mcf2graph (19mar16)

git-svn-id: svn://tug.org/texlive/trunk@40075 c570f23f-e606-0410-a88d-b1316a301751

10 files changed, 93 insertions, 75 deletions

diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
index b8ecc306c02..3137460edb4 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
@@ -1,6 +1,10 @@
 *******************************************************************************
- Changelog of mcf2graph software package    by Akira Yamaji 2016-03-05
+ Changelog of mcf2graph software package    by Akira Yamaji 2016-03-19
 *******************************************************************************
+[ver. 3.84  / 2016-03-19]
+  -improve efficiency of command @,:
+  -update MCF syntax manual
+
 [ver. 3.83  / 2016-03-05]
   -change option parameter name
      sw_logout  => sw_auxout
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README
index d9ff8db8463..773c46846b6 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 METAFONT/METAPOST
  Author     : Akira Yamaji
- version    : 3.83 2016-03-05
+ version    : 3.84 2016-03-19
  E-mail     : mcf2graph@gmail.com
  Located at : http://www.ctan.org/pkg/mcf2graph
 ********************************************************************************
@@ -53,13 +53,13 @@
  font_wd#:=60mm#;     % font width                      > 
  font_ht#:=40mm#;     % font height                     >
  %-- molecular definition -----------------------------------------------
- beginfont("EN:Acetamiprid")           % Molecular name 1
-   sw_font_frame:=1;                   %                > Local setting
-   MCf(<30,Ph,4\,!,NH,!,!~dr,N,!,CN)   % Molecular Coding Format
+ beginfont("EN:Acetamiprid")           % molecular 1
+   sw_font_frame:=1;                   % > Local setting
+   MCf(<30,Ph,4\,!,NH,!,!~dr,N,!,CN)   % MCF
  endfont                               %
- beginfont("EN:Imidacloprid")          % Molecular name 2
- sw_start_vector:=1;                   %                > Gloval setting
-  MCf(<30,Ph,1:N,6:/Cl,3\,!,           % Molecular Coding Format
+ beginfont("EN:Imidacloprid")          % molecular 2
+ sw_start_vector:=1;                   % > Local setting
+  MCf(<30,Ph,1:N,6:/Cl,3\,!,           % MCF
            |,?5,1:N,3:NH,2\\,!,NO2)
  endfont
  %-----------------------------------------------------------------------
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
index 9593ce89724..3aa36766135 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
@@ -13,10 +13,11 @@ sw_atom_frame:=0;
 sw_numberB:=0;
 sw_expand:=0;
 sw_start_vector:=0;
-%%%%sw_info_formula:=1;
-%%%%sw_info_weight:=1;
-%%%%sw_checklist:=1;
-%%%%sw_MOLout:=1;
+%%%% sw_info_formula:=1;
+%%%% sw_info_weight:=1;
+%%%% sw_checklist:=1;
+%%%% sw_MOLout:=1;
+%%%% outputformat:="png"; hppp:=vppp:=0.1; outputtemplate:="%j-%3c.png";
 %***************************************************************************
 beginfont("EN:Acetamiprid")
   MCf(<30,Ph,4\,!,NH,!,!~dr,N,!,CN)
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
index c4075007512..e85094d8f01 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_man_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
index bccfa6d0588..149370c2b6e 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
@@ -55,7 +55,6 @@ beginfont("EN:Jump")
   sw_numberA:=1;
   max_bond_width:=0.20;
   ratio_chain_ring:=1;
-  sw_start_vector:=1;
   MCf(<30,!6,3*,0,!)
 endfont
 %***********************************************************************
@@ -63,7 +62,6 @@ beginfont("EN:Branch")
   sw_numberA:=1;
   max_bond_width:=0.20;
   ratio_chain_ring:=1;
-  sw_start_vector:=1;
   MCf(<30,!6,3\,!)
 endfont
 %***********************************************************************
@@ -71,7 +69,6 @@ beginfont("EN:Connect bond")
   sw_numberA:=1;
   max_bond_width:=0.20;
   ratio_chain_ring:=1;
-  sw_start_vector:=1;
   MCf(<30,!6,3\,-60,&5)
 endfont
 %***********************************************************************
@@ -162,31 +159,27 @@ endfont
 beginfont("EN:fused ring 1")
   sw_start_vector:=1;
   sw_numberB:=1;
-  numberB_end:=6;
-  MCf(<30,?6,3=?5)
+  MCf(<30,?6,3=?5,$(3)dt,$(7,8,9,10)bd)
 endfont
 %***********************************************************************
 beginfont("EN:fused ring 1")
   sw_start_vector:=1;
   sw_numberB:=1;
-  MCf(<30,?6,$(-3,-4,-4,-2,-2,-4,-4)?6)
+  MCf(<30,?6,$(-3,-4,-4,-2,-2,-4,-4)?6,$(4,8,13,20,25,28,33)dt)
 endfont
 %***********************************************************************
 beginfont("EN:fused ring 2")
  sw_numberB:=1;
- numberB_end:=11;
- MCd(1,.7)( 0,0)(<30,?6,3=?6,(11,4)=?6[4])
- MCd(1,.6)(.54,1)(<30,?6,3=?6,(11,4)=?5[3])
- MCd(1,.6)(1, 0)(<30,?6,3=?6,(11,4)=?4[2])
+ MCd(1,.7)( 0,0)(<30,?6,3=?6,(11,4)=?6[4],$(11,4)dt,$(12,13,14,15)bd)
+ MCd(1,.6)(.54,1)(<30,?6,3=?6,(11,4)=?5[3],$(11,4)dt,$(12,13,14)bd)
+ MCd(1,.6)(1, 0)(<30,?6,3=?6,(11,4)=?4[2],$(11,4)dt,$(12,13)bd)
 endfont
 %***********************************************************************
 beginfont("EN:fused ring 3")
   sw_numberB:=1;
-  numberB_end:=16;
-  MCd(1,.55)(0,0)(?6,$(3,10)?6,(16,4)=?6[3])
-  MCd(1,.55)(.43,1)(?6,$(3,10)?6,(16,4)=?5[2])
-  numberB_end:=21;
-  MCd(1,.53)(1,0)(<30,?6,$(2,10,15)?6,(21,3)=?6[2])
+  MCd(1,.55)(0,0)(?6,$(3,10)?6,(16,4)=?6[3],$(16,4)dt,$(17,18,19)bd)
+  MCd(1,.55)(.5,1)(?6,$(3,10)?6,(16,4)=?5[2],$(16,4)dt,$(17,18)bd)
+  MCd(1,.68)(1,0)(?6,$(3,10,15)?6,(21,4)=?6[2],$(21,4)dt,$(22,23)bd)
 endfont
 %***********************************************************************
 beginfont("EN:Spiro ring ")
@@ -268,7 +261,7 @@ endfont
 %***********************************************************************
 beginfont("EN:change atom and substituent")
   sw_start_vector:=1;
-  MCf(<30,!3,NH,!,SOO,!3)
+  MCf(<30,!2,NH,!,SO,!,SOO,!3)
 endfont
 %***********************************************************************
 beginfont("EN:Change color")
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
index ea09ae88d63..9234c8801d1 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 047b10e3da7..81219e15e38 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
@@ -1,4 +1,4 @@
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 %  Molecular Coding Format manual        by  Akira Yamaji 2016.03.05
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \documentclass[a4paper]{article}
@@ -59,9 +59,9 @@
  {\LARGE\bf Molecular Coding Format manual}\vspace{3mm}\\
  Author : Akira Yamaji \quad Date : \today\\
  Located at : http://www.ctan.org/pkg/mcf2graph\vspace{3mm}\\
-\begin{minipage}{145mm}
-\quad Molecular Coding Format(MCF) is new linear notation represent chmical 
- structure diagram. This 'Coding' is named from coding(programing) technique
+\begin{minipage}{148mm}
+\quad Molecular Coding Format(MCF) is new linear notation represent chemical 
+ structure diagrams. This 'Coding' is named from coding(programing) technique
  like adressing,grouping,macro,etc. There are no Meta language commands in MCF.
  mcf2graph.mf(metapost/metafont macro) convert MCF file to graphics file
  pk font,PNG,SVG,EPS or MDL MOL file(V2000). \\
@@ -79,15 +79,16 @@ sw_auxout:=1;         % aux(information) file output on >
 sw_numberA:=0;        % numbering atom off              >
 sw_numberB:=0;        % numbering bond off              >
 sw_expand:=0;         % substituent expand mode off     >
-sw_start_vector:=0;   % start vector output off         >Gloval setting
+sw_start_vector:=0;   % start vector output off         > Gloval setting
 sw_info_formula:=1;   % molecular formula output on     >
 sw_info_weight:=1;    % molecular weight output on      >
 sw_font_frame:=0;     % font frame off                  >
 font_wd#:=60mm#;      % font width                      > 
 font_ht#:=40mm#;      % font height                     >
+outputformat:="png"; hppp:=vppp:=0.1;                   > PNG output
+outputtemplate:="%j-%3c.png";                           >
 %-------------------------------------------------------------------------
 beginfont("NO:1","EN:Chlorophyll a","MW:893.49")  % begin font(information)
-  %-----------------------------------------------------------------------
   sw_font_frame:=1;     % font frame on                 >
   font_wd#:=120mm#;     % font width set                >  Local setting
   font_ht#:=80mm#;      % font height set               >
@@ -111,8 +112,6 @@ bye
 {\bf (Molecular structure diagram output)}\vspace{3mm}\\
  \frame{\makebox(100,44){\@strufont\char0}}\vspace{6mm}\\
 %----------------------------------------------------------------------------
-\newpage%
-%----------------------------------------------------------------------------
 \noindent%
 {\bf (Molecular information output)}
 \begin{verbatim}
@@ -279,11 +278,11 @@ six membered ring
 \begin{minipage}[t][37mm]{90mm}
 \MCFtitle{Change bond type (1)}
 \begin{verbatim}
-~bond : change bond 
-  dm:double,
-  dl:double left side,  dr:double right side,
-  wf:wedge forward,     wb:wedge backward,
-  zf:wedge dotted,      zb:wedge dotted backward
+a~type : ~~type,a
+dm:double,
+dl:double left side, dr:double right side,
+wf:wedge forward, wb:wedge backward,
+zf:wedge dotted, zb:wedge dotted backward
 
   <30,!~dm,!~dl,!~dr,!~wf,!~wb,!~zf,!~zb
 \end{verbatim}
@@ -294,9 +293,9 @@ six membered ring
 \begin{minipage}[t][37mm]{90mm}
 \MCFtitle{Change bond type (2)}
 \begin{verbatim}
-  Bn=bond type : change bond type at Bn
-  vf : vector forward, vb : vector backward
-  tm : triple, dt : dotted, wv : wave
+Bn=bond type : change bond type at Bn
+vf : vector forward, vb : vector backward
+tm : triple, dt : dotted, wv : wave
 
   <30,!5,1=vf,2=vb,3=tm,4=dt,5=wv
 \end{verbatim}
@@ -313,6 +312,7 @@ six membered ring
   <30,!5,$(2,4)dr,
          @(3~bd^-45`2,5~ov^45`2)/Me
 
+** 3~bd^-45`2 : ~~bd,^^-45,'`2,3
 \end{verbatim}
 \end{minipage}
 \MCFstructure
@@ -321,9 +321,11 @@ six membered ring
 \begin{minipage}[t][37mm]{90mm}
 \MCFtitle{Change bond length (1)}
 \begin{verbatim}
-Bn`length : change bond length at Bn
+(!,!n,?n)`length : change length of !,!n,?n
 
   <30,!2,!2`1.2,!2
+
+** !2`1.2 : '`1.2,!2
 \end{verbatim}
 \end{minipage}
 \MCFstructure
@@ -479,11 +481,11 @@ MCd(1,.6)(  1,0)(<30,?6,3=?6,(11,4)=?4[2])
 \begin{verbatim}
 (16,4)=?6[3] : fuse 3/6 ring to B16..B4
 (16,4)=?5[2] : fuse 2/5 ring to B16..B4
-(21,3)=?6[2] : fuse 2/6 ring to B21..B3
+(21,4)=?6[2] : fuse 2/6 ring to B21..B4
 
-MCd(1,.5)( 0, 0)(?6,$(3,10)?6,(16,4)=?6[3])
-MCd(1,.5)(.43,1)(?6,$(3,10)?6,(16,4)=?5[2])
-MCd(1,.5)(1,0)(<30,?6,$(2,10,15)?6,(21,3)=?6[2])
+MCd(1,.55)( 0,0)(?6,$(3,10)?6,(16,4)=?6[3])
+MCd(1,.55)(.5,1)(?6,$(3,10)?6,(16,4)=?5[2])
+MCd(1,.68)(1, 0)(?6,$(3,10,15)?6,(21,4)=?6[2])
 \end{verbatim}
 \end{minipage}
 \MCFstructure
@@ -545,7 +547,7 @@ MCf(<30,
 \MCFtitle{Insert substituent(2)}
 \begin{verbatim}
 /  : single          // : double
-*/ : wedge forward   /* : wedge backward
+*/ : wedge forward   /* : wedge dotted forward
 ** : direct
 
 MCf(<30,!,//O,!,/*H,!,*/H,!,/?3,!,**?3,!)
@@ -598,8 +600,8 @@ MCf(<30,?6,
 \begin{minipage}[t][37mm]{90mm}
 \MCFtitle{Add substituent(3)}
 \begin{verbatim}
-~,^,` : change type,angle,length
-        of substituent
+~,^,`,> : change type,angle,length,
+          environment of substituent
 
 MCF(<30,!7`1,
 @(2,3)/*Me`2^30,5:*/Pr>lr,7:*/Pr>rl)
@@ -654,10 +656,10 @@ MCF(<30,!7`1,
 \begin{minipage}[t][37mm]{90mm}
 \MCFtitle{Change atom and Substituent}
 \begin{verbatim}
-NH,SOO : inset hetero atom and substituent
-         simultaneously
+NH,SO,SOO : inset hetero atom and substituent
+            simultaneously
 
-  <30,!3,NH,!,SOO,!3
+  <30,!2,NH,!,SO,!,SOO,!3
 
 \end{verbatim}
 \end{minipage}
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 7ecb0c5f8c9..e7c934bb561 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/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
index 2b79e0b9c5c..86a70da2d4b 100644
--- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
+++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
@@ -1,5 +1,5 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 3.83     Copyright (c) 2013-2016  Akira Yamaji
+% mcf2graph ver 3.84     Copyright (c) 2013-2016  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,
@@ -38,7 +38,8 @@ numeric angB[],angA[],br_ang[],sB[],eB[],f_FON[],atom_w[],atom_h[],atom_d[],strA
         comMC[][],parMC[][],stock_p[],cntMC[],colorA[],colorB[],tblN[],tblB[][],wtA[],sumA[],
         CH[],NH[],NO[],SO[],CCl[],CF[],CBr[],?[],![],Ph[];
 path    pA,pB,pC,pT;
-string  info[],tblA[],com_str[],calc_formula,mp_log_name,mol_name,mol_formula,calc_weight_str;
+string  info[],tblA[],com_str[],
+        calc_formula,mp_log_name,mol_name,mol_formula,calc_weight_str,info_str;
 picture atom_font[],chem_structure,temp_picture;
 %-------------------------------------------------------------------------------------------------
 sw_numberA:=sw_numberB:=sw_mol_frame:=sw_auxout:=sw_solid:=sw_expand:=sw_start_vector:=0;
@@ -46,6 +47,7 @@ char_num:=str_cnt:=proc_end:=sw_font_frame:=sw_atom_frame:=sw_checklist:=sw_MOLo
 sw_info_lenx:=sw_info_leny:=sw_info_weight:=sw_info_formula:=sw_subst_off:=sw_bond_single:=0;
 sw_info_file:=sw_info_char:=1;
 numberA_start:=numberB_start:=1; numberA_end:=numberB_end:=4095;
+info_str:="\INFO";
 %-------------------------------------------------------------------------------------------------
 if known green:  f_MP:=1;
   mp_log_name:=jobname&"-info.aux";
@@ -82,7 +84,7 @@ 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;
 def_com(-4000)(_term,_jp_atom,_jp_atom_abs,_jp_bond,_cyc,_cyc_sB,_cyc_eB,_set_line,_chg_line,
- _dl,_tmp_line,_chg_len,_get_len,_ring_len,_tmp_len,_rot_ang,_set_ang,_adj_ang,_chg_env,
+ _dl,_N,_O,_S,_H,_tmp_line,_chg_len,_get_len,_ring_len,_tmp_len,_rot_ang,_set_ang,_adj_ang,_chg_env,
  _tmp_env,_set_colorA,_set_colorB,_postA,_postB,_postC,_postD,_postE,_postF,_set_psA,_stack_reset,
  _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);
@@ -249,26 +251,38 @@ def $$(text t)(expr e) =
 enddef;
 %-------------------------------------------------------------------------------------------------
 def PA(expr a,b)= cntAS:=cntAS+1; comMC[ab_num][cntAS]:=a; parMC[ab_num][cntAS]:=b; enddef;
+def PAs(text t)= for list==t:: PA(xpart(list),ypart(list)) endfor enddef;
 def @@(text t)(expr s)=
-  begingroup  save cntAS; cntAS:=0; ab_num:=ab_num+1;
+  begingroup  save cntAS,xs,ys; cntAS:=0; ab_num:=ab_num+1;
     if known s:: if numeric s::
-      if (s>=H)and(s<=U):: for list==t:: PA(_set_adr,list) PA(_chg_atom,s) endfor
-      elseif s==NH:: for list==t::
-                         if numeric list:: PA(_set_adr,list) PA(_chg_atom,N)
-                            PA(_tmp_line,no) PA(_tmp_len,_size_a) PA(_set_psA,H)
-                         elseif pair list:: PA(xpart(list),ypart(list)) fi endfor
-      elseif s==SOO:: for list==t::  PA(_set_adr,list) PA(_chg_atom,S)
-                         PA(_tmp_rot,35)  PA(_tmp_line,dm) PA(_set_psA,O)
-                         PA(_tmp_rot,-35) PA(_tmp_line,dm) PA(_set_psA,O) endfor
+      if (s>=H)and(s<=U)::
+         for list==t::
+            if     s==N:: PA(_N,list) elseif s==O:: PA(_O,list) elseif s==S:: PA(_S,list)
+            else::        PA(_set_adr,list) PA(_chg_atom,s) fi
+         endfor
+      elseif s==NH::
+        for list==t::
+          if  numeric list:: PAs((_N,list),~~no,'`_size_a,(_H,list))
+          elseif pair list:: PAs(list) fi
+        endfor
+      elseif s==SOO::
+        for list==t::
+          PAs((_S,list),(_set_adr,list),^^35,~~dm,(_set_psA,O),^^-35,~~dm,(_set_psA,O))
+        endfor
+      elseif s==SO::
+        for list==t::
+          if  numeric list:: PAs((_S,list),(_set_adr,list),~~dm,(_set_psA,O))
+          elseif pair list:: PAs(list) fi
+        endfor
       fi
     elseif pair s::  xs:=xpart(s); ys:=ypart(s); PA(_set_clr,1)
       for list==t::
         if numeric list::
-          if     xs==_postA::                   elseif xs==_postB:: PA(_tmp_line,dm)
-          elseif xs==_postC:: PA(_tmp_line,wf)  elseif xs==_postD:: PA(_tmp_line,zf)
-          elseif xs==_postE:: PA(_tmp_line,nl)  elseif xs==_postF:: PA(_tmp_line,no) fi
-          PA(_set_adr,list) PA(_set_psA,ys)
-        elseif pair list:: PA(xpart(list),ypart(list)) fi
+          if     xs==_postA::            elseif xs==_postB:: PAs(~~dm)
+          elseif xs==_postC:: PAs(~~wf)  elseif xs==_postD:: PAs(~~zf)
+          elseif xs==_postE:: PAs(~~nl)  elseif xs==_postF:: PAs(~~no) fi
+          PA(_set_adr,list)  PA(_set_psA,ys)
+        elseif pair list:: PAs(list) fi
       endfor
       PA(_set_clr,0)
       elseif color s:: color_list[incr cntC]:=s;
@@ -367,6 +381,10 @@ def proc_bond_atom(expr n)=
   elseif com=0or_jp_atom:  termA;  sB[cntB+1]:=getA(par); f_bra:=1;
   elseif com=_jp_atom_abs: sB[cntB+1]:=par; f_bra:=1; temp_cntB:=cntB;
   elseif com=_chg_atom:   strA[getA(adrT)]:=parMC[par][1];
+  elseif com=_N:          strA[getA(par)]:=parMC[N][1];
+  elseif com=_O:          strA[getA(par)]:=parMC[O][1];
+  elseif com=_S:          strA[getA(par)]:=parMC[S][1];
+  elseif com=_H:          ps_put(getA(par),H);
   elseif com=_chg_len: if par=_ring_len: bondL:=ringL;
                        elseif par=0: if lenT<>crR: bondL:=lenT; else: if bondL<0: bondL:=1; fi fi
                        else: bondL:=par; fi
@@ -549,7 +567,7 @@ vardef fit_zero(expr n)=if n<=9: "00" elseif n<=99: "0" fi enddef;
 def info_c(expr sw,c,cc)= if sw=1: &"{"&c&":"&cc&"}" fi enddef;
 def info_n(expr sw,c,n)=  if sw=1: &"{"&c&":"&decimal(n)&"}" fi enddef;
 def auxfile_out=
-  printf "\INFO{"
+  printf info_str&"{"
     info_c(sw_info_file,"F",jobname)  info_n(sw_info_char,"C",char_num)
     info_n(sw_info_lenx,"Lx",len_x)   info_n(sw_info_leny,"Ly",len_y)
     info_n(sw_info_weight,"MWc",calc_weight)    info_c(sw_info_formula,"FMc",calc_formula)
@@ -727,7 +745,7 @@ tbl_cnt:=0;
 STa("C",12.0107); STa("H",1.00794);  STa("{Al}",26.9815); STa("{As}",74.9236); STa("B",10.811);
 STa("{Br}",79.904); STa("{Ca}",40.078); STa("{Cl}",35.453); STa("{Cu}",63.546); STa("D",2.012);
 STa("F",18.9984); STa("{Fe}",55.845); STa("{Hg}",200.59); STa("I",126.90447); STa("K",39.0983);
-STa("{Li}",6.941); STa("{Mg}",24.305); STa("N",14.007); STa("{Na}",22.990); STa("{Ni}",58.693);
+STa("{Li}",6.941); STa("{Mg}",24.305); STa("N",14.0067); STa("{Na}",22.98977); STa("{Ni}",58.693);
 STa("O",15.9994); STa("P",30.973761); STa("S",32.065); STa("{Si}",28.0855); STa("{Sn}",118.71);
 STa("{Ti}",47.867); STa("{Zn}",65.409);
 tbl_max:=tbl_cnt;;
diff --git a/Master/tlpkg/libexec/ctan2tds b/Master/tlpkg/libexec/ctan2tds
index cf6822a840d..4cc3858573a 100755
--- a/Master/tlpkg/libexec/ctan2tds
+++ b/Master/tlpkg/libexec/ctan2tds
@@ -2346,7 +2346,7 @@ my $core_latex = "$Master/texmf-dist/tex/latex";
  'mversion'     => 'latex',  # requires interaction
  'minitoc'      => 'latex',  # requires interaction and 1000q instead of 10q
  'mylatexformat'=> 'tex',
- 'nameauth'     => 'pdflatex',  # requires interaction
+ 'nameauth'	=> 'pdflatex-preserve-pdf',
  'nomentbl'     => 'latex -translate-file=empty.tcx',   # no 8-bit
  'pbsheet'      => 'latex',  # requires interaction
  'thumb'        => 'latex -translate-file=empty.tcx',   # no 8-bit