mcf2graph (13aug17)

git-svn-id: svn://tug.org/texlive/trunk@45032 c570f23f-e606-0410-a88d-b1316a301751

1 files changed, 61 insertions, 28 deletions

diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
index 48c2b301b3a..eee9dfa0525 100644
--- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
+++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
@@ -1,5 +1,5 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 4.25     Copyright (c) 2013-2017   Akira Yamaji
+% mcf2graph ver 4.26     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,
@@ -31,7 +31,7 @@
 % Set to use plain.mp label,arrow : mpost -s ahlength=3 FILENAME
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 tracingstats:=1;
-message " This is mcf2graph ver 4.2  2017.7";
+message " This is mcf2graph ver 4.2  2017.8";
 %-------------------------------------------------------------------------------------------------
 newinternal nA,nB,nC,nD,nE,nF,char_num,str_cnt,sub_usr,sub_int,tbl_cnt;
 numeric save_para[],comD[][],parD[][],cntD[],tbl_str_wd[],tbl_atom[],tbl_subst[][],tbl_atom_wt[],
@@ -41,7 +41,7 @@ string  tbl_atom_str[],strD[],var[],tag[],mp_log_name,aux_delimiter,atomfont,
 picture mol_stru[];
 path    arrow_path,arrow_head;
 %-------------------------------------------------------------------------------------------------
-char_num:=str_cnt:=proc_end:=0;
+char_num:=str_cnt:=proc_end:=sw_label_emu:=0;
 sw_numberA:=sw_numberB:=sw_mol_frame:=sw_auxout:=sw_solid:=sw_expand:=sw_font_frame:=sw_clip:=0;
 sw_atom_frame:=sw_report:=sw_MOLout:=sw_subst_off:=sw_bond_single:=sw_auxfix:=sw_arrow:=0;
 numberA_start:=numberB_start:=1; numberA_end:=numberB_end:=4095; aux_max:=max_inf_num:=20;
@@ -122,7 +122,7 @@ def_com(1)(si,dl,dr,db,dm,tm,wf,wb,bd,bz,zf,zb,dt,wv,nl,vf,vb,si_,wf_,wb_,bd_);
 %--------------------------------------------------------------------------------------------------
 def parameter_list=
   sw_report,sw_numberA,sw_numberB,sw_mol_frame,sw_auxout,sw_solid,sw_expand,sw_MOLout,
-  sw_atom_frame,sw_font_frame,sw_subst_off,sw_bond_single,sw_clip,sw_arrow,
+  sw_atom_frame,sw_font_frame,sw_subst_off,sw_bond_single,sw_clip,sw_arrow,sw_label_emu,
   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,
@@ -146,10 +146,13 @@ def beginfont(text s)=
   save_defaultfont:=defaultfont;
   begingroup
   save cntA,cntB,cntM,minX,minY,f_beginchar,numS,sftX,sftY,f_ext,
+       cal_FM,cal_MW,cal_MW_str,cal_MI,cal_MI_str,
+       inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_MW,
        posBs,posBe,posA,posM,lineB,sB,eB,angB,angA,lenB,ang_br,info,pT;
   numeric lineB[],sB[],eB[],angB[],angA[],lenB[],ang_br[],numS[];
   pair posA[],posM[][],pT,posBs,posBe;
-  string info[];
+  string info[],cal_FM,cal_MW,cal_MW_str,cal_MI,cal_MI_str,
+         inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_MW;
   %------------------------------------------------------------------------------------------------
   for i:=1 upto max_inf_num: info[i]:=":"; endfor
   f_ext:=inf_num:=cntM:=0;
@@ -179,7 +182,6 @@ def endfont=
     pT:=(margin_left_right,margin_top_bottom);
     draw_frame(pT,nA,nB,thickness_font_frame);  fi
   if sw_font_frame=4: draw_corner(w,h,thickness_font_frame); fi
-  if ((sw_auxout=1)or(sw_report=1)or(sw_MOLout=1))and(f_MP=1): proc_calc_out; fi
   for i=1 upto cntM:
     addto currentpicture also mol_stru[i] shifted posM[0][i]; mol_stru[i]:=nullpicture;
   endfor
@@ -330,7 +332,7 @@ def ext_setup=
   dotlabeldiam:=3bp;
   labeloffset:=3bp;
   em=defaultscale*defaultsize;
-  if (defaultfont="draw")or(f_MP=0):
+  if (defaultfont="draw")or(f_MP=0)or(sw_label_emu=1):
     save label,dotlabel;
     def label = label_emu enddef;
     def dotlabel = dotlabel_emu enddef;
@@ -375,27 +377,47 @@ enddef;
 %==================================================================================================
 def ext_puts(expr PA)(expr STR)=
   begingroup
-  save cp,sA;
+  save cp,sA,pC;
   pair cp;
   string sA;
+  picture pC;
   cp:=PA;
+  nB:=defaultscale*defaultsize;
+  nC:=0;
   %------------------------------------------------------------------------------------------------
   for i=0 upto length(STR)-1:
     sA:=pic_c(i,STR);
     nA:=ASCII(sA);
-    nB:=defaultscale*defaultsize;
-    draw_char(sA,cp,nB,0.35*ratio_char_bond*bp,0);
-    cp:=cp+(nB*tbl_char_wd[nA],0);
+    if sw_label_emu=1:
+      if     sA="_": if nC=-0.5: nC:=0; else: nC:=-0.5; fi
+      elseif sA="^": if nC= 0.5: nC:=0; else: nC:= 0.5;  fi
+      else:
+        if defaultfont="draw":
+          draw_char(sA,cp+(0,nB*nC),nB,0.35*ratio_char_bond*bp,0);
+          cp:=cp+(nB*tbl_char_wd[nA],0);
+        else:
+          pC:=sA infont defaultfont scaled defaultscale;
+          addto currentpicture also pC shifted (cp+(0,nB*nC));
+          cp:=cp+(lrcorner pC-llcorner pC);
+        fi
+      fi
+    else:   draw_char(sA,cp,nB,0.35*ratio_char_bond*bp,0);
+            cp:=cp+(nB*tbl_char_wd[nA],0);
+    fi
   endfor
   endgroup;
 enddef;
 %--------------------------------------------------------------------------------------------------
 vardef label_emu@#(expr STR,POS) = %% modified 'thelabel@#(expr s,z)' of plain.mp
-  save oft,fx,fy,wds;
+  save oft,fx,fy,wds,sC;
   pair oft,oft.lft,oft.rt,oft.top,oft.bot,oft.ulft,oft.llft,oft.urt,oft.lrt;
+  string sC;
   wds:=0;
   for i=0 upto length(STR)-1:
-    wds:=wds+defaultscale*defaultsize*tbl_char_wd[ASCII(pic_c(i,STR))];
+    sC:=pic_c(i,STR);
+    if not((sw_label_emu=1)and((sC="_")or(sC="^"))):
+      wds:=wds+defaultscale*defaultsize*tbl_char_wd[ASCII(sC)];
+    fi
   endfor
   oft:=     (  0,  0);   fx:=0.5;      fy:=0.5;
   oft.lft:= ( -1,  0);   fx.lft:=1;    fy.lft:=0.5;
@@ -529,6 +551,7 @@ def MCd(expr RW,RH)(expr FW,FH)(text TX)=
   addto mol_stru[cntM] also currentpicture;
   clearit;
   endgroup;
+  if ((sw_auxout=1)or(sw_report=1)or(sw_MOLout=1))and(f_MP=1): proc_calc_out; fi
   %-----------------------------------------------------------------------------------------------
 %%%%  message "count of usr ="& decimal(sub_usr) &" "& decimal(sub_usr-sub_usr_start);
 %%%%  message "count of int ="& decimal(sub_int) &" "& decimal(sub_int-sub_int_start);
@@ -769,9 +792,10 @@ enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 def draw_atom(expr NUM,POS,ANG,STR,WD)=
   begingroup
-  save pA,pT,dx;
+  save pA,pT,dx,pC,nE,nC;
   string sB;
   pair pA,pT;
+  picture pC;
   %----------------------------------------------------------------------------------------------
   if ((ANG mod 360)<=90+1)or((ANG mod 360)>=270-1): dx:=1; else: dx:=-1; fi
   pT:=POS-(0.5atom_wd*dx*WD,0.5atom_wd);
@@ -785,19 +809,30 @@ def draw_atom(expr NUM,POS,ANG,STR,WD)=
     elseif nB=hat:     if nE=0: nE:= .5; else: nE:=0; fi;
     elseif (nB<>par_s)and(nB<>par_e):
       nA:=atom_wd*tbl_char_wd[nB];
-      pA:=pT+(0.5*((dx-1)*nA),nE*atom_wd);
-      if sw_atom_frame=1: draw_frame(pA,nA,atom_wd,0.1pt); fi
-      if (sw_numberA>=1)or(sw_numberB>=1):
-        erase fill unitsquare xscaled nA yscaled atom_wd shifted pA wpcs 0.01pt;
-      fi
       if (atomfont<>"draw")and(f_MP=1):
-        addto currentpicture also char(nB) infont atomfont
-          scaled (atom_wd/atomfontsize) shifted pA Cp(colorA[NUM]);
+        pC:=sB infont atomfont scaled (atom_wd/atomfontsize);
+        if dx=-1: pA:=pT-(lrcorner pC-llcorner pC)+(0,nE*atom_wd);
+        else:     pA:=pT+(0,nE*atom_wd);
+        fi
+        if (sw_numberA>=1)or(sw_numberB>=1):
+          erase fill (llcorner pC--lrcorner pC--urcorner pC--ulcorner pC--cycle) shifted pA;
+        fi
+        addto currentpicture also pC shifted pA Cp(colorA[NUM]);
+        if sw_atom_frame=1:
+          draw ((llcorner pC--lrcorner pC--urcorner pC--ulcorner pC--cycle) shifted pA)
+               withpen pencircle scaled 0.01pt;
+        fi
+        pT:=pT+(lrcorner pC-llcorner pC)*dx;
       else:
+        if dx=-1: pA:=pT+(-nA,nE*atom_wd); else: pA:=pT+(0,nE*atom_wd); fi
+        if (sw_numberA>=1)or(sw_numberB>=1):
+          erase fill unitsquare xscaled nA yscaled atom_wd shifted pA;
+        fi
         draw_char(sB,pA,atom_wd,bond_pen_wd*ratio_char_bond,NUM);
+        if sw_atom_frame=1: draw_frame(pA,nA,atom_wd,0.1pt); fi
+        pT:=pT+(nA*dx,0);
       fi
-      pT:=pT+(nA*dx,0);
-    fi
+   fi
   endfor
   endgroup
 enddef;
@@ -944,7 +979,7 @@ char_size_set(.7)( 1)(" ()[]0123456789nhj=_bdtfgpq");
 char_size_set(.7)(.7)("*");
 char_size_set(.5)( 1)("il");
 char_size_set(.7)(.8)("acekosuvxzwry");
-char_size_set(.4)( 1)(".,:;'`");
+char_size_set(.4)( 1)(".,:;'`^");
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 def draw_char(expr c,POS,WD,PEN,NUM)=
 save Z,aW,aH,fW,fH,hW,hW,hH,fP,hP,pathO,pathOh,ef,pos,ppcs,sbp,dw,dwh,dwv,cdw;
@@ -1115,11 +1150,9 @@ STb("C{H_3_}")("C","H","H","H"); STb("C{F_3_}")("C","F","F","F");
 %==================================================================================================
 def proc_calc_out=
   begingroup
-  save warning_cnt,cal_MW,MWp,knownA,cal_FM,bondC,tmp_wtp,bond_cnt,cnt_hide_H,
-       inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_MW;
+  save warning_cnt,MWp,knownA,bondC,tmp_wtp,bond_cnt,cnt_hide_H;
   numeric sumA[],bondC[],hideH[];
-  string cal_FM,cal_MW,cal_MW_str,cal_MI,cal_MI_str,sumA,s_tag,s_var,
-         inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_MW;
+  string sumA,s_tag,s_var;
   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;
   %------------------------------------------------------------------------------------------