mcf2graph (13mar22)

git-svn-id: svn://tug.org/texlive/trunk@62678 c570f23f-e606-0410-a88d-b1316a301751

14 files changed, 350 insertions, 191 deletions

diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
index a6625b3c3e8..ac547444939 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
@@ -1,6 +1,16 @@
 *******************************************************************************
- Changelog of mcf2graph software package          by Akira Yamaji 2022-02-27
+ Changelog of mcf2graph software package          by Akira Yamaji 2022-03-13
 *******************************************************************************
+[ver. 4.82  / 2022-03-13]
+  -add new example file
+   mcf_exa_code.tex (example include code)
+   mcf_exa_code.pdf
+  -change file name
+   mf_data_base.mcf => mcf_library.mcf
+  -update mcf2graph.mp
+  -update mcf_library.mcf
+  -update MCF example
+
 [ver. 4.81  / 2022-02-27]
   -update mcf2graph.mp
   -update MCF manual
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README
index b3fe39068e1..bac51eca958 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/README
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/README
@@ -1,7 +1,7 @@
 ********************************************************************************
  mcf2graph  : Convert Molecular Coding Format to graphics with MetaPost
  Author     : Akira Yamaji
- version    : 4.81 2022-02-27
+ version    : 4.82 2022-03-13
  E-mail     : mcf2graph@gmail.com
  Located at : http://www.ctan.org/pkg/mcf2graph
 ********************************************************************************
@@ -18,17 +18,19 @@
  ( 1) README              This file
  ( 2) CHANGELOG           Changelog file of mcf2graph
  ( 3) mcf2graph.mp        Main macro of Metapost
- ( 4) mcf_data_base.mcf   Molecular data base file
- ( 5) mcf_exa_soc.mp      MCF souce file example
+ ( 4) mcf_library.mcf     Molecular data library
+ ( 5) mcf_exa_soc.mp      Molecular difinition file example
  ( 6) mcf_manual.tex      MCF syntax manual(LaTeX file)
                             make files 'mcf_man_soc-***.mps' before typeset
                               >mpost mcf_man_soc.mf
  ( 7) mcf_man_soc.mp      Molecular definition file for mcf_manual.tex
  ( 8) mcf_manual.pdf      PDF of (6) (typeset with pdftex(LaTeX),makeindex)
  ( 9) mcf_example.tex     MCF example
- (10) mcf_example.pdf     PDF of (9) typeset with LuaTeX(LuaLaTeX)
- (11) mcf_mplib_exa.tex   luamplib(LuaLaTeX) example
- (12) mcf_mplib_exa.pdf   PDF of (11) typeset with LuaTeX(LuaLaTeX)
+ (10) mcf_example.pdf     PDF of (9) typeset with LuaLaTeX
+ (11) mcf_exa_code.tex    MCF example include code
+ (12) mcf_exa_code.pdf    PDF of (11) typeset with LuaLaTeX 
+ (13) mcf_mplib_exa.tex   luamplib(LuaLaTeX) example
+ (14) mcf_mplib_exa.pdf   PDF of (13) typeset with LuaLaTeX
 
 3. How to use mcf2graph with MetaPost
  Minimum requirement to use mcf2graph : mpost.exe,mpost.dll,mpost.mp,plain.mp
@@ -40,13 +42,13 @@
  ( 6) >mpost -s ahlength=1    FILENAME  => output information-aux file(for tex)
  ( 7) >mpost -s ahlength=2    FILENAME  => output information-aux file
                                                   (for spread sheet)
- ( 8) >mpost -s ahlength=3    FILENAME  => output data-base-aux file
+ ( 8) >mpost -s ahlength=3    FILENAME  => output library-aux file
  ( 9) >mpost -s ahlength=5    FILENAME  => output mol file(V2000)
  (10) >mpost -s ahlength=6    FILENAME  => output mol file(V3000)
  (11) >mpost -s ahlength=7    FILENAME  => output report file
 
 4. License
- mcf2graph ver 4.81    Copyright (c) 2013-2022   Akira Yamaji
+ mcf2graph ver 4.82    Copyright (c) 2013-2022   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
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp b/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp
index a34c4a9054f..6bf22925102 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp
@@ -1,5 +1,5 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 4.81    Copyright (c) 2013-2022   Akira Yamaji
+% mcf2graph ver 4.82    Copyright (c) 2013-2022   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,
@@ -28,17 +28,17 @@
 % Set outputformat to "eps" (.eps)                      : mpost -s ahangle=3      FILENAME
 % Set output information aux file (for TeX)             : mpost -s ahlength=1     FILENAME
 % Set output information aux file (for spread sheet)    : mpost -s ahlength=2     FILENAME
-% Set output aux data-base file                         : mpost -s ahlength=3     FILENAME
+% Set output aux library file                           : mpost -s ahlength=3     FILENAME
 % Set output MOL file (V2000)                           : mpost -s ahlength=5     FILENAME
 % Set output MOL file (V3000)                           : mpost -s ahlength=6     FILENAME
 % Set output report                                     : mpost -s ahlength=7     FILENAME
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-message "* This is mcf2graph ver 4.81  2022.02.27";
+message "* This is mcf2graph ver 4.82  2022.03.13";
 tracingstats:=1; prologues:=3; warningcheck:=0;
 %-------------------------------------------------------------------------------------------------
 numeric save_num[],parts_com[][],parts_par[][],parts_cnt[],tbl_atom[],tbl_group[][],tbl_atom_wt[],
         tbl_atom_mi[],tbl_char_wd[],tbl_char_ht[];
-string  save_str[],tbl_atom_str[],str_tbl[],tag[],aux_delimiter,default_data_file,
+string  save_str[],tbl_atom_str[],str_tbl[],tag[],aux_delimiter,default_library,
         default_temp_file,mpfont,atomfont,tempc,temps,blanks;
 pair    save_pair[],msize,mposition,fsize,fmargin,dum,save_mposition;
 %-------------------------------------------------------------------------------------------------
@@ -79,7 +79,7 @@ vardef fdl(expr n)(expr s)= fsl(n)(decimal(s)) enddef;
 def printf expr s= write s to file_output enddef;
 def warning(expr s)= message "% "&decimal(fig_num)&fdr(3)(incr warning_cnt)&")"&s; enddef;
 %=================================================================================================
-default_data_file:="mcf_data_base.mcf"; default_temp_file:="temp.mcf";
+default_library:="mcf_library.mcf"; default_temp_file:="temp.mcf";
 mpfont:="uhvr8r"; atomfont:="draw"; defaultfont:=mpfont;
 %--default ahangle=45---------------------------------------------------------------------
 if ahangle=0:  outputformat:="eps";                     % eps format(.mps)
@@ -92,7 +92,7 @@ fi
 %--default ahlength=4---------------------------------------------------------------------
 if ahlength=1:  sw_output:=Info;                        % output aux file
 ef ahlength=2:  sw_output:=Info+Table;                  % output aux file(Table mode)
-ef ahlength=3:  sw_output:=Info+Mcode;                  % output aux data-base
+ef ahlength=3:  sw_output:=Info+Mcode;                  % output aux library
 ef ahlength=4:  sw_output:=Fig;                         % *default
 ef ahlength=5:  sw_output:=MOL2k;                       % output MOL(V2000)
 ef ahlength=6:  sw_output:=MOL3k;                       % output MOL(V3000)
@@ -112,8 +112,8 @@ if sw_output>=Info:
   if (ahlength=1)or(ahlength=2):
                  message "* output information file"; message "* file name="&jobname&"-info.aux";
                  message "* info delimiter="&aux_delimiter;
-  ef ahlength=3: message "* output data-base file"; 
-                 message "* data-base file name="&jobname&"-data.aux";
+  ef ahlength=3: message "* output library file"; 
+                 message "* library file name="&jobname&"-lib.aux";
   ef ahlength=5: message "* output MOL file(V2000)"; message "* "&jobname&"-nnn-"&"inf_EN"&".mol";
   ef ahlength=6: message "* output MOL file(V3000)"; message "* "&jobname&"-nnn-"&"inf_EN"&".mol";
   ef ahlength=7: message "* output report file"; message "* file name="&jobname&"-report.txt"; fi
@@ -134,7 +134,7 @@ max_blength:=10mm; blength:=mangle:=0; max_labelsize:=20mm; dottedline_gap:=1.5;
 fsize:=(30mm,20mm); fmargin:=(0.4mm,0.4mm); msize:=(1,1); mposition:=(0.5,0.5);
 %=== bboxmargin:=0; % 2bp => 0 ====================================================================
 ahangle:=45; ahlength:=4; defaultsize:=8; defaultscale:=1; labeloffset:=3; ext_defaultline:=0.5;
-lonepairdiam:=lonepairspace:=circlediam:=circlepen:=bboxmargin:=0;
+lonepairdiam:=lonepairspace:=circlediam:=circlepen:=bboxmargin:=0; mc_length:=100;
 %==================================================================================================
 parts_emb_start:=1000;     % 1001 => 2000   for embedded parts (max 1900)
 parts_emi_start:=1900;     % 1901 => 2000   for embedded internal parts (max 100)
@@ -190,10 +190,10 @@ def beginfigm(text s)=
        warning_cnt,hideH_cnt,filter_s,mc_indent,cntM,cntA,cntB,minX,minY,maxX,maxY,posA,posM,
        hideH,lineB,sB,eB,angB,angA,lenB,angX,numS,sumA,bond_num,wdM,htM,chargeA,addA,add_rot,
        file_input,file_output,cal_FM,cal_MW,cal_MI,inf_Cat,inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,
-       inf_USE,inf_EXA,inf_EXB,inf_MW,mol_pic,sC,sI,sS,sT,sV,color_list,
-       unit_cnt,f_end,semic_cnt,f_match,var_n,tag_a,var_a,at_semic;
+       inf_USE,inf_EXA,inf_EXB,inf_MW,mol_pic,sC,sI,sS,sT,sV,color_list,unit_cnt,f_end,semic_cnt,
+       f_match,var_n,tag_a,var_a,at_semic,at_comma;
   numeric mc_indent[],hideH[],lineB[],sB[],eB[],angB[],angA[],lenB[],angX[],strA[],sumA[],
-          bond_num[],wdM[],htM[],chargeA[],addA[],add_rot[],at_semic[];
+          bond_num[],wdM[],htM[],chargeA[],addA[],add_rot[],at_semic[],at_comma[];
   pair posA[],posM[][];
   string info_s[],mc[],tag_a[],var_a[],mc,filter_s,file_input,file_output,cal_FM,cal_MW,cal_MI,
          inf_Cat,inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_MW,
@@ -205,7 +205,7 @@ def beginfigm(text s)=
   %------------------------------------------------------------------------------------------------
   inf_NO:=inf_EN:=inf_JN:=inf_MW:=inf_FM:=inf_CAS:=inf_Cat:=inf_EXA:=inf_EXB:="-";
   mc:=temps:=cal_MW:=cal_MI:=cal_FM:=filter_s:="";
-  file_input:=default_data_file;
+  file_input:=default_library;
   %------------------------------------------------------------------------------------------------
   parts_num:=parts_usr_start; parts_int:=parts_int_start;
   %------------------------------------------------------------------------------------------------
@@ -221,9 +221,9 @@ def beginfigm(text s)=
     ef at_colon>=1:
       info_cnt:=info_cnt+1; info_s[info_cnt]:=list;
       sT:=substring(0,at_colon-1) of list; sV:=substring(at_colon,length(list)) of list;
-      if sT="f":  if scan_char(".",sV,0,1)=0: file_input:=sV&".mcf"; else: file_input:=sV; fi
-      ef sT="t":  temps:=sV;
-      ef sT="v":  pickup_data_unit(temps,sV,1);
+      if sT="f": if scan_char(".",sV,0,1)=0: file_input:=sV&".mcf"; else: file_input:=sV; fi
+      ef sT="t": temps:=sV;
+      ef sT="v": pickup_data_unit(temps,sV,1);
       ef sT="v+": pickup_data_unit(temps,sV,0);
       else: if known scantokens("inf_"&sT): scantokens("inf_"&sT):=sV; fi fi fi
   endfor
@@ -298,14 +298,14 @@ def pickup_data_unit(expr t,v,f)=
   f_end:=unit_cnt:=semic_cnt:=f_match:=inf_num:=0;
   if t="n": var_n:=scantokens(v); fi
   forever:
-    sS:=readfrom file_input; if sS=EOF: f_EOF:=1; fi exitif sS=EOF;
+    sS:=readfrom file_input; if sS=EOF: f_EOF:=1; fi exitif f_EOF=1;
     if subc(1,sS)="%":
     ef (subc(1,sS)="+")and(subc(2,sS)<>"-"):
       unit_cnt:=unit_cnt+1; if v="*": f_match:=1; ef t="n": if unit_cnt=var_n: f_match:=1; fi fi
       if f_match=1:
         forever:
           sS:=readfrom file_input; 
-          if sS=EOF: f_EOF:=1; fi exitif sS=EOF; exitif subc(1,sS)="+";
+          if sS=EOF: f_EOF:=1; fi exitif f_EOF=1; exitif subc(1,sS)="+";
           if subc(1,sS)<>"%":
             fw_n:=scan_char(" ",sS,1,1); mc_row:=mc_row+1; mc_indent[mc_row]:=fw_n-1;
             mc[mc_row]:=substring(fw_n-1,length(sS)) of sS; mc:=mc&mc[mc_row]; fi
@@ -316,8 +316,8 @@ def pickup_data_unit(expr t,v,f)=
         f_end:=1;
       else:
         forever: 
-          sS:=readfrom file_input; if sS=EOF: f_EOF:=1; fi
-          exitif sS=EOF; exitif (substring(0,2) of sS)="+-";
+          sS:=readfrom file_input; if sS=EOF: f_EOF:=1; fi exitif f_EOF=1;
+          exitif (substring(0,2) of sS)="+-";
         endfor
       fi
     else:
@@ -1146,83 +1146,84 @@ def circ_Oh = (hP,qH)..Z_x..(fW,qH)..Z_y..cycle enddef;
 def circ_Oa = (hP,0.35aH)..Z_x..(fW,0.35aH)..(hW,.7aH)..cycle enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 def draw_char(expr s,p)=
-aW:=atom_wd*tbl_char_wd[ASCII(s)]*(1-2ratio_atomgap_atom);
-aH:=atom_wd*tbl_char_ht[ASCII(s)]*(1-2ratio_atomgap_atom);
-cpos:=p-(aW/2,atom_wd/2*(1-2ratio_atomgap_atom));
-fP:=bond_pen_wd*ratio_char_bond;
-hP:=fP/2; qP:=fP/4; fW:=aW-hP; hW:=aW/2; fH:=aH-hP; hH:=aH/2; qH:=aH/4;
-%-------------------------------------------------------------------------------------------------
-pickup pencircle scaled fP;
-if s=cC:  cdw sbp(.05,.95)circ_O;
-ef s=cH:  dwv Z_b--Z_w; dw Z_m--Z_o; dwv Z_e--Z_t;
-ef s=cO:  dw circ_O;
-ef s=cN:  dwv Z_b--Z_w; dwv Z_e--Z_t; dwvs(1.4)(1.4hP,aH)--(aW-1.4hP,0);
-ef s=cS:  cdw sbp(.05,.45)circ_O; cdw sbp(.55,.95)circ_O; dw (fW,.3aH){up}..{up}(hP,.7aH);
-ef s=cF:  dwh Z_q--Z_u; dwh (0,.45aH)--(fW,.45aH); dw Z_b--Z_r;
-ef s=cP:  dwv Z_b--Z_w; dw Z_r--(.65aW,fH){right}..(fW,.7aH)..{left}(.65aW,.44aH)..(hP,.44aH);
-ef s="I": dwv Z_x--Z_s; dwh (hW-fP,hP)--(hW+fP,hP); dwh (hW-fP,fH)--(hW+fP,fH);
-ef s="l": dwv Z_g--Z_f; dwh Z_s--Z_r; dwh Z_x--Z_z;
-ef s="2": cdw (hP,1.3hP)..(.4fW,.35fH)..(fW,.65aH)..Z_s..(hP,.65aH); dwh Z_d--Z_a;
-ef s="3": cdw sbp(0,.75)circ_Oh; cdw sbp(.25,.98)circ_Oh shifted (0,hH-hP); dwh (.3aW,hH)--Z_y;
-ef s="4": dwh Z_j--Z_k; dwv Z_l--(0.75aW,aH)--(1.2hP,qH+hP); dwv (.75aW+qP,aH)--(1.7hP,qH+hP);
-ef s="A": dwvs(1.14)Z_b--Z_f--Z_e; dw .33[Z_b,Z_f]--.33[Z_e,Z_f];
-ef s="B": dw Z_r--Z_s{right}..(.9fH,.75aH)..{left}Z_y--Z_m--Z_y{right}..(.9fH,qH)..{left}Z_x--Z_c;
-          dwv Z_b--Z_w;
-ef s="D": dw Z_r--Z_s..Z_o..Z_x--Z_c; dwv Z_b--Z_w;
-ef s="E": pickup pensquare scaled fP; dw Z_z--Z_c--Z_r--Z_n; dw Z_m--Z_o;
-ef s="G": cdw sbp(.06,.97)circ_O; dwh bot Z_y-- bot Z_v;
-ef s="J": cdw Z_m..(hP,.4aH){down}..{right}Z_x{right}..{up}(fW,.4aH)..Z_t;
-ef s="K": cdw Z_b--Z_w; cdw .35[.45[Z_b,Z_w],Z_u]--Z_e; cdw .35[Z_b,Z_w]--Z_u;
-ef s="L": dwh Z_d--Z_a; dwv Z_b--Z_w;
-ef s="M": dwv Z_b--Z_w; dwvs(1.14)Z_w--Z_x--Z_t; dwv Z_t--Z_e;
-ef s="Q": dw circ_O; dw (.6aW,.4aH)--Z_e;
-ef s="R": dwv Z_b--Z_w; dw Z_r--(.65aW,fH){right}..(fW,.7aH)..{left}(.65aW,.44aH)..(hP,.44aH);
-          cdw Z_e{up}..{left}(hW,.44aH);
-ef s="T": dwh Z_q--Z_u; dwv .5[Z_q,Z_u]--Z_g;
-ef s="U": cdw Z_w..Z_m{down}..{right}Z_x{right}..{up}Z_o..Z_t;
-ef s="V": dwvs(1.2)Z_w--Z_g--Z_t;
-ef s="W": dwvs(1.08)Z_w--(aW/4,0)--Z_f--Z_l--Z_t;
-ef s="X": dwvs(1.4)Z_w..Z_e; dwvs(1.4) Z_b..Z_t;
-ef s="Y": dwvs(1.2)Z_w--Z_y--Z_t; dwv Z_y--Z_g;
-ef s="Z": dwh Z_q--Z_u; dwvs(1.4)(1.4hP,fP)--(aW-1.4hP,aH-fP); dwh Z_a--Z_d;
-ef s="a": dw Z_x..Z_o..Z_s..Z_m..cycle; dwv Z_e--Z_t;
-ef s="b": dw Z_x..Z_o..Z_p..Z_m..cycle; dwv Z_b--(hP,1.3aH)
-ef s="c": cdw sbp(.06,.94)Z_o..Z_s..Z_m..Z_x..cycle;
-ef s="d": dw Z_x..Z_o..Z_p..Z_m..cycle; dwv Z_e--(fW,1.3aH);
-ef s="e": cdw sbp(0,.92)Z_o..Z_s..Z_m..Z_x..cycle; dw Z_o--Z_m;
-ef s="f": cdw (.4fW,0)--(.4fW,.75aH){up}..(.75aW,fH)..{down}(fW,.8aH); dwh Z_h--Z_v;
-ef s="g": dw circ_Oa; dw sbp(0,.5)circ_Oh shifted (0,-.5fH); cdw (fW,.7aH)--(fW,-qH);
-ef s="h": cdw Z_b..(hP,.3aH){up}..(hW,.7fH)..{down}(fW,.3aH)..Z_e; dwv (hP,.3aH)--Z_w;
-ef s="i": dwv Z_g--(hW,.7aH); ppcs 1.4fP; dw Z_s;
-ef s="j": cdw (fW,.7aH)--Z_z..(aW/4,-.66fP)..Z_c; ppcs 1.4fP; dw Z_n;
-ef s="k": dwv Z_b--(hP,1.3fH); cdw .5[Z_b,Z_w]--Z_e; cdw .5[Z_b,Z_w]--Z_u;
-ef s="m": cdw Z_b..(hP,.3aH){up}..(.28aW,fH)..{down}(hW,.3aH)..Z_g;
-          cdw (hW,.6aH){up}..(.7aW,fH)..{down}(fW,.6aH)..Z_e; dwv (hP,.3aH)--Z_w;
-ef s="n": cdw Z_b{up}..(hW,.8fH)..{down}Z_o..Z_e; dwv Z_b--(hP,.8aH);
-ef s="o": dw Z_x..Z_o..Z_s..Z_m..cycle;
-ef s="p": dw Z_x..Z_o..Z_s..Z_m..cycle; dwv Z_w--(hP,-.3aH);
-ef s="q": dw Z_x..Z_o..Z_s..Z_m..cycle; dwv Z_t--(fW,-.3aH);
-ef s="r": cdw (sbp(.33,.72)Z_x..Z_o..Z_s..Z_m..cycle) shifted(0,-hP); dwv Z_b--Z_w;
-ef s="s": cdw sbp(.05,.45)circ_O; cdw sbp(.55,.95)circ_O; dw (fW,.3aH){up}..{up}(hP,.7aH);
-ef s="t": dwv Z_g--Z_f; dwh (0,.66aH)--(aW,.66aH);
-ef s="u": cdw Z_w..(hP,.55aH){down}..Z_x..(fW,.55aH){up}..Z_t; dwv Z_t--Z_e;
-ef s="v": dwv Z_w--Z_g--Z_t;
-ef s="w": dwv Z_w--(aW/4,0)--Z_f--Z_l--Z_t;
-ef s="x": dwvs(1.4)Z_w--Z_e; dwvs(1.4) Z_t--Z_b;
-ef s="y": dwvs(1.4)(Z_w--Z_y) shifted (0,-.3aH); dwvs(1.4)(Z_t--Z_b) shifted (0,-.3aH);
-ef s="z": dwh Z_q--Z_u; dwvs(1.4)(1.4hP,fP)--(aW-1.4hP,aH-fP); dwh Z_a--Z_d;
-ef s="0": dw Z_m...Z_s...Z_o...Z_x...cycle;
-ef s="1": dwv Z_g--(hW,aH-.3hP)--(hW-fP,aH-fP)--(hW-fP,aH-1.5fP);
-ef s="5": dwh Z_q--Z_u; dwv Z_r--(hP,.55fH);
-          cdw (qP,.18aH)..(.65aW,1.3hP)..(fW,.4aH)..(hW,.63aH)..(.7hP,.56aH);
-ef s="6": dw Z_x..(fW,.5fW)..Z_i..(hP,.5fW)..cycle; cdw (.8fP,hH)--Z_f;
-ef s="7": dwh (0,.fH)--Z_u; dwvs(1.2)(aW-1.2hP,aH-fP)--(.4aW,0);
-ef s="8": dw circ_Oh; dw (hP,.75aH)...Z_s...(fW,.75aH)...Z_y...cycle;
-ef s="9": dw (Z_x..(fW,.5fW)..Z_i..(hP,.5fW)..cycle) shifted (0,.32aH); cdw (fW-.45fP,hH)--Z_g;
-ef s="-": dwh Z_m--Z_o;
-ef s="+": dwv Z_x--Z_s; dwh Z_m--Z_o;
-else:
-fi
+  aW:=atom_wd*tbl_char_wd[ASCII(s)]*(1-2ratio_atomgap_atom);
+  aH:=atom_wd*tbl_char_ht[ASCII(s)]*(1-2ratio_atomgap_atom);
+  cpos:=p-(aW/2,atom_wd/2*(1-2ratio_atomgap_atom));
+  fP:=bond_pen_wd*ratio_char_bond;
+  hP:=fP/2; qP:=fP/4; fW:=aW-hP; hW:=aW/2; fH:=aH-hP; hH:=aH/2; qH:=aH/4;
+  %-----------------------------------------------------------------------------------------------
+  pickup pencircle scaled fP;
+  if s=cC:  cdw sbp(.05,.95)circ_O;
+  ef s=cH:  dwv Z_b--Z_w; dw Z_m--Z_o; dwv Z_e--Z_t;
+  ef s=cO:  dw circ_O;
+  ef s=cN:  dwv Z_b--Z_w; dwv Z_e--Z_t; dwvs(1.4)(1.4hP,aH)--(aW-1.4hP,0);
+  ef s=cS:  cdw sbp(.05,.45)circ_O; cdw sbp(.55,.95)circ_O; dw (fW,.3aH){up}..{up}(hP,.7aH);
+  ef s=cF:  dwh Z_q--Z_u; dwh (0,.45aH)--(fW,.45aH); dw Z_b--Z_r;
+  ef s=cP:  dwv Z_b--Z_w; dw Z_r--(.65aW,fH){right}..(fW,.7aH)..{left}(.65aW,.44aH)..(hP,.44aH);
+  ef s="I": dwv Z_x--Z_s; dwh (hW-fP,hP)--(hW+fP,hP); dwh (hW-fP,fH)--(hW+fP,fH);
+  ef s="l": dwv Z_g--Z_f; dwh Z_s--Z_r; dwh Z_x--Z_z;
+  ef s="2": cdw (hP,1.3hP)..(.4fW,.35fH)..(fW,.65aH)..Z_s..(hP,.65aH); dwh Z_d--Z_a;
+  ef s="3": cdw sbp(0,.75)circ_Oh; cdw sbp(.25,.98)circ_Oh shifted (0,hH-hP); dwh (.3aW,hH)--Z_y;
+  ef s="4": dwh Z_j--Z_k; dwv Z_l--(0.75aW,aH)--(1.2hP,qH+hP); dwv (.75aW+qP,aH)--(1.7hP,qH+hP);
+  ef s="-": dwh Z_m--Z_o;
+  ef s="+": dwv Z_x--Z_s; dwh Z_m--Z_o;
+  ef s="A": dwvs(1.14)Z_b--Z_f--Z_e; dw .33[Z_b,Z_f]--.33[Z_e,Z_f];
+  ef s="B": dw Z_r--Z_s{right}..(.9fH,.75aH)..{left}Z_y--Z_m--Z_y{right}..
+            (.9fH,qH)..{left}Z_x--Z_c;
+            dwv Z_b--Z_w;
+  ef s="D": dw Z_r--Z_s..Z_o..Z_x--Z_c; dwv Z_b--Z_w;
+  ef s="E": pickup pensquare scaled fP; dw Z_z--Z_c--Z_r--Z_n; dw Z_m--Z_o;
+  ef s="G": cdw sbp(.06,.97)circ_O; dwh bot Z_y-- bot Z_v;
+  ef s="J": cdw Z_m..(hP,.4aH){down}..{right}Z_x{right}..{up}(fW,.4aH)..Z_t;
+  ef s="K": cdw Z_b--Z_w; cdw .35[.45[Z_b,Z_w],Z_u]--Z_e; cdw .35[Z_b,Z_w]--Z_u;
+  ef s="L": dwh Z_d--Z_a; dwv Z_b--Z_w;
+  ef s="M": dwv Z_b--Z_w; dwvs(1.14)Z_w--Z_x--Z_t; dwv Z_t--Z_e;
+  ef s="Q": dw circ_O; dw (.6aW,.4aH)--Z_e;
+  ef s="R": dwv Z_b--Z_w; dw Z_r--(.65aW,fH){right}..(fW,.7aH)..{left}(.65aW,.44aH)..(hP,.44aH);
+            cdw Z_e{up}..{left}(hW,.44aH);
+  ef s="T": dwh Z_q--Z_u; dwv .5[Z_q,Z_u]--Z_g;
+  ef s="U": cdw Z_w..Z_m{down}..{right}Z_x{right}..{up}Z_o..Z_t;
+  ef s="V": dwvs(1.2)Z_w--Z_g--Z_t;
+  ef s="W": dwvs(1.08)Z_w--(aW/4,0)--Z_f--Z_l--Z_t;
+  ef s="X": dwvs(1.4)Z_w..Z_e; dwvs(1.4) Z_b..Z_t;
+  ef s="Y": dwvs(1.2)Z_w--Z_y--Z_t; dwv Z_y--Z_g;
+  ef s="Z": dwh Z_q--Z_u; dwvs(1.4)(1.4hP,fP)--(aW-1.4hP,aH-fP); dwh Z_a--Z_d;
+  ef s="a": dw Z_x..Z_o..Z_s..Z_m..cycle; dwv Z_e--Z_t;
+  ef s="b": dw Z_x..Z_o..Z_p..Z_m..cycle; dwv Z_b--(hP,1.3aH)
+  ef s="c": cdw sbp(.06,.94)Z_o..Z_s..Z_m..Z_x..cycle;
+  ef s="d": dw Z_x..Z_o..Z_p..Z_m..cycle; dwv Z_e--(fW,1.3aH);
+  ef s="e": cdw sbp(0,.92)Z_o..Z_s..Z_m..Z_x..cycle; dw Z_o--Z_m;
+  ef s="f": cdw (.4fW,0)--(.4fW,.75aH){up}..(.75aW,fH)..{down}(fW,.8aH); dwh Z_h--Z_v;
+  ef s="g": dw circ_Oa; dw sbp(0,.5)circ_Oh shifted (0,-.5fH); cdw (fW,.7aH)--(fW,-qH);
+  ef s="h": cdw Z_b..(hP,.3aH){up}..(hW,.7fH)..{down}(fW,.3aH)..Z_e; dwv (hP,.3aH)--Z_w;
+  ef s="i": dwv Z_g--(hW,.7aH); ppcs 1.4fP; dw Z_s;
+  ef s="j": cdw (fW,.7aH)--Z_z..(aW/4,-.66fP)..Z_c; ppcs 1.4fP; dw Z_n;
+  ef s="k": dwv Z_b--(hP,1.3fH); cdw .5[Z_b,Z_w]--Z_e; cdw .5[Z_b,Z_w]--Z_u;
+  ef s="m": cdw Z_b..(hP,.3aH){up}..(.28aW,fH)..{down}(hW,.3aH)..Z_g;
+            cdw (hW,.6aH){up}..(.7aW,fH)..{down}(fW,.6aH)..Z_e; dwv (hP,.3aH)--Z_w;
+  ef s="n": cdw Z_b{up}..(hW,.8fH)..{down}Z_o..Z_e; dwv Z_b--(hP,.8aH);
+  ef s="o": dw Z_x..Z_o..Z_s..Z_m..cycle;
+  ef s="p": dw Z_x..Z_o..Z_s..Z_m..cycle; dwv Z_w--(hP,-.3aH);
+  ef s="q": dw Z_x..Z_o..Z_s..Z_m..cycle; dwv Z_t--(fW,-.3aH);
+  ef s="r": cdw (sbp(.33,.72)Z_x..Z_o..Z_s..Z_m..cycle) shifted(0,-hP); dwv Z_b--Z_w;
+  ef s="s": cdw sbp(.05,.45)circ_O; cdw sbp(.55,.95)circ_O; dw (fW,.3aH){up}..{up}(hP,.7aH);
+  ef s="t": dwv Z_g--Z_f; dwh (0,.66aH)--(aW,.66aH);
+  ef s="u": cdw Z_w..(hP,.55aH){down}..Z_x..(fW,.55aH){up}..Z_t; dwv Z_t--Z_e;
+  ef s="v": dwv Z_w--Z_g--Z_t;
+  ef s="w": dwv Z_w--(aW/4,0)--Z_f--Z_l--Z_t;
+  ef s="x": dwvs(1.4)Z_w--Z_e; dwvs(1.4) Z_t--Z_b;
+  ef s="y": dwvs(1.4)(Z_w--Z_y) shifted (0,-.3aH); dwvs(1.4)(Z_t--Z_b) shifted (0,-.3aH);
+  ef s="z": dwh Z_q--Z_u; dwvs(1.4)(1.4hP,fP)--(aW-1.4hP,aH-fP); dwh Z_a--Z_d;
+  ef s="0": dw Z_m...Z_s...Z_o...Z_x...cycle;
+  ef s="1": dwv Z_g--(hW,aH-.3hP)--(hW-fP,aH-fP)--(hW-fP,aH-1.5fP);
+  ef s="5": dwh Z_q--Z_u; dwv Z_r--(hP,.55fH);
+            cdw (qP,.18aH)..(.65aW,1.3hP)..(fW,.4aH)..(hW,.63aH)..(.7hP,.56aH);
+  ef s="6": dw Z_x..(fW,.5fW)..Z_i..(hP,.5fW)..cycle; cdw (.8fP,hH)--Z_f;
+  ef s="7": dwh (0,.fH)--Z_u; dwvs(1.2)(aW-1.2hP,aH-fP)--(.4aW,0);
+  ef s="8": dw circ_Oh; dw (hP,.75aH)...Z_s...(fW,.75aH)...Z_y...cycle;
+  ef s="9": dw (Z_x..(fW,.5fW)..Z_i..(hP,.5fW)..cycle) shifted (0,.32aH); cdw (fW-.45fP,hH)--Z_g;
+  else:
+  fi
 enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 def warning_bond(expr a)=
@@ -1300,7 +1301,7 @@ enddef;
 %=================================================================================================
 def proc_info_out(expr f)=
   message "["&decimal(fig_num)&"]:"&inf_EN;
-  if (f=1)or(f=2): file_output:=jobname&"-info.aux"; ef f=3: file_output:=jobname&"-data.aux"; fi
+  if (f=1)or(f=2): file_output:=jobname&"-info.aux"; ef f=3: file_output:=jobname&"-lib.aux"; fi
   if (fig_num=1)and(f=2):
     printf tag[1] for i=2 upto aux_max: exitif tag[i]=""; &aux_delimiter&tag[i] endfor ; fi
   %--------------------------------------------------------------------------------------
@@ -1426,7 +1427,19 @@ enddef;
 def proc_mc_out(expr f)=
   message "["&decimal(fig_num)&"]:"&inf_EN;
   file_output:="temp-mc.aux";
-  for i=1 upto mc_row: printf (substring(0,mc_indent[i]) of blanks)&mc[i]; endfor
+  if mc_length<100:
+    nN:=split_comma(mc); nL:=length(mc); nA:=0;
+    forever:
+      for i=nN downto 1:
+        if at_comma[i]<=nA+mc_length:
+          printf substring(nA,at_comma[i]) of mc; nA:=at_comma[i]; exitif true;
+        fi
+      endfor
+      if nL-nA<=mc_length: printf substring(nA,nL) of mc; exitif true; fi
+    endfor
+  else:
+    for i=1 upto mc_row: printf (substring(0,mc_indent[i]) of blanks)&mc[i]; endfor
+  fi
   printf EOF;
 enddef;
 %=================================================================================================
@@ -1634,7 +1647,7 @@ def query(text s)=
   string line_s[][],sort_s[],sort_all[],key_s[],filter_tag[],filter_var[],info_s[];
   numeric row_cnt[],order[],order_tbl[],filter_sign[],filter_p[],at_semic[];
   unit_row:=f_mcf:=mc_row:=info_cnt:=key_cnt:=filter_cnt:=0; unit_cnt:=1;
-  file_input:=default_data_file; file_output:=default_temp_file;
+  file_input:=default_library; file_output:=default_temp_file;
   %-----------------------------------------------------------------------------------------------
   for list=s:
     at_colon:=scan_char(":",list,0,1); at_equal:=scan_char("=",list,0,1);
@@ -1747,4 +1760,9 @@ vardef split_semic(expr s)=
   nN:=at_semic[0]:=0;
   for i=1 upto length(s): if subc(i,s)=";": nN:=nN+1; at_semic[nN]:=i; fi endfor nN
 enddef;
+%-------------------------------------------------------------------------------------------------
+vardef split_comma(expr s)=
+  nN:=at_comma[0]:=0;
+  for i=1 upto length(s): if subc(i,s)=",": nN:=nN+1; at_comma[nN]:=i; fi endfor nN
+enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_code.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_code.pdf
new file mode 100644
index 00000000000..c4f74a9d589
--- /dev/null
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_code.pdf
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_code.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_code.tex
new file mode 100644
index 00000000000..90096a0f34a
--- /dev/null
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_code.tex
@@ -0,0 +1,118 @@
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% Print out mcf data list  (LuaLaTeX)                 by A.Yamaji   2022.03.13
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% ** mcf2graph.mf must be version 4.82
+% ** use mcf_library.mcf
+% ** typeset by LuaLaTeX(luamplib)
+\documentclass{article}
+\usepackage{luamplib}%
+\usepackage[T1]{fontenc}%
+\mplibcodeinherit{enable}%
+\mplibnumbersystem{double}%
+\mpliblegacybehavior{disabled}%
+%-------------------------------------------------------------------------
+\everymplib{%
+  if unknown Ph1:
+    input mcf2graph;
+    outputformat:="eps";
+    sw_output:=Fig+Calc;
+    fsize:=(35mm,34mm);
+    max_blength:=4mm;
+    row_h:=3.8mm;
+    def make_frame=
+      draw (0,0)--(185mm,0)--(185mm,h)--(0,h)--cycle wpcs thickness_frame;
+      draw (w,h-row_h)--(185mm,h-row_h) wpcs thickness_frame;
+      draw (w,h)--(w,0) wpcs thickness_frame;
+      draw ( 75mm,h)--( 75mm,h-row_h) wpcs thickness_frame;
+      draw (105mm,h)--(105mm,h-row_h) wpcs thickness_frame;
+      draw (130mm,h)--(130mm,h-row_h) wpcs thickness_frame;
+      draw (155mm,h)--(155mm,h-row_h) wpcs thickness_frame;
+    enddef;
+  fi
+}%
+%-------------------------------------------------------------------------
+\pagestyle{empty}
+\topmargin=-25mm
+\oddsidemargin=-12mm
+\textwidth=192mm
+\textheight=280mm
+\parindent=0mm
+\makeatletter
+%-------------------------------------------------------------------------
+\newcount \fig@num%
+\newif\ifCONT@%
+\edef\one{1}%
+\fig@num=0%
+%-------------------------------------------------------------------------
+\begin{document}
+\noindent%
+\begin{mplibcode}
+  beginfigm(":<0,0~nb")
+    if check(mc)=0:
+      MC(scantokens(mc))
+      ext(
+        defaultfont:="cmtt9";
+        label.lrt("[(No)]",(0,h));
+        label.llft("(EXA)",(w,h));
+        label.lrt("(Structure)",(8mm,18mm));
+        label.lrt("(Name)",(w,h));
+        label.lrt("(Category)",(75mm,h));
+        label.lrt("(MW)*1",(105mm,h));
+        label.lrt("(mw)*2",(130mm,h));
+        label.lrt("(fm)*3",(155mm,h));
+        label.lrt("(Molecular_Coding_Format)",(46mm,18mm));
+        label.lrt("*1_(MW):Molecular_weight(data)",(105mm,26mm));
+        label.lrt("*2_(mw):Molecular_weight(calculated)",(105mm,21mm));
+        label.lrt("*3_(fm):Molecular_formula(calculated)",(105mm,16mm));
+        make_frame;
+      )
+  fi
+  endfigm
+  fig_num:=0;
+\end{mplibcode}\vspace{-1.2pt}\\
+%------------------------------------------------------------------------
+\CONT@true%
+\loop%
+\advance\fig@num\@ne\relax%
+\begin{mplibcode}%
+%%%%%%  beginfigm("t:EXA","v+:*")
+%%%%%%  beginfigm("t:EXA","v+:1")
+  beginfigm("t:EXA","v+:2")
+    if check(mc)=0:
+      MC(scantokens(mc))
+      ext(
+        defaultfont:="cmtt9";
+        label.lrt("["&decimal(fig_num)&"]",(0,h));
+        label.llft(inf_EXA,(w,h));
+        if length(inf_EN)>23:
+          nA:=defaultscale; defaultscale:=23/length(inf_EN);
+          label.lrt(inf_EN, (w,h));
+          defaultscale:=nA;
+        else:
+          label.lrt(inf_EN, (w,h));
+        fi
+        label.lrt(inf_Cat,(75mm,h));
+        label.lrt(inf_MW,(105mm,h));
+        label.lrt(cal_MW,(130mm,h));
+        label.lrt(cal_FM,(155mm,h));
+        make_frame;
+        if mc_row>12: defaultscale:=0.6; row_h:=5.25;
+        ef mc_row>8:  defaultscale:=0.8; row_h:=6.5;
+        else: row_h:=10;
+        fi
+        for i=1 upto mc_row:
+          label.lrt(mc[i],(w+mc_indent[i]*4.25,h-(i-1)*row_h-11.5));
+        endfor
+      )
+      VerbatimTeX("\gdef\EN{"&inf_EN&"}");
+   fi
+  endfigm
+  VerbatimTeX("\gdef\EOF{"&decimal(f_EOF)&"}");
+\end{mplibcode}\vspace{-1.2pt}\\
+%------------------------------------------------------------------------
+%%%%%%%\ifnum\fig@num=10 \CONT@false \fi%
+\ifx\EOF\one \CONT@false \fi%
+\message{[\the\fig@num:\EN]}%
+\ifCONT@ \repeat%
+%------------------------------------------------------------------------------
+\end{document}
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp
index 65f884e4129..9be5d18af16 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp
@@ -1,14 +1,15 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format                      by Akira Yamaji  2022.02.27
+% Molecular Coding Format                      by Akira Yamaji  2022.03.13
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph;   %%% it must be version 4.81
-message "* mcf_exa_soc 2022.02.27";
+input mcf2graph;   %%% it must be version 4.82
+message "* mcf_exa_soc 2022.03.13";
 message "";
 %------------------------------------------------------------------------------
 %%%%sw_frame:=Outside;
 %%%%sw_numbering:=Bond;
 %%%%sw_numbering:=Atom;
 %%%%sw_frame:=Atom;
+sw_expand:=1;
 tag1:="J"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW";
 %------------------------------------------------------------------------------
 %% outputformat:="png"; hppp:=vppp:=0.1; outputtemplate:="%j-%3c.png";
@@ -28,8 +29,8 @@ max_blength:=4mm;
 %------------------------------------------------------------------------------
 %%%%  beginfigm("t:EN","v:Caffeine")          % select EN=Caffeine
 forever:
-%%%%  beginfigm("f:mcf_data_base","v+:*")     % 'mcf_data_base.mcf'(default)
-%%%%  beginfigm("f:temp","v+:*")                % use query output 'temp.mcf'
+%%%%  beginfigm("f:mcf_library","v+:*")       % 'mcf_library.mcf'(default)
+%%%%  beginfigm("f:temp","v+:*")              % use query output 'temp.mcf'
 %%%%  beginfigm("v+:*")                       % select all
   beginfigm("t:EXA","v+:1")                   % 'v+:1': select EXA=1
     if f_EOF=0: if check(mc)=0: MC(scantokens(mc)) fi fi
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
index f322a774e4f..4a658c43b56 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
index b4239bfccd6..8508fc134fd 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
@@ -1,25 +1,24 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF   Typeset with LuaLaTeX(luamplib)   by A.Yamaji   2022.02.27
+% Example of MCF   Typeset with LuaLaTeX(luamplib)   by A.Yamaji   2022.03.13
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ** mcf2graph.mf must be version 4.81
-% ** use mcf_data_base.mcf
+% ** mcf2graph.mf must be version 4.82
+% ** use mcf_library.mcf
 % ** typeset by LuaLaTeX(luamplib)
 \documentclass{article}
-\usepackage{luamplib}%
-\usepackage[T1]{fontenc}%
-\mplibcodeinherit{enable}%
-\mplibnumbersystem{double}%
-\mpliblegacybehavior{disabled}%
+\usepackage{luamplib}
+\usepackage[T1]{fontenc}
+\mplibcodeinherit{enable}
+\mplibnumbersystem{double}
+\mpliblegacybehavior{disabled}
 %-------------------------------------------------------------------------
-\everymplib{%
-  if unknown Ph1: input mcf2graph; fi
-  outputformat:="eps";
-  sw_output:=Fig+Calc;
-  fsize:=(35mm,24mm);
-  max_blength:=4mm;
-  defaultfont:="uhvr8r";
-  defaultsize:=8;
-  defaultscale:=1;
+\everymplib{
+  if unknown Ph1:
+    input mcf2graph;
+    outputformat:="eps";
+    sw_output:=Fig+Calc;
+    fsize:=(35mm,24mm);
+    max_blength:=4mm;
+  fi
 }%
 %-------------------------------------------------------------------------
 \pagestyle{empty}
@@ -28,34 +27,41 @@
 \textwidth=192mm
 \textheight=280mm
 \parindent=0mm
+\newcount\headeroff
+\headeroff=0
+\makeatletter
 %-------------------------------------------------------------------------
 \begin{document}
+\ifnum\z@=\headeroff%
 \begin{center}
  {\Huge\sf Molecular Coding Format examples} \vspace{5mm} \\
  Author : Akira Yamaji \quad Date : \today \\
  Located at : http://www.ctan.org/pkg/mcf2graph
 \end{center}
 {\small *typeset with LuaLaTeX \quad
-        *use molecular data base file 'mcf\_data\_base.mcf' \\
+        *use molecular library file 'mcf\_library.mcf' \\
         ** FM(fm):molecular formula (calculated) \quad 
         * MW(mw):molecular weight (calculated)} \vspace{3mm} \\
+\fi%
 %-------------------------------------------------------------------------
 \noindent%
-\makeatletter
-\newbox \f@box%
-\newcount \f@num%
-\newcount \t@num%
+\newbox \fig@box%
+\newcount \fig@num%
+\newcount \col@num%
 \font\labelM=cmtt8 at 6pt\relax%
 %-------------------------------------------------------------------------
-\f@num=1%
-\t@num=0%
+\fig@num=0%
+\col@num=0%
 \unitlength=0.01mm%
+\edef\zero{0}%
 \noindent%
 %-------------------------------------------------------------------------
 \newif\ifCONT@%
 \CONT@true%
 \loop%
-\sbox{\f@box}{%
+\advance\fig@num\@ne\relax%
+\advance\col@num\@ne\relax%
+\sbox{\fig@box}{%
 \begin{mplibcode}
   beginfigm("t:EXA","v+:1")
     if check(mc)=0:
@@ -64,22 +70,26 @@
       VerbatimTeX("\gdef\MW{"&inf_MW&"}");
       VerbatimTeX("\gdef\mw{"&cal_MW&"}");
       VerbatimTeX("\gdef\fm{"&cal_FM&"}");
-    fi
+   fi
   endfigm
+  VerbatimTeX("\gdef\EOF{"&decimal(f_EOF)&"}");
 \end{mplibcode}
 }%
 %------------------------------------------------------------------------
-\begin{picture}(3750,3350)%
-  \put(20,3000){\footnotesize\bf \EN}%
-  \put(20,2750){\labelM mw:\mw { / }fm:\fm}%
-  \put(20,2530){\labelM MW:\MW { / }[\the\f@num]}%
-  \put(0,0){\makebox(3750,2530){\usebox{\f@box}}}%
-\end{picture}%
+\ifx\EOF\zero%
+  \begin{picture}(3750,3350)%
+    \put(20,3000){\footnotesize\bf \EN}%
+    \put(20,2750){\labelM mw:\mw { / }fm:\fm}%
+    \put(20,2530){\labelM MW:\MW { / }[\the\fig@num]}%
+    \put(0,0){\makebox(3750,2530){\usebox{\fig@box}}}%
+  \end{picture}%
+  \ifnum\col@num=5 \\ \col@num=\z@ \fi%
+\else%
+  \CONT@false%
+\fi%
 %------------------------------------------------------------------------
-\advance\f@num\@ne\relax%
-\advance\t@num\@ne\relax%
-\ifnum\t@num=5 \\ \t@num=\z@ \fi%
-\ifnum\f@num=156 \CONT@false \fi%
+%%%%%%%%\ifnum\fig@num=10 \CONT@false \fi%
+\message{[\the\fig@num:\EN]}%
 \ifCONT@ \repeat%
 %------------------------------------------------------------------------------
 \end{document}
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_library.mcf
index 6635993fc16..ac330fef919 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_library.mcf
@@ -1,5 +1,5 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% molecular data base file    mcf_data_base.mcf   by Akira Yamaji   2022.02.27
+% molecular library file    mcf_library.mcf   by Akira Yamaji   2022.03.13
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 %  tag1:var1;tag2:var2;tag3:var3 .....
 %  first character of line "%" comment out
@@ -501,7 +501,7 @@ Cat:biological;EN:Paclitaxel;MW:853.918;EXA:1
 +------------------------------------------------------------------------------
 Cat:biological;EN:Mevastatin;MW:390.52;EXA:1
 +
-<30,?6,2=dl,4:*/H^60,-4=?6,-4=dl,9:*/_,                      
+<30,?6,2=dl,4:*/H^60,-4=?6,-4=dl,9:*/_,
  @10,*\,!,60~wb,?6,6:O,-2://O,-4:/*OH,@5,\*,O,60,//O,!,*/_,!2 
 +------------------------------------------------------------------------------
 Cat:biological;EN:Sesamine;MW:354.35;EXA:1
@@ -564,7 +564,7 @@ Cat:biological;EN:Aflatoxin B2;MW:314.3;EXA:-
 <30,Ph,6=?6,-2=?5,4=?5,-2=?5,10=dl,{7,14,17}:O,
  2:/O!,{8,11}://O,{15^-54,16^54}:*/H
 +------------------------------------------------------------------------------
-Cat:biological;EN:Aflatoxin G1;MW:328.27;EXA:-
+Cat:biological;EN:Aflatoxin G1;MW:328.27;EXA:2
 +
 <30,Ph,6=?6,-2=?6,4=?5,-2=?5,{-2,10}=dl,{7,12,15,18}:O,
  2:/O!,{8,11}://O,{16^-54,17^54}:*/H
@@ -672,7 +672,7 @@ Cat:synthetic;EN:12-Crown-4;MW:176.21;EXA:-
 +
 <-180,O,30,60,60,O,-30,60,60,O,-30,60,60,O,-30,60,&1
 +------------------------------------------------------------------------------
-Cat:synthetic;EN:15-Crown-5;MW:220.26;EXA:-
+Cat:synthetic;EN:15-Crown-5;MW:220.26;EXA:2
 +
 <-180,O,48,60,60,O,-48,60,60,O,-48,60,60,O,-48,60,60,O,-48,60,&1
 +------------------------------------------------------------------------------
@@ -1165,7 +1165,7 @@ Cat:pesticide;EN:Halosulfuron-methyl;MW:434.82;EXA:-
 +,
 <6,?5,{3,5}=db,{1,2}:N,5:/Cl,@3,\,SOO,!,NH,!,//O,!,NH,!,Ph,@4,\,//O,!,O,!
 +------------------------------------------------------------------------------
-Cat:pesticide;EN:Flupoxam;MW:460.8;EXA:-
+Cat:pesticide;EN:Flupoxam;MW:460.8;EXA:2
 +
 <30,Ph,4:/Cl,@1,\,?5,{-2,-4}=db,{-2,-4,-5}:N,-1:/Ph,@-3,\,//O,!,NH2,
  @3,\,!,O,!,/F^35,/F^-35,!,CF3
@@ -1847,7 +1847,7 @@ Cat:pesticide;EN:Silafluofen;MW:408.588;EXA:-
 +
 <30,Ph,@5,\,O,!,Ph,-1:/F,@10,\,!3,Si,??,!,Ph,-3:/O!2
 +------------------------------------------------------------------------------
-Cat:pesticide;EN:Spinosad;MW:731.968;EXA:-
+Cat:pesticide;EN:Spinosad;MW:731.968;EXA:2
 +
 <30,#1,<-120,60,60,-60,60,60,60,-60,60,60,60,-60,&1,##,
  5=?5,-1=dl,{-2^60,-3^-35}:/*H,-3=?6,-4=dl,{-1^35,-2'^-60}:*/H,-2=?5,
@@ -2194,6 +2194,13 @@ Cat:antibacterial;EN:Oxaziclomefone;MW:376.277;EXA:-
 <30,?6,6=dl,4:N,2:O,1:/_,5://O,6:/Ph,@4,\,??,!,|,Ph,{3,5}:/Cl
 +------------------------------------------------------------------------------
 %******************************************************************************
+Cat:biological;EN:Okadaic acid;MW:805.00;EXA:2
++
+<30,?6,@4,?6,@-4,\,!3,<-12,?5,@-3,<-12,?6,-3=?6,@-3,*\,!3,
+ ?6,@-4,?6,@6,\,!,/*_^-40,*/OH^20,!,//O,!1,OH,
+ 3=wb,11=dl,15=dr,17=wf,19=wf,38=wb,{5,7,16,24,25,33,42}:O,
+ 32:*/H^60,10:/_,{12,31,37'}:*/_,27://_,28:/OH,{3,29}:/*OH
++------------------------------------------------------------------------------
 Cat:antibiotics;EN:Vancomycin;MW:1449.25;EXA:2
 +
 <-30,#1,!12,{1,3,12}=zf,7=wf,/H^-60,60,*/OH,60,
@@ -2219,14 +2226,7 @@ Cat:biological;EN:Maitotoxin;MW:3425.86;EXA:2
  {6,46,50,53,60,67,74}:*/H^-60,
  {9,18,85,93,112,139,143,147}:*/_^60`1,{80,88,97,108',115,120,124}:/*_^-60`1,
  @$6,\,|,!11,60~dr,-60,60,OH,{2',7,10}:*/OH,{1,3,8'}:*/_,11://_,12:/_,
-   @6,\,O,30,SOO,30,"O{Na}",
- @$36,-45~zf,O,30,SOO,30,"O{Na}",
+   @6,\,O,30,SOO,30,ONa,
+ @$36,-45~zf,O,30,SOO,30,ONa,
  @$150,\,|,!7,{1,2}:/*OH,4:*/_,5:/*_,7=dl
 +------------------------------------------------------------------------------
-Cat:biological;EN:Okadaic acid;MW:805.00;EXA:2
-+
-<30,?6,@4,?6,@-4,\,!3,<-12,?5,@-3,<-12,?6,-3=?6,@-3,*\,!3,
- ?6,@-4,?6,@6,\,!,/*_^-40,*/OH^20,!,//O,!1,OH,
- 3=wb,11=dl,15=dr,17=wf,19=wf,38=wb,{5,7,16,24,25,33,42}:O,
- 32:*/H^60,10:/_,{12,31,37'}:*/_,27://_,28:/OH,{3,29}:/*OH
-+------------------------------------------------------------------------------
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mp b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mp
index f77f6bf94c9..da1e9b80930 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mp
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mp
@@ -1,9 +1,9 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format file for mcf_manual.tex  by Akira.Yamaji 2022.02.27
+% Molecular Coding Format file for mcf_manual.tex  by Akira.Yamaji 2022.03.13
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph;   %% it must be version 4.81
-% ** use data base file 'mcf_data_base.mcf'
-message "mcf_man_soc 2022.02.27"; message "";
+input mcf2graph;   %% it must be version 4.82
+% ** use library file 'mcf_library.mcf'
+message "mcf_man_soc 2022.03.13"; message "";
 %------------------------------------------------------------------------
 sw_mframe:=0;
 sw_expand:=0;
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
index 1b00d2848be..cec3c7ffbca 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
index 0dd00f333a1..01d25e170ce 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
@@ -1,5 +1,5 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-%  Molecular Coding Format manual                by  Akira Yamaji 2022.02.27
+%  Molecular Coding Format manual                by  Akira Yamaji 2022.03.13
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \documentclass[a4paper]{article}
 \usepackage[pdftex]{graphicx}
@@ -1384,8 +1384,8 @@ endfigm
 \subsection{Luciferin}
 \index{check()}%
 \begin{verbatim}
-(use data base file 'mcf_data_base')
-beginfigm("f:mcf_data_base",
+(use library file 'mcf_library')
+beginfigm("f:mcf_library",
           "t:EN","v:Luciferin")
   fsize:=(50mm,15mm);
   if check(mc)=0: MC(scantokens(mc)) fi
@@ -1519,7 +1519,7 @@ beginfigm("EN:Cholesterol","MW:386.65",                 >information
   if check(mc)=0: MC(scantokens(mc)) fi                 > mc=mc1 - mc4
 endfigm                                                 >
 %------------------------------------------------------------------------------
-beginfigm("f:mcf_data_base.mcf","t:EN","v:Adenine")     > from mcf_data_base.mcf
+beginfigm("f:mcf_library.mcf","t:EN","v:Adenine")       > from mcf_library.mcf
   if check(mc)=0: MC(scantokens(mc)) fi                 > select EN="Adenine"
 endfigm                                                 >
 %------------------------------------------------------------------------------
@@ -1536,8 +1536,8 @@ beginfigm("t:n","v+:4")                                 > v+:4 = select No.4
 endfigm                                                 >
 %------------------------------------------------------------------------------
 forever:
-%%%%%%%%%%  beginfigm("f:mcf_data_base","v+:*")          > select all
-  beginfigm("f:mcf_data_base","t:EXA","v+:1")            > 'v+:1'= select EXA=1
+%%%%%%%%%%  beginfigm("f:mcf_library","v+:*")            > select all
+  beginfigm("f:mcf_library","t:EXA","v+:1")              > 'v+:1'= select EXA=1
     if f_EOF=0: if check(mc)=0: MC(scantokens(mc)) fi fi >       keep file open
   endfigm                                                >    
   exitif f_EOF=1;                                        > exit if file end
@@ -1548,10 +1548,10 @@ bye
 %------------------------------------------------------------------------
 \noindent%
 \newpage
-\subsection{Molecular data base file}
+\subsection{Molecular library file}
 \begin{verbatim}
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% molecular data base file    mcf_data_base.mcf   by Akira Yamaji   2021.11.14
+% molecular library file    mcf_library.mcf   by Akira Yamaji   2022.03.13
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 %  tag1:var1;tag2:var2;tag3:var3 .....
 %  first character of line "%" comment out
@@ -1616,7 +1616,7 @@ Cat:biological;EN:Stearic acid;MW:284.48
 %--------------------------------------------------------------
 % query()
 %
-% "f:filename" : input file name  (default "mcf_data_base.mcf")
+% "f:filename" : input file name  (default "mcf_library.mcf")
 % "o:filename" : output file name (default "temp.mcf")
 % "s:sort-key" : sort by sort-key 
 %
@@ -1627,7 +1627,7 @@ Cat:biological;EN:Stearic acid;MW:284.48
 % filter 3  : MW<=295
 %--------------------------------------------------------------
 query("s:EN",
-%%%%%    "f:mcf_data_base.mcf","o:temp.mcf","s:EN",
+%%%%%    "f:mcf_library.mcf","o:temp.mcf","s:EN",
       "Cat=biological","MW>=285","MW<=295");
 %--------------------------------------------------------------
 forever:
@@ -1767,9 +1767,9 @@ sw_output=Mcode           %% file name = 'temp-mc.aux'
 <30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH
 
 \end{verbatim}
-\paragraph{(Output data-base file)}
+\paragraph{(Output library file)}
 \begin{verbatim}
-sw_output=Info+Mcode      %% file name = 'jobname-data.aux'
+sw_output=Info+Mcode      %% file name = 'jobname-lib.aux'
 
 (result)
 Cat:biological;EN:Adenine;MW:135.13;EXA:1
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
index a4e6396a01c..91de41e545f 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
index be3e077f28c..8a37c827609 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
@@ -1,8 +1,8 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of  MCF typest with LuaLaTeX(luamplib)    by A.Yamaji    2022.02.27
+% Example of  MCF typest with LuaLaTeX(luamplib)    by A.Yamaji    2022.03.13
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ** mcf2graph.mp must be version 4.81
-% ** use mcf_data_base.mcf
+% ** mcf2graph.mp must be version 4.82
+% ** use mcf_library.mcf
 \documentclass{article}
 %------------------------------------------------------------------------------
 \usepackage{luamplib}%
@@ -39,7 +39,7 @@
 \section{MCF example}
 \noindent%
 %------------------------------------------------------------------------------------
- use molecular data base file 'mcf\_exa\_data.mcf' \\
+ use molecular library file 'mcf\_library.mcf' \\
 {{\tt FM(fm) :} molecular formula (calculated) \\
 {{\tt MW(mw) :} molecular weight (calculated)
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
@@ -111,9 +111,9 @@ endfigm
 \newpage
 \subsection{Chlorophyll a}
 \noindent%
-( read data-base file )
+( read library file )
 \begin{verbatim}
-beginfigm("f:mcf_data_base.mcf","t:EN","v:Chlorophyll a","NO:-")
+beginfigm("f:mcf_library.mcf","t:EN","v:Chlorophyll a","NO:-")
   sw_output:=Fig+Calc+Mcode;                 %%%% output temp-mc.aux %%%%
   fsize:=(100mm,30mm);
   if check(mc)=0:
@@ -128,7 +128,7 @@ endfigm
 \end{verbatim}
 %------------------------------------------------------------------------------------
 \begin{mplibcode}
-beginfigm("f:mcf_data_base.mcf","t:EN","v:Chlorophyll a","NO:-")
+beginfigm("f:mcf_library.mcf","t:EN","v:Chlorophyll a","NO:-")
   sw_output:=Fig+Calc+Mcode; fsize:=(100mm,30mm);
   if check(mc)=0:
     MC(scantokens(mc))
@@ -142,7 +142,7 @@ endfigm
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \subsection{Dinophysistoxin-1}
 \noindent%
-( read data-base file + pass mcf to beginfigm() )
+( read library file + pass mcf to beginfigm() )
 \begin{verbatim}
 beginfigm("t:EN","v:Okadaic acid","EN:Dinophysistoxin-1",
           "MW:819",":,38:*/_,65=red")  %%%% add methyl group (color red) %%%%
@@ -176,7 +176,7 @@ endfigm;
 %----------------------------------------------------------------------------
 \subsection{Maitotoxin}
 \noindent%
-( read data-base file )
+( read library file )
 %--------------------------------------------------------------------------------
 \begin{verbatim}
 %--------------------------------------------------------------------------------
@@ -198,7 +198,7 @@ endfigm;
 \begin{mplibcode}
   beginfigm("t:EN","v:Maitotoxin")
     sw_output:=Fig+Calc+Mcode;
-    fsize:=(120mm,60mm); fmargin:=(0,3mm); sw_frame:=Outside;
+    fsize:=(120mm,60mm); fmargin:=(0,3mm); sw_frame:=Outside; %% mc_length:=40;
     if check(mc)=0: MC(scantokens(mc))
       VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}");
       VerbatimTeX("\gdef\mw{"&cal_MW&"}\gdef\fm{"&cal_FM&"}");