texlive[44875] Master/texmf-dist: mcf2graph (23jul17)
commits+karl at tug.org
commits+karl at tug.org
Sun Jul 23 22:41:09 CEST 2017
Revision: 44875
http://tug.org/svn/texlive?view=revision&revision=44875
Author: karl
Date: 2017-07-23 22:41:09 +0200 (Sun, 23 Jul 2017)
Log Message:
-----------
mcf2graph (23jul17)
Modified Paths:
--------------
trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
trunk/Master/texmf-dist/doc/metapost/mcf2graph/README
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-064.eps
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG 2017-07-23 20:40:48 UTC (rev 44874)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG 2017-07-23 20:41:09 UTC (rev 44875)
@@ -1,6 +1,15 @@
*******************************************************************************
- Changelog of mcf2graph software package by Akira Yamaji 2017-07-17
+ Changelog of mcf2graph software package by Akira Yamaji 2017-07-23
*******************************************************************************
+[ver. 4.25 / 2017-07-23]
+ -improve label,arrow emulation
+ -change variable name
+ Bs[] => B[]s
+ Be[] => B[]e
+ B[]ang => B[]dir
+ A[]bra => B[]dir
+ -update MCF syntax manual
+
[ver. 4.24 / 2017-07-17]
-atom font can be changed
-update MCF syntax manual
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/README
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/README 2017-07-23 20:40:48 UTC (rev 44874)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/README 2017-07-23 20:41:09 UTC (rev 44875)
@@ -1,7 +1,7 @@
********************************************************************************
mcf2graph : Convert Molecular Coding Format to graphics with METAFONT/METAPOST
Author : Akira Yamaji
- version : 4.24 2017-07-17
+ version : 4.25 2017-07-23
E-mail : mcf2graph at gmail.com
Located at : http://www.ctan.org/pkg/mcf2graph
********************************************************************************
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf 2017-07-23 20:40:48 UTC (rev 44874)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf 2017-07-23 20:41:09 UTC (rev 44875)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2017.07.17
+% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2017.07.23
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf; %%% it must be version 4.24 or later
+input mcf2graph.mf; %%% it must be version 4.25 or later
%-------------------------------------------------------------------------
font_wd:=33mm;
font_ht:=24mm;
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
===================================================================
(Binary files differ)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-064.eps
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-064.eps 2017-07-23 20:40:48 UTC (rev 44874)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-064.eps 2017-07-23 20:41:09 UTC (rev 44875)
@@ -2,7 +2,7 @@
%%BoundingBox: -1 -1 212 60
%%HiResBoundingBox: -0.09962 -0.09962 211.90288 59.64348
%%Creator: MetaPost 2.000
-%%CreationDate: 2017.07.10:1950
+%%CreationDate: 2017.07.23:0937
%%Pages: 1
%%DocumentResources: procset mpost-minimal
%%+ font NJFVSO-NimbusSanL-Regu ICXWUR-CMR8
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf 2017-07-23 20:40:48 UTC (rev 44874)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf 2017-07-23 20:41:09 UTC (rev 44875)
@@ -111,9 +111,25 @@
numberB_end:=6;
ratio_chain_ring:=1;
%----------------------------------------------------------------------
- MCf(<30,-60,60,-90,120,-90,60,
- {1^-60,2^60,3^-45,4^30,5^-45,6^60}:/_~dt`.4
+ MCf(<15,-30,45,-45,30,-30,60,
+ {1^-75,2^67.5,3^-60,4^75,5^-75,6^60}:/_~dt
)
+ ext(
+ defaultsize:=4bp;
+ labeloffset:=2bp;
+ drawarrow .7[B7s,B7e]{dir(B7dir-90)}..{dir(B1dir-90)}.7[B1s,B1e];
+ label.ulft("-30",.7[B7s,B7e]);
+ drawarrow .7[B8s,B8e]{dir(B8dir+90)}..{dir(B2dir+90)}.7[B2s,B2e];
+ label.llft("45",.7[B8s,B8e]);
+ drawarrow .7[B9s,B9e]{dir(B9dir-90)}..{dir(B3dir-90)}.7[B3s,B3e];
+ label.ulft("-45",.7[B9s,B9e]);
+ drawarrow .7[B10s,B10e]{dir(B10dir+90)}..{dir(B4dir+90)}.7[B4s,B4e];
+ label.llft("30",.7[B10s,B10e]);
+ drawarrow .7[B11s,B11e]{dir(B11dir-90)}..{dir(B5dir-90)}.7[B5s,B5e];
+ label.ulft("-30",.7[B11s,B11e]);
+ drawarrow .7[B12s,B12e]{dir(B12dir+90)}..{dir(B6dir+90)}.7[B6s,B6e];
+ label.llft("60",.7[B12s,B12e]);
+ )
endfont
%***********************************************************************
beginfont("EN:Chain 2")
@@ -123,8 +139,24 @@
ratio_chain_ring:=1;
%----------------------------------------------------------------------
MCf(<30,!6,
- {1^-60,2^60,3^-60,4^60,5^-60,6^60}:/_~dt`.6
+ {1^-60,2^60,3^-60,4^60,5^-60,6^60}:/_~dt
)
+ ext(
+ defaultsize:=4bp;
+ labeloffset:=2bp;
+ drawarrow .7[B7s,B7e]{dir(B7dir-90)}..{dir(B1dir-90)}.7[B1s,B1e];
+ label.ulft("-60",.7[B7s,B7e]);
+ drawarrow .7[B8s,B8e]{dir(B8dir+90)}..{dir(B2dir+90)}.7[B2s,B2e];
+ label.llft("60",.7[B8s,B8e]);
+ drawarrow .7[B9s,B9e]{dir(B7dir-90)}..{dir(B3dir-90)}.7[B3s,B3e];
+ label.ulft("-60",.7[B9s,B9e]);
+ drawarrow .7[B10s,B10e]{dir(B10dir+90)}..{dir(B4dir+90)}.7[B4s,B4e];
+ label.llft("60",.7[B10s,B10e]);
+ drawarrow .7[B11s,B11e]{dir(B11dir-90)}..{dir(B5dir-90)}.7[B5s,B5e];
+ label.ulft("-60",.7[B11s,B11e]);
+ drawarrow .7[B12s,B12e]{dir(B12dir+90)}..{dir(B6dir+90)}.7[B6s,B6e];
+ label.llft("60",.7[B12s,B12e]);
+ )
endfont
%***********************************************************************
beginfont("EN:Jump and Branch")
@@ -176,7 +208,7 @@
sw_numberA:=1;
ratio_chain_ring:=1;
%----------------------------------------------------------------------
- MCf(<30,!6,3:\,!,&5)
+ MCf(<30,!6,3:\,!,&5~bd)
endfont
%***********************************************************************
beginfont("EN:ring")
@@ -193,8 +225,18 @@
margin_top_bottom:=3mm;
sw_clip:=1;
sw_numberB:=1;
+ ratio_chain_ring:=1;
numberB_end:=5;
- MCf(``1,0,0,<90,0,<-90,0,0,{1,2,3,4,5}=vf,{3,4^180}:/_~dt`.5)
+ defaultsize:=4bp;
+ labeloffset:=2bp;
+ MCf(``1,0,0,<90,0,<-90,0,0,{1,2,3,4,5}=vf,
+ {3,4^180}:/_~dt)
+ ext(
+ drawarrow .7[B6s,B6e]{dir(B6dir+90)}..{dir(B3dir+90)}.7[B3s,B3e];
+ label.urt("90",.7[B6s,B6e]);
+ drawarrow .7[B7s,B7e]{dir(B7dir-90)}..{dir(B4dir-90)}.7[B4s,B4e];
+ label.urt("-90",.7[B7s,B7e]);
+ )
endfont
%***********************************************************************
beginfont("EN:change bond 1")
@@ -935,9 +977,9 @@
font_ht:=20mm;
MCd(1,0.7)(0,0.5)(<30,?6,3=dl,4:/CH3)
ext(
- B7:=0.37[Bs7,Be7];
label.top("+",A7);
- drawarrow B3{dir 0}..{dir 150}B7;
+ drawarrow B3{dir(B3dir-90)}..
+ {dir(B7dir+90)}0.4[B7s,B7e];
)
MCd(1,0.7)(1,0.5)(<30,?6,4://CH3)
ext(
@@ -1090,3 +1132,6 @@
%%%%
bye
ye
+
+ye
+
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
===================================================================
(Binary files differ)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex 2017-07-23 20:40:48 UTC (rev 44874)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex 2017-07-23 20:41:09 UTC (rev 44875)
@@ -1,7 +1,8 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format manual by Akira Yamaji 2017.07.17
+% Molecular Coding Format manual by Akira Yamaji 2017.07.23
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
+%%%%\documentclass[a4paper,twoside]{article}
%%%%\usepackage{graphicx}
\usepackage[dvipdfm]{graphicx}
%%%%\usepackage[pdftex]{graphicx}
@@ -13,6 +14,8 @@
\textheight=254mm
\textwidth=168mm
\oddsidemargin=0mm
+%%%%\oddsidemargin=7mm
+%%%%\evensidemargin=-7mm
\unitlength=1mm%
\makeatletter
%----------------------------------------------------------------------------
@@ -95,7 +98,7 @@
real number plus (+): anticlockwize
real number minus(-): clockwize
- <30,-60,60,-90,120,-90,60
+ <15,-30,45,-45,30,-30,60
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -152,7 +155,7 @@
\begin{verbatim}
&n : Connect to An
- <30,!6,3:\,!,&5
+ <30,!6,3:\,!,&5~bd
\end{verbatim}
\MCFstructure
%-----------------------------------------------------------------------------
@@ -1092,12 +1095,12 @@
l: bond length
An: atom number
A[m]: atom position
- A[m]bra: branch angle of A[m]
+ A[m]dir: branch direction of A[m]
Bn: bond number
- B[m]: bond position(0.5[Bs[m],Be[m]])
- Bs[m]: bond start position
- Be[m]: bond end position
- B[m]ang: bond angle
+ B[m]s: bond start position
+ B[m]e: bond end position
+ B[m]: bond position(0.5[B[m]s,B[m]e])
+ B[m]dir: bond direction
%----------------------------------------
beginfont()
@@ -1107,8 +1110,8 @@
MCd(1,0.7)(0,0.5)(<30,?6,3=dl,4:/CH3)
ext(
label.top("+",A7);
- B7:=0.37[Bs7,Be7];
- drawarrow B3{dir 0}..{dir 150}B7;
+ drawarrow B3{dir(B3dir-90)}..
+ {dir(B7dir+90)}0.4[B7s,B7e];
)
%---------------------------------------
MCd(1,0.7)(1,0.5)(<30,?6,4://CH3)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
===================================================================
(Binary files differ)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex 2017-07-23 20:40:48 UTC (rev 44874)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex 2017-07-23 20:41:09 UTC (rev 44875)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2017.07.17
+% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2017.07.23
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-%%% mcf2graph.mf it must be version 4.24 or later
+%%% mcf2graph.mf it must be version 4.25 or later
\documentclass{article}
%------------------------------------------------------------------------------
\usepackage{luamplib}%
Modified: trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
===================================================================
--- trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf 2017-07-23 20:40:48 UTC (rev 44874)
+++ trunk/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf 2017-07-23 20:41:09 UTC (rev 44875)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 4.24 Copyright (c) 2013-2017 Akira Yamaji
+% mcf2graph ver 4.25 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,
@@ -100,10 +100,6 @@
max_bond_length:=10mm; bond_len:=8mm;
font_wd:=30mm; font_ht:=20mm;
%==================================================================================================
-%%%%defaultfont:="uhvr8r"; % Helvetica
-%%%%defaultfont:="ucrr8r"; % Courier
-%%%%defaultfont:="ucrb8r"; % Courier bold
-%%%%defaultfont:="utmr8r"; % Times
ahangle:=45;
ahlength:=4bp;
defaultsize:=8bp;
@@ -129,7 +125,7 @@
sw_atom_frame,sw_font_frame,sw_subst_off,sw_bond_single,sw_clip,sw_arrow,
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,labeloffset,
+ ratio_wedge_bond,ratio_atomgap_atom,ratio_bond_width,font_wd,font_ht,
bond_len,offset_atom,offset_wedge,max_bond_length,offset_zebra_gap,offset_bond_gap,
thickness_font_frame,offset_thickness,numberA_start,numberA_end,numberB_start,numberB_end,
atomfontsize,defaultsize,defaultscale,labeloffset
@@ -335,52 +331,45 @@
labeloffset:=3bp;
em=defaultscale*defaultsize;
if (defaultfont="draw")or(f_MP=0):
+ save label,dotlabel;
def label = label_emu enddef;
def dotlabel = dotlabel_emu enddef;
fi
- if sw_arrow=0:
+ if (sw_arrow=0)or(f_MP=0):
+ save drawarrow,drawdblarrow;
def drawarrow = drawarrow_emu enddef;
def drawdblarrow = drawdblarrow_emu enddef;
fi
enddef;
%--------------------------------------------------------------------------------------------------
-def EXT(text s)=
+def EXT(text TXT)=
begingroup
save w,h,wd,ht,n,p,am,em,aw;
pair p[];
ext_setup;
- w:=font_wd;
- h:=font_ht;
- wd:=w-2margin_left_right;
- ht:=h-2margin_top_bottom;
+ w:=font_wd; h:=font_ht;
+ wd:=w-2margin_left_right; ht:=h-2margin_top_bottom;
p0:=(margin_left_right,margin_top_bottom);
aw:=atom_wd;
n:=cntM;
for i=1 upto n: p[i]:=posM[1][i]; endfor
- s addto mol_stru[0] also currentpicture; clearit; f_ext:=1;
+ TXT addto mol_stru[0] also currentpicture; clearit; f_ext:=1;
endgroup;
enddef;
%--------------------------------------------------------------------------------------------------
-def ext(text s)=
+def ext(text TXT)=
begingroup
- save wd,ht,n,l,p,am,em,aw,A,B,Bs,Be;
- numeric A[]bra,B[]ang;
- pair p[],A[],B[],Bs[],Be[];
+ save wd,ht,n,l,p,am,em,aw,A,B;
+ numeric A[]dir,B[]dir;
+ pair p[],A[],B[],B[]s,B[]e;
ext_setup;
- wd:=mol_wd;
- ht:=mol_ht;
- l:=bond_len;
- aw:=atom_wd;
- p0:=(minX,minY);
- An:=cntA;
- Bn:=cntB;
- for i=1 upto An: A[i]:=posA[i]; A[i]bra:=ang_br[i]; endfor
+ wd:=mol_wd; ht:=mol_ht; l:=bond_len; aw:=atom_wd;
+ p0:=(minX,minY); An:=cntA; Bn:=cntB;
+ for i=1 upto An: A[i]:=posA[i]; A[i]dir:=ang_br[i]; endfor
for i=1 upto Bn:
- Bs[i]:=posA[sB[i]]; Be[i]:=posA[eB[i]];
- B[i]:=0.5[Bs[i],Be[i]];
- B[i]ang:=angB[i];
+ B[i]s:=posA[sB[i]]; B[i]e:=posA[eB[i]]; B[i]:=0.5[B[i]s,B[i]e]; B[i]dir:=angB[i];
endfor
- s addto mol_stru[cntM] also currentpicture; clearit;
+ TXT addto mol_stru[cntM] also currentpicture; clearit;
endgroup;
enddef;
%==================================================================================================
@@ -747,7 +736,7 @@
if f_end=0:
if lenB[cntB+1]=_size_a: posBe:=sfB(posBs,atom_wd,angT);
else:
- nA:=lenB[cntB+1];glu:=0; if nA<0: nA:=-nA; glu_c(adrT); glu_c(cntA+1); fi
+ nA:=lenB[cntB+1]; glu:=0; if nA<0: nA:=-nA; glu_c(adrT); glu_c(cntA+1); fi
posBe:=sfB(posBs,nA*bond_len+glu,angT);
fi
posA[cntA+1]:=posBe; f_term:=0;
@@ -841,7 +830,11 @@
elseif LN=zf:wz_put(Ls,sfB(Le,ww,ap),sfB(Le,ww,am),nB);
elseif LN=zb:wz_put(Le,sfB(Ls,ww,am),sfB(Ls,ww,ap),nB);
elseif LN=dt:for i=0 step .75zebra_gap/length(Le-Ls) until 1: drawdot i[Ls,Le]; endfor
- elseif LN=wv:draw_wv;
+ elseif LN=wv:nB:=3bond_pen_wd; nA:=nB/length(Le-Ls);
+ draw Le for i=1 upto 1/nA:
+ if odd(i): ..controls(((i-.5)*nA)[sfB(Le,nB,ap),sfB(Ls,nB,ap)])
+ else: ..controls(((i-.5)*nA)[sfB(Le,nB,am),sfB(Ls,nB,am)]) fi
+ ..(i*nA)[Le,Ls] endfor ..Ls;
elseif LN=vf:draw pA Cp(nB);draw sfB(Le,bondgap,ANG-150)--Le--sfB(Le,bondgap,ANG+150) Cp(nB);
elseif LN=vb:draw pA Cp(nB);draw sfB(Ls,bondgap,ANG-30)--Ls--sfB(Ls,bondgap,ANG+30) Cp(nB);
elseif LN=si_:erase draw 0.15[Ls,Le]--0.85[Ls,Le] wpcs 0.8bondgap; draw pA Cp(nB);
@@ -862,11 +855,6 @@
fi
endgroup
enddef;
-%-------------------------------------------------------------------------------------------------
-def draw_wv= nB:=3bond_pen_wd; nA:=nB/length(Le-Ls);
- draw Le for i=1 upto 1/nA: if odd(i): ..controls(((i-.5)*nA)[sfB(Le,nB,ap),sfB(Ls,nB,ap)])
- else: ..controls(((i-.5)*nA)[sfB(Le,nB,am),sfB(Ls,nB,am)]) fi ..(i*nA)[Le,Ls] endfor ..Ls;
-enddef;
%------------------------------------------------------------------------------------------------
def wpcs expr n= withpen pencircle scaled n enddef;
def wpss expr n= withpen pensquare scaled n enddef;
@@ -901,8 +889,7 @@
def ring expr n= <((-180 DIV n)-90),(_chg_len,0),
for i==2 upto n:: ,(360 DIV n) endfor,(_cyc_sB,1-n) enddef;
for i=3 upto 20: ?[i]:='(|:,ring i,:|); endfor
-Ph:=Ph1:='(?6,(_dl,-2),(_dl,-4),(_dl,-6));
-Ph2:='(?6,(_dl,-1),(_dl,-3),(_dl,-5));
+Ph:=Ph1:='(?6,(_dl,-2),(_dl,-4),(_dl,-6)); Ph2:='(?6,(_dl,-1),(_dl,-3),(_dl,-5));
!:=!1:='((_mk_bond,_arg_ang)); !!:='(!,(_mb,db)); !!!:='(!,(_mb,tm)); !0:='(<180,180);
for i=2 upto 20: ![i]:='(|:,(_get_len,0),! for j==2 upto i::,! endfor,:|); endfor
Me:='(); Et:=!; Pr:=!2; Bu:=!3;
@@ -1114,30 +1101,18 @@
STa("{Hg}",200.59, 201.97064340); STa("I" ,126.90447,126.9044719);
STa("K" ,39.0983, 38.9637064864); STa("{Li}",6.941, 7.0160034366);
STa("{Mg}",24.305, 23.985041697); STa("{Mn}",54.938044, 54.93804391);
-STa("N" ,14.0067, 14.00307400443); STa("{Na}",22.98977, 22.9897692820);
-STa("{Ni}",58.693, 57.93534241); STa("O" ,15.9994, 15.99491461957);
-STa("P" ,30.973762, 30.97376199842); STa("S" ,32.065, 31.9720711744);
-STa("{Se}",78.971, 79.9165218); STa("{Si}",28.0855, 27.97692653465);
+STa("N" ,14.0067, 14.00307400443); STa("{Na}",22.98977, 22.9897692820);
+STa("{Ni}",58.693, 57.93534241); STa("O" ,15.9994, 15.99491461957);
+STa("P" ,30.973762, 30.97376199842); STa("S" ,32.065, 31.9720711744);
+STa("{Se}",78.971, 79.9165218); STa("{Si}",28.0855, 27.97692653465);
STa("{Sn}",118.71, 119.90220163); STa("{Ti}",47.867, 47.94794198);
STa("{Zn}",65.409, 63.92914201);
%--------------------------------------------------------------------------------------------------
STb("{H_2_}")("H","H"); STb("OH")("O","H"); STb("O{Na}")("O","{Na}"); STb("CN")("C","N");
STb("SH")("S","H"); STb("CHO")("C","H","O"); STb("N{O_2_}")("N","O","O");
-STb("N{H_2_}")("N","H","H");
-STb("S{O_3_}")("S","O","O","O"); STb("COOH")("C","O","O","H");
+STb("N{H_2_}")("N","H","H"); STb("S{O_3_}")("S","O","O","O"); STb("COOH")("C","O","O","H");
STb("C{H_3_}")("C","H","H","H"); STb("C{F_3_}")("C","F","F","F");
%==================================================================================================
-def proc_get_info=
- for j=1 upto inf_num:
- nA:=0; for i=0 upto length(info[j]): if pic_c(i,info[j])=":": nA:=i; fi exitif nA>0; endfor
- if nA>0:
- s_tag:=substring (0,nA) of info[j];
- s_var:=substring (nA+1,length(info[j])) of info[j];
- if known scantokens("inf_"&s_tag): scantokens("inf_"&s_tag):=s_var; fi
- fi
- endfor
-enddef;
-%==================================================================================================
def proc_calc_out=
begingroup
save warning_cnt,cal_MW,MWp,knownA,cal_FM,bondC,tmp_wtp,bond_cnt,cnt_hide_H,
@@ -1148,7 +1123,14 @@
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;
%------------------------------------------------------------------------------------------
- proc_get_info;
+ for j=1 upto inf_num:
+ nA:=0; for i=0 upto length(info[j]): if pic_c(i,info[j])=":": nA:=i; fi exitif nA>0; endfor
+ if nA>0:
+ s_tag:=substring (0,nA) of info[j];
+ s_var:=substring (nA+1,length(info[j])) of info[j];
+ if known scantokens("inf_"&s_tag): scantokens("inf_"&s_tag):=s_var; fi
+ fi
+ endfor
for i=1 upto tbl_cnt: sumA[i]:=0; endfor
for i=1 upto cntA:
knownA:=bond_cnt:=0;
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