mcf2graph (3jan19)

git-svn-id: svn://tug.org/texlive/trunk@49588 c570f23f-e606-0410-a88d-b1316a301751

1 files changed, 144 insertions, 92 deletions

diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
index 3e9507270bc..09af723c895 100644
--- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
+++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
@@ -1,5 +1,5 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 4.34     Copyright (c) 2013-2018   Akira Yamaji
+% mcf2graph ver 4.35     Copyright (c) 2013-2019   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,
@@ -22,20 +22,21 @@
 % This package is located at : http://www.ctan.org/pkg/mcf2graph
 % Suggestion or request mail to : mcf2graph@gmail.com 
 %----------------------------------------------------------------------------------------------
-% Set output no image file             : mpost -s bboxmargin=0   FILENAME
-% Set output first font only           : mpost -s bboxmargin=1   FILENAME
-% Set outputformat to "png"            : mpost -s ahangle=1      FILENAME
-% Set outputformat to "svg"            : mpost -s ahangle=2      FILENAME
-% Set outputformat to "eps"            : mpost -s ahangle=3      FILENAME
-% Set output aux file                  : mpost -s ahlength=1     FILENAME
-% Set output report                    : mpost -s ahlength=2     FILENAME
-% Set output MOL(V2000)                : mpost -s ahlength=5     FILENAME
-% Set output MOL(V3000)                : mpost -s ahlength=6     FILENAME
-% Set to use plain.mp label,arrow      : mpost -s labeloffset=1  FILENAME
-% Set to use plain.mp label,arrow,atom : mpost -s labeloffset=2  FILENAME
+% Set output no image file                   : mpost -s bboxmargin=0   FILENAME
+% Set output first font only                 : mpost -s bboxmargin=1   FILENAME
+% Set outputformat to "eps"(.mps)            : mpost -s ahangle=0      FILENAME
+% Set outputformat to "png"                  : mpost -s ahangle=1      FILENAME
+% Set outputformat to "svg"                  : mpost -s ahangle=2      FILENAME
+% Set outputformat to "eps" (.eps)           : mpost -s ahangle=3      FILENAME
+% Set output aux file                        : mpost -s ahlength=1     FILENAME
+% Set output report                          : mpost -s ahlength=2     FILENAME
+% Set output MOL(V2000)                      : mpost -s ahlength=5     FILENAME
+% Set output MOL(V3000)                      : mpost -s ahlength=6     FILENAME
+% Set to use plain.mp (label,arrow)          : mpost -s labeloffset=1  FILENAME
+% Set to use plain.mp (label,arrow,atom)     : mpost -s labeloffset=2  FILENAME
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 tracingstats:=1;
-message " This is mcf2graph ver 4.3  2018.11";
+message " This is mcf2graph ver 4.35  2019.01";
 %-------------------------------------------------------------------------------------------------
 newinternal nA,nB,nC,nD,nE,nF,char_num,str_cnt,sub_usr,sub_int,tbl_cnt,sharp_char;
 numeric save_para[],comD[][],parD[][],cntD[],tbl_str_wd[],tbl_atom[],tbl_subst[][],tbl_atom_wt[],
@@ -59,13 +60,18 @@ if (known green)and(known ahlength):
   mp_log_name:=jobname&"-info.aux";
   prologues:=3;
   %-- default bboxmargin=2------------------------------------------------------------------
-  if     bboxmargin=0: def shipit = enddef;                  % No image file
-  elseif bboxmargin=1: proc_end:=1;                          % output first font only
+  if     bboxmargin=0: def shipit = enddef;                    % No image file
+  elseif bboxmargin=1: proc_end:=1;                            % output first font only
   fi
   %--default ahangle=45---------------------------------------------------------------------
-  if     ahangle=1: outputformat:="png"; hppp:=vppp:=0.1;    % png format
-  elseif ahangle=2: outputformat:="svg";                     % svg format
-  elseif ahangle=3: outputformat:="eps";                     % eps format(.eps)
+  if     ahangle=0:  outputformat:="eps";                      % eps format(.mps)
+  elseif ahangle=1:  outputformat:="png"; hppp:=vppp:=0.12;    % png format(600dpi)
+  elseif ahangle=2:  outputformat:="svg";                      % svg format
+  elseif ahangle=3:  outputformat:="eps";                      % eps format(.eps)
+  %
+  elseif ahangle=11: outputformat:="png"; hppp:=vppp:=0.24;    % png format(300dpi)
+  elseif ahangle=12: outputformat:="png"; hppp:=vppp:=0.10;    % png format(720dpi)
+  elseif ahangle=13: outputformat:="png"; hppp:=vppp:=0.06;    % png format(1200dpi)
   fi
   %--default ahlength=4---------------------------------------------------------------------
   if     ahlength=1: sw_aux_out:=1;          % output aux
@@ -153,9 +159,11 @@ enddef;
 vardef pic_c(expr i,s)= substring(i,i+1) of s enddef;
 %--------------------------------------------------------------------------------------------------
 def store_par(text t)=
-  nA:=0; for list=t: if save_para[incr nA]<>list: save_para[nA]:=list; fi endfor enddef;
-def restore_par(text t)=  nA:=0;
-  forsuffixes list=t: if list<>save_para[incr nA]: list:=save_para[nA]; fi endfor enddef;
+  nA:=0; for list=t: nA:=nA+1; if save_para[nA]<>list: save_para[nA]:=list; fi endfor
+enddef;
+def restore_par(text t)=
+  nA:=0; forsuffixes list=t: nA:=nA+1; if list<>save_para[nA]: list:=save_para[nA]; fi endfor
+enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 def beginfont(text s)=
   char_num:=char_num+1;
@@ -174,7 +182,7 @@ def beginfont(text s)=
   %------------------------------------------------------------------------------------------------
   for i:=1 upto max_inf_num: info[i]:=":"; endfor
   f_ext:=inf_num:=cntM:=0;
-  for list=s: info[incr inf_num]:=list; endfor
+  for list=s: inf_num:=inf_num+1; info[inf_num]:=list; endfor
 enddef;
 %==================================================================================================
 def endfont=
@@ -240,24 +248,36 @@ def set_def_MC=
   def **secondary n == (_postF,n) enddef;  def */*secondary n == (_postG,n) enddef;  
 enddef;
 %=================================================================================================
-vardef '(text s)= ''(incr sub_usr)(s); sub_usr enddef;
+vardef '(text TXT)= ''(incr sub_usr)(TXT); sub_usr enddef;
 %-------------------------------------------------------------------------------------------------
-def ''(expr k)(text TXT)=
+def ''(expr ADR)(text TXT)=
   begingroup
   if unknown inside_def_MC:: set_def_MC fi
-  cntD[k]:=0;
+  cntD[ADR]:=0;
   for list==TXT::
     if known list::
-      if pair list:: comD[k][incr cntD[k]]:=xpart(list); parD[k][cntD[k]]:=ypart(list);
+      if pair list::
+        cntD[ADR]:=cntD[ADR]+1;
+        comD[ADR][cntD[ADR]]:=xpart(list);
+        parD[ADR][cntD[ADR]]:=ypart(list);
       elseif numeric list::
         if list>=sub_emb_start::
           for i==1 upto cntD[list]::
-            comD[k][incr cntD[k]]:=comD[list][i]; parD[k][cntD[k]]:=parD[list][i];
+            cntD[ADR]:=cntD[ADR]+1;
+            comD[ADR][cntD[ADR]]:=comD[list][i];
+            parD[ADR][cntD[ADR]]:=parD[list][i];
           endfor 
-        else:: comD[k][incr cntD[k]]:=_mk_bond; parD[k][cntD[k]]:=list;
+        else::
+          cntD[ADR]:=cntD[ADR]+1;
+          comD[ADR][cntD[ADR]]:=_mk_bond;
+          parD[ADR][cntD[ADR]]:=list;
         fi
-      elseif string list:: strD[incr str_cnt]:=list;
-        comD[k][incr cntD[k]]:=_set_atom; parD[k][cntD[k]]:=str_cnt;
+      elseif string list::
+        str_cnt:=str_cnt+1;
+        strD[str_cnt]:=list;
+        cntD[ADR]:=cntD[ADR]+1;
+        comD[ADR][cntD[ADR]]:=_set_atom;
+        parD[ADR][cntD[ADR]]:=str_cnt;
         if pic_c(0,list)=="{":: tbl_str_wd[str_cnt]:=1.6; else:: tbl_str_wd[str_cnt]:=1; fi
       fi
     fi
@@ -270,9 +290,11 @@ vardef '''(text TXT)=
   cntD[sub_int]:=0;
   for list==TXT:: cntD[sub_int]:=cntD[sub_int]+1;
     if     numeric list::
-      comD[sub_int][cntD[sub_int]]:=_numeric;    parD[sub_int][cntD[sub_int]]:=list;
+      comD[sub_int][cntD[sub_int]]:=_numeric;
+      parD[sub_int][cntD[sub_int]]:=list;
     elseif pair list::
-      comD[sub_int][cntD[sub_int]]:=xpart(list); parD[sub_int][cntD[sub_int]]:=ypart(list);
+      comD[sub_int][cntD[sub_int]]:=xpart(list);
+      parD[sub_int][cntD[sub_int]]:=ypart(list);
     fi
   endfor
   sub_int    %------- Retern value -------
@@ -400,13 +422,13 @@ def ext(text TXT)=
   endgroup;
 enddef;
 %==================================================================================================
-def ext_puts(expr a)(expr STR)=
+def ext_puts(expr POS)(expr STR)=
   begingroup
-  save cp,sA,pC;
+  save cp,sA,pC,nB,nC;
   pair cp;
   string sA;
   picture pC;
-  cp:=a;
+  cp:=POS;
   nB:=defaultscale*defaultsize;
   nC:=0;
   %------------------------------------------------------------------------------------------------
@@ -435,6 +457,7 @@ def ext_puts(expr a)(expr STR)=
 enddef;
 %--------------------------------------------------------------------------------------------------
 vardef label_emu@#(expr STR,POS) = %% modified 'thelabel@#(expr s,z)' of plain.mp
+  begingroup
   save oft,fx,fy,wds,sC,pC;
   pair oft,oft.lft,oft.rt,oft.top,oft.bot,oft.ulft,oft.llft,oft.urt,oft.lrt;
   string sC;
@@ -461,6 +484,7 @@ vardef label_emu@#(expr STR,POS) = %% modified 'thelabel@#(expr s,z)' of plain.m
   oft.llft:=(-.7,-.7);   fx.llft:=1;   fy.llft:=1;
   oft.lrt:= ( .7,-.7);   fx.lrt:=0;    fy.lrt:=1;
   ext_puts(POS+(labeloffset*oft@#)-(wds*fx@#,defaultscale*defaultsize*fy@#))(STR);
+  endgroup
 enddef;
 %-------------------------------------------------------------------------------------------------
 vardef dotlabel_emu@#(expr STR,POS)=
@@ -514,11 +538,11 @@ def sub_ext(expr c)(expr a,b)=
   fi
 enddef;
 %=================================================================================================
-def MCa(expr FW,FH)(text s)= MCd(1,1)(FW,FH)(s) enddef;
-def MCc(expr RW,RH)(text s)= MCd(RW,RH)(0.5,0.5)(s) enddef;
-def MCf(text s)=             MCd(1,1)(0.5,0.5)(s) enddef;
+def MCa(expr FW,FH)(text TXT)= MCd(1,1)(FW,FH)(TXT) enddef;
+def MCc(expr RW,RH)(text TXT)= MCd(RW,RH)(0.5,0.5)(TXT) enddef;
+def MCf(text TXT)=             MCd(1,1)(0.5,0.5)(TXT) enddef;
 %-------------------------------------------------------------------------------------------------
-def MCd(expr RW,RH)(expr FW,FH)(text TX)=
+def MCd(expr RW,RH)(expr FW,FH)(text TXT)=
   begingroup
   save com,par,adrA,adrB,f_bra,envT,envB,lenT,lineT,strAT,stkA,stkB,stkL,stkM,cntP,bondL,temp_len,
        temp_cntB,f_end,f_term,rotT,adrS,f_at,f_lineT,f_rotT,f_lenT,f_envT,angT,tempB,tempA,
@@ -542,7 +566,7 @@ def MCd(expr RW,RH)(expr FW,FH)(text TX)=
   par_s:=ASCII("{"); par_e:=ASCII("}"); score_u:=ASCII("_"); hat:=ASCII("^");
   cntA:=cntB:=cntP:=cntC:=0; strD[0]:=""; str_cnt:=2000; crR:=-ratio_chain_ring;
   %===============================================================================================
-  ''(0)(TX,(_term,0));
+  ''(0)(TXT,(_term,0));
   proc_bond_atom(1);
   if (cntP>0)and(sw_subst_off=0): ps_get(1); fi
   char_use_check;
@@ -569,7 +593,8 @@ def MCd(expr RW,RH)(expr FW,FH)(text TX)=
   %-----------------------------------------------------------------------------------------------
   sftX:=margin_left_right-minX+(font_wd-mol_wd-2margin_left_right)*FW;
   sftY:=margin_top_bottom-minY+(font_ht-mol_ht-2margin_top_bottom)*FH;
-  posM[0][incr cntM]:=(sftX,sftY);
+  cntM:=cntM+1;
+  posM[0][cntM]:=(sftX,sftY);
   posM[1][cntM]:=(minX+sftX,minY+sftY);
   posM[2][cntM]:=(max_x+sftX,max_y+sftY);
   wdM[cntM]:=mol_wd;
@@ -587,7 +612,7 @@ enddef;
 %-------------------------------------------------------------------------------------------------
 def ps_put=
   if f_at=1: An:=getA(adrT); check_adrA(An); else: An:=cntA+1; fi
-  ps_adr[incr cntP]:=An; ps_com[cntP]:=par; op_cnt[cntP]:=0;
+   cntP:=cntP+1; ps_adr[cntP]:=An; ps_com[cntP]:=par; op_cnt[cntP]:=0;
   if lineT<>0:  PO(_tmp_line,lineT) fi
   if rotT<>0:   PO(_rot_ang,rotT) fi
   if lenT<>crR: PO(_chg_len,lenT) fi
@@ -601,8 +626,8 @@ def ps_put=
 enddef;
 %-------------------------------------------------------------------------------------------------
 def ps_get(expr n)=
-  save sub_int;
-  sub_int:=0; nA:=cntP; nB:=cntD[0];
+  sub_int:=0;
+  nA:=cntP; nB:=cntD[0];
   for i=n upto cntP:
     PA(_jp_atom_abs,ps_adr[i]) PA(_push,1)
     for j=1 upto op_cnt[i]: PA(op_com[i][j],op_par[i][j]) endfor
@@ -714,11 +739,11 @@ def proc_bond_atom(expr n)=
   for i=n upto cntD[0]:
   nC:=comD[0][i]; par:=parD[0][i];
   if     nC=_push: 
-    if     par=1: stkL[adrS]:=bondL; stkA[incr adrS]:=adrA:=cntA; stkB[adrS]:=adrB:=cntB;
+    if     par=1: stkL[adrS]:=bondL; adrS:=adrS+1; stkA[adrS]:=adrA:=cntA; stkB[adrS]:=adrB:=cntB;
     elseif par=0: temp_len:=bondL;
     elseif par=2: stkA[adrS+1]:=cntA; stkB[adrS+1]:=cntB;
     fi
-  ef nC=_pop: if     par=1: adrA:=stkA[decr adrS]; adrB:=stkB[adrS]; bondL:=stkL[adrS];
+  ef nC=_pop: if      par=1: adrS:=adrS-1; adrA:=stkA[adrS]; adrB:=stkB[adrS]; bondL:=stkL[adrS];
                    ef par=0: bondL:=temp_len;
                    ef par=2: stkA[adrS+1]:=0;
                    fi
@@ -772,7 +797,8 @@ def proc_bond_atom(expr n)=
 enddef;
 %-------------------------------------------------------------------------------------------------
 def add_atom=
-  lineB[incr cntB]:=lineT;
+  cntB:=cntB+1;
+  lineB[cntB]:=lineT;
   lineT:=si;
   if lenT=crR: lenB[cntB]:=bondL; else: lenB[cntB]:=lenT; lenT:=crR; fi
   if f_bra=0:  cntA:=cntA+1; sB[cntB]:=cntA; numS[cntA]:=strAT;
@@ -800,7 +826,7 @@ def proc_skeleton=
                 ef par=0: temp_len:=bondL;
                 ef par=2: stkA[adrS+1]:=cntA; stkB[adrS+1]:=cntB;
                 fi
-  ef nC=_pop:     if par=1: adrA:=stkA[decr adrS]; adrB:=stkB[adrS]; envB:=stkM[adrS];
+  ef nC=_pop:     if par=1: adrS:=adrS-1; adrA:=stkA[adrS]; adrB:=stkB[adrS]; envB:=stkM[adrS];
                        ef par=0: temp_len:=bondL;
                        ef par=2: stkA[adrS+1]:=0;
                        fi
@@ -827,8 +853,8 @@ def proc_skeleton=
   endfor
 enddef;
 %-------------------------------------------------------------------------------------------------
-def add_bond(expr m)=
-  if m=_arg_ang: nA:=proc_env(angT,envB,60,-60); else: nA:=m; fi
+def add_bond(expr ROT)=
+  if ROT=_arg_ang: nA:=proc_env(angT,envB,60,-60); else: nA:=ROT; fi
   if f_bra=0:
     adrT:=cntA:=cntA+1; posA[cntA]:=posBs; angA[cntA]:=angT;
     if nA>=0: ang_br[cntA]:=angT+nA/2-90; else: ang_br[cntA]:=angT+nA/2+90; fi
@@ -848,12 +874,12 @@ def add_bond(expr m)=
   cntB:=cntB+1; posBs:=posBe;
 enddef;
 %==================================================================================================
-vardef getA(expr n)=
- if n>=0: stkA[adrS+1]+n ef n>=-999: cntA+n+1 else: stkA[adrS]+n+4095 fi
+vardef getA(expr ADR)=
+ if ADR>=0: stkA[adrS+1]+ADR ef ADR>=-999: cntA+ADR+1 else: stkA[adrS]+ADR+4095 fi
 enddef;
 %--------------------------------------------------------------------------------------------------
-vardef getB(expr n)=
- if n>=1: stkB[adrS+1]+n ef n=0: tempB ef n>=-999: cntB+n+1 else: stkB[adrS]+n+4095 fi
+vardef getB(expr ADR)=
+ if ADR>=1: stkB[adrS+1]+ADR ef ADR=0: tempB ef ADR>=-999: cntB+ADR+1 else: stkB[adrS]+ADR+4095 fi
 enddef;
 %--------------------------------------------------------------------------------------------------
 def termA=
@@ -875,22 +901,33 @@ def termB=
   fi
 enddef;
 %--------------------------------------------------------------------------------------------------
-def proc_cyc(expr n)= add_bond(angle(posA[n]-posBs)-angT);  enddef;
+def proc_cyc(expr ADR)= add_bond(angle(posA[ADR]-posBs)-angT);  enddef;
 %--------------------------------------------------------------------------------------------------
-def glu_c(expr n)= if numS[n]<>0: nB:=angT mod 90; nC:=.5tbl_str_wd[numS[n]]*atom_wd;
-                   if nB<45: glu:=glu+((sind(nB)*nC)++nC);
-                   else:     glu:=glu+((cosd(nB)*.5atom_wd)++.5atom_wd) fi fi  enddef;
+def glu_c(expr NUM)=
+  if numS[NUM]<>0:
+    nB:=angT mod 90;
+    nC:=0.5tbl_str_wd[numS[NUM]]*atom_wd;
+    if nB<45: glu:=glu+((sind(nB)*nC)++nC);
+    else:     glu:=glu+((cosd(nB)*.5atom_wd)++.5atom_wd);
+    fi
+  fi
+enddef;
 %--------------------------------------------------------------------------------------------------
-vardef proc_env(expr n,m,a,b)=  r:=(n mod 360);
-  if m>=sub_emb_start: parD[m][cntB-temp_cntB] else:
-    if     m=hz:if r=0:a ef r<=90:b ef r<=180:a ef r<270:b  else:a fi
-    ef m=vt:if r=0:b ef r<90:a  ef r<=180:b ef r<=271:a else:b fi
-    ef (m>=-180)and(m<=180): m fi fi
+vardef proc_env(expr ANG,ENV,CCW,CWS)=
+  nA:=(ANG mod 360);
+  if ENV>=sub_emb_start:
+    parD[ENV][cntB-temp_cntB]
+  else:
+    if ENV=hz: if nA=0:CCW ef nA<=90:CWS ef nA<=180:CCW ef nA<270:CWS  else:CCW fi
+    ef ENV=vt: if nA=0:CWS ef nA<90:CCW  ef nA<=180:CWS ef nA<=271:CCW else:CWS fi
+    ef (ENV>=-180)and(ENV<=180): ENV
+    fi
+  fi
 enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 def draw_atom(expr NUM,POS,ANG,STR,WD)=
   begingroup
-  save pA,pT,dx,pC,nE,nC;
+  save pA,pT,pC,sB,dx,nB,nC,nE;
   string sB;
   pair pA,pT;
   picture pC;
@@ -937,7 +974,7 @@ enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 def draw_bond(expr NN,BP,EP,ANG,LN)=
   begingroup
-  save ww,ap,am,hpt,Ls,Le,pA,pB,pC,pT,nL,nC;
+  save ww,ap,am,hpt,Ls,Le,pA,pB,pC,pT,nB,nC,nL;
   pair Ls,Le;
   path pA,pB,pC,pT;
   %----------------------------------------------------------------------------------------------
@@ -1058,7 +1095,7 @@ NHiPr:=NHMe!:='(NH,!,iPr); NHtBu:='(NH,!,tBu); NHMe:=NH!:='(NH,!); NHEt:=NH!2:='
 !?3:='(!,?3); !?4:='(!,?4); !?5:='(!,?5); !?6:='(!,?6); CF2:='(/F,60,F); CCl2:='(/Cl,60,Cl);
 CBr2:='(/Br,60,Br); CF3:='(/F,/F^60,60,F); CCl3:='(/Cl,/Cl^60,60,Cl); CBr3:='(/Br,/Br^60,60,Br);
 %==================================================================================================
-nA:=0; for list=parameter_list: save_para[incr nA]:=list; endfor
+nA:=0; for list=parameter_list: nA:=nA+1; save_para[nA]:=list; endfor
 %--------------------------------------------------------------------------------------------------
 %%%%%%message "count of sub_usr =" & decimal(sub_usr);
 %--------------------------------------------------------------------------------------------------
@@ -1068,24 +1105,27 @@ def expand_set=
   !NH2:='(!,NH2); !CHO:='(!,CHO); !COOH:='(!,COOH); !CN:='(!,CN); !SH:='(!,SH); !NO2:='(!,NO2);
 enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-def char_size_set(expr a)(expr b)(expr s)=
-  for j=0 upto length(s)-1: nA:=ASCII(pic_c(j,s));
-    tbl_char_wd[nA]:=a; tbl_char_ht[nA]:=b;
+def char_size_set(expr WD)(expr HT)(expr STR)=
+  for j=0 upto length(STR)-1:
+    nA:=ASCII(pic_c(j,STR));
+    tbl_char_wd[nA]:=WD;
+    tbl_char_ht[nA]:=HT;
   endfor
 enddef;
-%---------------------------------------------------------------
-char_size_set( 1)( 1)("CGHMNOQ");
-char_size_set(.9)( 1)("ABDEFIJKLPRSTUVWXYZ/><m");
-char_size_set(.7)( 1)(" ()[]0123456789nhj=_tfgpq");
-char_size_set(.7)(.7)("-+*");
+%-------------------------------------------------------------------------------------------------
+char_size_set(  1)(  1)("CGHMNOQ");
+char_size_set( .9)(  1)("ABDEFIJKLPRSTUVWXYZ/><m");
+char_size_set( .7)(  1)(" ()[]0123456789nhj=_tfgpq");
+char_size_set( .7)( .7)("-+*");
 char_size_set(.45)(.95)("l");
-char_size_set(.75)(.8)("o");
-char_size_set(.8)(.8)("e");
-char_size_set(.7)(.8)("abdcksuvxzwry");
-char_size_set(.35)(.9)("i");
-char_size_set(.4)( 1)(".,:;'`^");
+char_size_set(.75)( .8)("o");
+char_size_set( .8)( .8)("e");
+char_size_set( .7)( .8)("abdcksuvxzwry");
+char_size_set(.35)( .9)("i");
+char_size_set( .4)(  1)(".,:;'`^");
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 def draw_char(expr CHR,POS,WD,PEN,NUM)=
+begingroup
 save Z,aW,aH,fW,fH,hW,hW,hH,fP,hP,pathO,pathOh,pos,dw,dwh,dwv,cdw,ppcs,sbp,sC;
 path pathO,pathOh;
 string sC;
@@ -1199,6 +1239,7 @@ ef sC="+": dwv Z19--Z14; dwh Z09--Z10;
 ef sC="*": dw Z19--Z14; dw Z09--Z10; dw (.2aW,.2aH)--(.8aW,.8aH); dw (.2aW,.8aH)--(.8aW,.2aH);
 else:
 fi
+endgroup
 enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 def blank_str:= "            " enddef;
@@ -1215,21 +1256,27 @@ def bond_check(expr a)(text s)=
   fi
 enddef;
 %--------------------------------------------------------------------------------------------------
-vardef stripP(expr a)=
- if     length(a)=4: substring (1,3) of a
- elseif length(a)=6: substring (1,2) of a
- else: a
+vardef stripP(expr ATOM)=
+ if     length(ATOM)=4: substring (1,3) of ATOM
+ elseif length(ATOM)=6: substring (1,2) of ATOM
+ else: ATOM
  fi
 enddef;
 %==================================================================================================
-def STa(expr a,b,c)=
-  tbl_atom_str[incr tbl_cnt]:=a; tbl_atom[tbl_cnt]:=0;
-  tbl_atom_wt[tbl_cnt]:=b; tbl_atom_mi[tbl_cnt]:=c;
+def STa(expr ATOM,WT,MI)=
+  tbl_cnt:=tbl_cnt+1;
+  tbl_atom_str[tbl_cnt]:=ATOM;
+  tbl_atom[tbl_cnt]:=0;
+  tbl_atom_wt[tbl_cnt]:=WT;
+  tbl_atom_mi[tbl_cnt]:=MI;
 enddef;
 %----------------------------------------------------------------------------------
-def STb(expr a)(text s)=
-  tbl_atom_str[incr tbl_cnt]:=a; tbl_atom[tbl_cnt]:=0;
-  for list=s: tbl_atom[tbl_cnt]:=tbl_atom[tbl_cnt]+1;
+def STb(expr ATOM)(text TXT)=
+  tbl_cnt:=tbl_cnt+1;
+  tbl_atom_str[tbl_cnt]:=ATOM;
+  tbl_atom[tbl_cnt]:=0;
+  for list=TXT:
+    tbl_atom[tbl_cnt]:=tbl_atom[tbl_cnt]+1;
     for j=1 upto tbl_cnt:
       if list=tbl_atom_str[j]: tbl_subst[tbl_cnt][tbl_atom[tbl_cnt]]:=j; fi
     endfor
@@ -1319,9 +1366,12 @@ def proc_calc_out=
   sumA[2]:=sumA[2]+cnt_hide_H;
   for i=1 upto tbl_cnt:
     if sumA[i]>=1:
-      nA:=tbl_atom_wt[i]/100*sumA[i]; MWp:=MWp+nA;
-      if (MWp<40)and(nA<40): MW_num:= MW_num+tbl_atom_wt[i]*sumA[i];
-                             MI_num:= MI_num+tbl_atom_mi[i]*sumA[i]; fi
+      nA:=tbl_atom_wt[i]/100*sumA[i];
+      MWp:=MWp+nA;
+      if (MWp<40)and(nA<40):
+        MW_num:= MW_num+tbl_atom_wt[i]*sumA[i];
+        MI_num:= MI_num+tbl_atom_mi[i]*sumA[i];
+      fi
       cal_FM:=cal_FM&stripP(tbl_atom_str[i]) if sumA[i]>=2: &decimal(sumA[i]) fi;
     fi
   endfor
@@ -1410,6 +1460,7 @@ def proc_report_out=
 enddef;
 %==================================================================================================
 def proc_mol_out=
+  begingroup
   save chg_cnt,chg_atm,chg_chg;
   numeric chg_atm,chg_chg;
   chg_cnt:=0;
@@ -1463,6 +1514,7 @@ def proc_mol_out=
   printf "M  V30 END CTAB";
   printf "M  END";
   fi
+  endgroup
 enddef;
 %-------------------------------------------------------------------------------------------------
 vardef fit_zero(expr n)=if n<=9: "00" elseif n<=99: "0" fi enddef;