcs fP; draw (hW+.5fP,hP)..(hW+.3fP,-fP)..(hW-.5fP,hP-2fP));
@@ -654,13 +677,15 @@ def fdr(expr n)(expr s)=fixed_r(n)(decimal(s)) enddef;
 def warning(expr s)= message "% "&decimal(char_num)&fdr(3)(incr warning_cnt)&")"&s&" !!!"; enddef;
 def B_check(expr s)(expr t)(expr n)=
   if com_str[strA[s]]=t: if nA>n:
-    warning(fdr(4)(s)&" ["&com_str[strA[s]]&"] has "&fdr(3)(nA)&" bonds"); fi fi  enddef;
+    warning(fdr(4)(s)&" ["&com_str[strA[s]]&"] has "&fdr(3)(nA)&" bonds"); fi fi
+enddef;
 vardef stripP(expr a)=if length(a)=4: substring (1,3) of a else: a fi enddef;
 def STa(expr a,b)= tblA[incr tbl_cnt]:=a; tblN[tbl_cnt]:=0; wtA[tbl_cnt]:=b; enddef;
 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);
@@ -711,7 +736,8 @@ def checklist_out=  nA:=0; calc_weight_str:="";
   message "%  width * height = " & fdr(8)(max_x-min_x)&" * "&fdr(8)(max_y-min_y);
   message "%  Shift width * height  = "& fdr(8)(min_x)&" * "&fdr(8)(min_y);
   message "%  Bond length = "&fdr(3)(BL)&"   Atom size   = "&fdr(3)(AL);
-  message "%  Atom count="&fdr(3)(cntA)&" Bond count="&fdr(3)(cntB)&" Ring count="&fdr(3)(cntB-cntA+1);
+  message "%  Atom count="&fdr(3)(cntA)&" Bond count="&fdr(3)(cntB)&
+          " Ring count="&fdr(3)(cntB-cntA+1);
   message "% Hide H = "&fdr(3)(hide_H);
   message "%-----------------------------------< atom >< bond >-------";
   for i=1 upto cntA: message "%  "&fdr(3)(i)&"  ("&fdr(10)(xpart(posA[i])/BL)&" ) ("&
@@ -729,7 +755,8 @@ def checklist_out=  nA:=0; calc_weight_str:="";
   message "% Weight  Calc: " &calc_weight_str &" / Input: "
     if mol_weight>0: &decimal(mol_weight) &" / weight gap= " &decimal(calc_weight-mol_weight) fi;
   message "% Fomula  Calc: "&calc_formula&" / Input: "
-    if mol_formula<>"":&mol_formula&" / "& if mol_formula=calc_formula: "MACTCH" else: "NOT MACTCH" fi fi;
+    if mol_formula<>"":&mol_formula&" / "& 
+      if mol_formula=calc_formula: "MACTCH" else: "NOT MACTCH" fi fi;
   message "%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%";
 enddef;
 %------------------------------------------------------------------------------------------------
@@ -745,5 +772,6 @@ def MOL_out=  mp_log_name:=jobname&"-"&fit_zero(char_num)&decimal(char_num)&"-"&
     elseif (lineB[i]=zf)or(lineB[i]=wb)or(lineB[i]=dt): nB:=6;
     elseif lineB[i]=wv: nB:=4;  else: nA:=1; nB:=0; fi
     printf fdr(3)(sB[i])&fdr(3)(eB[i])&fdr(3)(nA)&fdr(3)(nB)&"     0  0"; fi endfor
-  printf "M  END";  enddef;
+  printf "M  END";
+enddef;
 %------------------------------------------------------------------------------------------------