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authorNorbert Preining <norbert@preining.info>2023-05-16 03:01:57 +0000
committerNorbert Preining <norbert@preining.info>2023-05-16 03:01:57 +0000
commit95bdae3d8a40af1f2f82f786dc29d3761fe431f1 (patch)
tree4cb1b7c64be8c954ee57d5154a0f1dd1b04591b5 /graphics/mcf2graph
parent014993dedbe2d05e6d159a257213d1113ccb2183 (diff)
CTAN sync 202305160301
Diffstat (limited to 'graphics/mcf2graph')
-rw-r--r--graphics/mcf2graph/CHANGELOG7
-rw-r--r--graphics/mcf2graph/README26
-rw-r--r--graphics/mcf2graph/main_lib.mcf2
-rw-r--r--graphics/mcf2graph/mcf2graph.mp19
-rw-r--r--graphics/mcf2graph/mcf_exa_soc.mp8
-rw-r--r--graphics/mcf2graph/mcf_example.pdfbin532115 -> 533462 bytes
-rw-r--r--graphics/mcf2graph/mcf_example.tex7
-rw-r--r--graphics/mcf2graph/mcf_manual.pdfbin318487 -> 315122 bytes
-rw-r--r--graphics/mcf2graph/mcf_manual.tex628
-rw-r--r--graphics/mcf2graph/template_lib.mcf2
-rw-r--r--graphics/mcf2graph/template_soc.mp8
11 files changed, 352 insertions, 355 deletions
diff --git a/graphics/mcf2graph/CHANGELOG b/graphics/mcf2graph/CHANGELOG
index 83f641847d..3e41294cc9 100644
--- a/graphics/mcf2graph/CHANGELOG
+++ b/graphics/mcf2graph/CHANGELOG
@@ -1,6 +1,11 @@
*******************************************************************************
- Changelog of mcf2graph software package by Akira Yamaji 2023-05-07
+ Changelog of mcf2graph software package by Akira Yamaji 2023-05-15
*******************************************************************************
+[ver. 5.01 / 2023-05-15]
+ -change command name
+ cv_at() => cvat()
+ -update MCF manual,example
+
[ver. 5.00 / 2023-05-07]
-change syntax of beginfigm()
beginfigm() => beginfigm
diff --git a/graphics/mcf2graph/README b/graphics/mcf2graph/README
index 7da0f7c1e5..1ee8252e7e 100644
--- a/graphics/mcf2graph/README
+++ b/graphics/mcf2graph/README
@@ -1,7 +1,7 @@
********************************************************************************
mcf2graph : Convert Molecular Coding Format to graphics with MetaPost
Author : Akira Yamaji
- version : 5.00 2023-05-07
+ version : 5.01 2023-05-15
E-mail : mcf2graph@gmail.com
Located at : http://www.ctan.org/pkg/mcf2graph
********************************************************************************
@@ -27,24 +27,24 @@
( 7) template_lib.mcf Template library file
( 8) template_soc.mp Template metapost source file
( 9) mcf_manual.tex MCF syntax manual
- (10) mcf_manual.pdf PDF of (8) typeset with LuaLaTeX
+ (10) mcf_manual.pdf PDF of (9) typeset with LuaLaTeX
(11) mcf_example.tex List of Molecule
- (12) mcf_example.pdf PDF of (10) typeset with LuaLaTeX
+ (12) mcf_example.pdf PDF of (11) typeset with LuaLaTeX
3. How to use mcf2graph with MetaPost
Minimum requirement to use mcf2graph : mpost.exe,mpost.dll,mpost.mp,plain.mp
- (1) >mcf_to_graph filename.mcf => output svg(default),png,mol,report
- (2) >mpost filename.mp => output svg file
- (3) >mpost -s ahangle=1 filename.mp => output png file (600dpi)
- (4) >mpost -s ahangle=11 filename.mp => output png file (1200dpi)
- (5) >mpost -s ahangle=2 filename.mp => output eps(.mps) file
- (6) >mpost -s ahangle=3 filename.mp => output eps(.eps) file
- (7) >mpost -s ahlength=5 filename.mp => output mol file(V2000)
- (8) >mpost -s ahlength=6 filename.mp => output mol file(V3000)
- (9) >mpost -s ahlength=7 filename.mp => output report file
+ (1) >mcf_to_graph filename.mcf => output svg(default),png,mol,report
+ (2) >mpost filename.mp => output svg file
+ (3) >mpost -s ahangle=1 filename.mp => output png file (600dpi)
+ (4) >mpost -s ahangle=11 filename.mp => output png file (1200dpi)
+ (5) >mpost -s ahangle=2 filename.mp => output eps(.mps) file
+ (6) >mpost -s ahangle=3 filename.mp => output eps(.eps) file
+ (7) >mpost -s ahlength=5 filename.mp => output mol file(V2000)
+ (8) >mpost -s ahlength=6 filename.mp => output mol file(V3000)
+ (9) >mpost -s ahlength=7 filename.mp => output report file
4. License
- mcf2graph ver 5.00 Copyright (c) 2013-2023 Akira Yamaji
+ mcf2graph ver 5.01 Copyright (c) 2013-2023 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/graphics/mcf2graph/main_lib.mcf b/graphics/mcf2graph/main_lib.mcf
index 11e821210c..a95f540582 100644
--- a/graphics/mcf2graph/main_lib.mcf
+++ b/graphics/mcf2graph/main_lib.mcf
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% molecular library file main_lib.mcf by Akira Yamaji 2023.05.07
+% molecular library file main_lib.mcf by Akira Yamaji 2023.05.15
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% tag1:var1;tag2:var2;tag3:var3 .....
% first character of line "%" comment out
diff --git a/graphics/mcf2graph/mcf2graph.mp b/graphics/mcf2graph/mcf2graph.mp
index 85e83b888d..dfa85f00e2 100644
--- a/graphics/mcf2graph/mcf2graph.mp
+++ b/graphics/mcf2graph/mcf2graph.mp
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 5.00 Copyright (c) 2013-2023 Akira Yamaji
+% mcf2graph ver 5.01 Copyright (c) 2013-2023 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,
@@ -30,7 +30,7 @@
% Set output MOL file (V3000) : mpost -s ahlength=6 FILENAME
% Set output report : mpost -s ahlength=7 FILENAME
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-message "* This is mcf2graph ver 5.00 2023.05.07";
+message "* This is mcf2graph ver 5.01 2023.05.15";
tracingstats:=1; prologues:=3; warningcheck:=0;
%-------------------------------------------------------------------------------------------------
newinternal string EN_;
@@ -44,10 +44,9 @@ string row[][],save_str[],tbl_atom_str[],str_tbl[],arg_s[],mc[],ex[],ad[],op[],
pair save_pair[],msize,mposition,fsize,fmargin,dum,save_mposition;
%-------------------------------------------------------------------------------------------------
fig_num:=str_cnt:=tbl_cnt:=mangle:=sw_expand:=sw_frame:=sw_trimming:=sw_ext_all:=sw_abbreviate:=0;
-sw_comment:=sw_output:=sw_numbering:=0; numbering_start:=1; numbering_end:=4095;
+sw_comment:=sw_output:=sw_numbering:=tag_cnt:=0; numbering_start:=1; numbering_end:=4095;
%-------------------------------------------------------------------------------------------------
aux_delimiter:=";"; blanks:= " "; dum:=(-4091,0);
-tag_cnt:=0;
for s="No","EN","JN","MW","MI","FM","CAT","CAS","USE","EXA","EXB": tag[incr tag_cnt]:=s; endfor
Fig:=1; Mcode:=2; Calc:=4; Info:=8; Table:=16; Report:=32; MOL2k:=64; MOL3k:=128;
Atom:=8; Bond:=16; Group:=32; Mol:=64; Outside:=1; Inside:=2; Bothside:=Outside+Inside;
@@ -270,7 +269,7 @@ def getm(expr a)=if string a: read_unit(get_adr("EN",a)) ef numeric a: read_unit
%-------------------------------------------------------------------------------------------------
def read_unit(expr n)=
save nF; nF:=0;
- if (n>=1)and(n<=unitcount):
+ if (n>=1)and(n<=ucount):
for i=1 upto info[n]:
for j=1 upto tag_cnt: if lib_tag[n][i]=tag[j]: scantokens(tag[j]):=lib_val[n][i]; fi endfor
endfor
@@ -293,7 +292,7 @@ enddef;
%=================================================================================================
vardef get_adr(expr t,v)=
save adr_n; adr_n:=0;
- for n=1 upto unitcount:
+ for n=1 upto ucount:
for i=1 upto info[n]:
for j=1 upto tag_cnt: if (lib_tag[n][i]=t)and(lib_val[n][i]=v): adr_n:=n; fi endfor
exitif adr_n>=1;
@@ -584,7 +583,7 @@ vardef lone_pair_add expr n=
image(draw (0,0) wpcs lonepairdiam; draw ((0,lonepairspace) rotated n) wpcs lonepairdiam;)
enddef;
%=================================================================================================
-def cv_at(expr w,h)(text t)=
+def cvat(expr w,h)(text t)=
save_mposition:=mposition; mposition:=(w,h); cv(t) mposition:=save_mposition; enddef;
%-------------------------------------------------------------------------------------------------
def cv(text t)=
@@ -1503,7 +1502,7 @@ enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
def savem(expr s)=
file_output:=s;
- for i=1 upto unitcount: for j=1 upto unit_lines[i]: printf row[i][j]; endfor endfor
+ for i=1 upto ucount: for j=1 upto unit_lines[i]: printf row[i][j]; endfor endfor
closefrom file_output;
enddef;
%-------------------------------------------------------------------------------------------------
@@ -1585,10 +1584,10 @@ def loadm(text s)=
fi
fi
endfor
- unitcount:=unit_cnt:=unit_cnt-1;
+ ucount:=unit_cnt:=unit_cnt-1;
%=============================================================================================
message "* Input : "&file_input&" ["&decimal(lib_unit_cnt)&"]";
- message "* Output : unitcount ["&decimal(unitcount)&"]";
+ message "* Output : ucount ["&decimal(ucount)&"]";
if filter_cnt>=1:
for i=1 upto filter_cnt:
message "* Filter("&decimal(i)&"): "&filter_tag[i]&" "&sign_s[filter_sign[i]]&filter_var[i];
diff --git a/graphics/mcf2graph/mcf_exa_soc.mp b/graphics/mcf2graph/mcf_exa_soc.mp
index 800dc86deb..9c1015a8f8 100644
--- a/graphics/mcf2graph/mcf_exa_soc.mp
+++ b/graphics/mcf2graph/mcf_exa_soc.mp
@@ -1,8 +1,8 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% MCF metapost souce file example by Akira Yamaji 2023.05.07
+% MCF metapost souce file example by Akira Yamaji 2023.05.15
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-if unknown mcftograph: input mcf2graph; fi %%% it must be version 5.00
-message "* mcf_template 2023.05.07";
+if unknown mcftograph: input mcf2graph; fi %%% it must be version 5.01
+message "* mcf_template 2023.05.14";
message "";
%------------------------------------------------------------------------------
fsize:=(30mm,20mm);
@@ -22,7 +22,7 @@ max_blength:=4mm;
%%%%loadm("EN<>*"); % select all
loadm("EXA=1"); % select EXA=1
%------------------------------------------------------------------------------
-for i=1 upto unitcount:
+for i=1 upto ucount:
beginfigm
getm(i);
putm;
diff --git a/graphics/mcf2graph/mcf_example.pdf b/graphics/mcf2graph/mcf_example.pdf
index f5288b08fc..ebe0054027 100644
--- a/graphics/mcf2graph/mcf_example.pdf
+++ b/graphics/mcf2graph/mcf_example.pdf
Binary files differ
diff --git a/graphics/mcf2graph/mcf_example.tex b/graphics/mcf2graph/mcf_example.tex
index adc419a67f..ff81da973c 100644
--- a/graphics/mcf2graph/mcf_example.tex
+++ b/graphics/mcf2graph/mcf_example.tex
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF Typeset with LuaLaTeX(luamplib) by A.Yamaji 2023.05.07
+% Example of MCF Typeset with LuaLaTeX(luamplib) by A.Yamaji 2023.05.15
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ** mcf2graph.mf must be version 5.00
+% ** mcf2graph.mf must be version 5.01
% ** use mcf_library.mcf
% ** typeset by LuaLaTeX(luamplib)
%-------------------------------------------------------------------------
@@ -29,7 +29,8 @@
Author : Akira Yamaji \quad Date : \today \\
Located at : http://www.ctan.org/pkg/mcf2graph
\end{center}
-{\small *typeset with LuaLaTeX \quad
+{\small *use 'mcf2grapf.mp' ver 5.01 \quad
+ *typeset with LuaLaTeX \quad
*use molecular library file 'main\_lib.mcf' \\
** FM(fm):molecular formula (calculated) \quad
* MW(mw):molecular weight (calculated)} \vspace{3mm} \\
diff --git a/graphics/mcf2graph/mcf_manual.pdf b/graphics/mcf2graph/mcf_manual.pdf
index f953b6e558..ba64d326b9 100644
--- a/graphics/mcf2graph/mcf_manual.pdf
+++ b/graphics/mcf2graph/mcf_manual.pdf
Binary files differ
diff --git a/graphics/mcf2graph/mcf_manual.tex b/graphics/mcf2graph/mcf_manual.tex
index 2434fb8b4c..afe294451f 100644
--- a/graphics/mcf2graph/mcf_manual.tex
+++ b/graphics/mcf2graph/mcf_manual.tex
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format manual by Akira Yamaji 2023.05.07
+% Molecular Coding Format manual by Akira Yamaji 2023.05.15
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ** mcf2graph.mf must be version 5.00
+% ** mcf2graph.mf must be version 5.01
% ** use main_lib.mcf
% ** typeset by LuaLaTeX(luamplib)
%----------------------------------------------------------------------------
@@ -36,6 +36,7 @@
\author{Akira Yamaji}
\date{\today}
\maketitle
+\begin{center} mcf2graph version 5.01 \end{center}
\begin{center} Located at http://www.ctan.org/pkg/mcf2graph \end{center}
\begin{center} Suggestion or request mail to: mcf2graph@gmail.com \end{center}
%-----------------------------------------------------------------------------
@@ -48,8 +49,8 @@ max_blength:=10mm;
ratio_thickness_bond:=0.015;
ratio_atom_bond:=0.36;
fmargin:=(2mm,1mm);
-fsize:=(40mm,25mm);
-blength:=6mm;
+fsize:=(40mm,24mm);
+blength:=5mm;
sw_frame:=0;
% Glycine",
beginfigm cv(<30,NH2,!2,COOH) endfigm
@@ -537,15 +538,15 @@ wb_r : wedge backward (half width)
\begin{mplibcode}
beginfigm
fsize:=(75mm,16mm);
- cv_at(0.05,0.5)(#1.25,-30~wf_r,30~bd_r`1,30~wb_r,120,O,30,&1,##,
+ cvat(0.05,0.5)(#1.25,-30~wf_r,30~bd_r`1,30~wb_r,120,O,30,&1,##,
#.5,{1^$-90,2^$90,3^$-90,4^$90}:/OH,6^$90:/!OH)
defaultscale:=0.6;
- cv_at(0.5,0.7)(0~wf_r) add(label.lft("wf_r:",A1);)
- cv_at(0.5,0.2)(0~wf) add(label.lft("wf:",A1);)
- cv_at(0.75,0.7)(0~bd_r) add(label.lft("bd_r:",A1);)
- cv_at(0.75,0.2)(0~bd) add(label.lft("bd:",A1);)
- cv_at(1,0.7)(0~wb_r) add(label.lft("wb_r:",A1);)
- cv_at(1,0.2)(0~wb) add(label.lft("wb:",A1);)
+ cvat(0.5,0.7)(0~wf_r) add(label.lft("wf_r:",A1);)
+ cvat(0.5,0.2)(0~wf) add(label.lft("wf:",A1);)
+ cvat(0.75,0.7)(0~bd_r) add(label.lft("bd_r:",A1);)
+ cvat(0.75,0.2)(0~bd) add(label.lft("bd:",A1);)
+ cvat(1,0.7)(0~wb_r) add(label.lft("wb_r:",A1);)
+ cvat(1,0.2)(0~wb) add(label.lft("wb:",A1);)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -646,9 +647,9 @@ endfigm
beginfigm
fsize:=(70mm,10mm);
msize:=(0.48,1);
- cv_at(0,0.5)(<30,!5,2:O,{3,4}:N)
+ cvat(0,0.5)(<30,!5,2:O,{3,4}:N)
sw_numbering:=Atom;
- cv_at(1,0.5)(<30,!5,2:O,{3,4}:N)
+ cvat(1,0.5)(<30,!5,2:O,{3,4}:N)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -664,10 +665,10 @@ endfigm
beginfigm
fsize:=(70mm,14mm);
fmargin:=(3mm,1.5mm);
- cv_at(0,.5)(?6,@4,\,|,?6,2:O)
+ cvat(0,.5)(?6,@4,\,|,?6,2:O)
sw_numbering:=Atom;
msize:=(1,.88);
- cv_at(1,.5)(?6,@4,\,|,?6,2:O)
+ cvat(1,.5)(?6,@4,\,|,?6,2:O)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -681,13 +682,12 @@ endfigm
%-----------------------------------------
\begin{mplibcode}
beginfigm
- cv(?6,@4,\,|,?6,||,2:N)
fsize:=(70mm,14mm);
fmargin:=(3mm,1.5mm);
- cv_at(0,.5)(?6,@4,\,|,?6,||,2:N)
+ cvat(0,.5)(?6,@4,\,|,?6,||,2:N)
sw_numbering:=Atom;
msize:=(1,.88);
- cv_at(1,.5)(?6,@4,\,|,?6,||,2:N)
+ cvat(1,.5)(?6,@4,\,|,?6,||,2:N)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -703,10 +703,10 @@ $2:N : change A$2 C to N **1<=n<=3095
beginfigm
fsize:=(70mm,14mm);
fmargin:=(3mm,1.5mm);
- cv_at(0,.5)(?6,@4,\,?6,$2:N)
+ cvat(0,.5)(?6,@4,\,?6,$2:N)
sw_numbering:=Atom;
msize:=(1,.88);
- cv_at(1,.5)(?6,@4,\,?6,$2:N)
+ cvat(1,.5)(?6,@4,\,?6,$2:N)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -721,10 +721,10 @@ endfigm
beginfigm
fsize:=(70mm,14mm);
fmargin:=(3mm,1.5mm);
- cv_at(0,.5)(?6,@4,\,?6,-2:N)
+ cvat(0,.5)(?6,@4,\,?6,-2:N)
sw_numbering:=Atom;
msize:=(1,.88);
- cv_at(1,.5)(?6,@4,\,?6,-2:N)
+ cvat(1,.5)(?6,@4,\,?6,-2:N)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -838,13 +838,13 @@ beginfigm
fmargin:=(2mm,2mm);
sw_numbering:=Bond;
msize:=(1,.9);
- cv_at( 0,.5)(<30,?6,{3,11--4}=?6,{11,4}=dt,{12:15}=bd_r)
+ cvat( 0,.5)(<30,?6,{3,11--4}=?6,{11,4}=dt,{12:15}=bd_r)
add(defaultscale:=0.4; label("(1)",p0);)
msize:=(1,.9);
- cv_at(.5,.5)(<30,?6,3=?6,{11--4}=?5,{11,4}=dt,{12:14}=bd_r)
+ cvat(.5,.5)(<30,?6,3=?6,{11--4}=?5,{11,4}=dt,{12:14}=bd_r)
add(defaultscale:=0.4; label("(2)",p0);)
msize:=(1,.9);
- cv_at( 1,.5)(<30,?6,3=?6,{11--4}=?4,{11,4}=dt,{12,13}=bd_r)
+ cvat( 1,.5)(<30,?6,3=?6,{11--4}=?4,{11,4}=dt,{12,13}=bd_r)
add(defaultscale:=0.4; label("(3)",p0);)
endfigm
\end{mplibcode}
@@ -867,9 +867,9 @@ beginfigm
fsize:=(60mm,20mm);
fmargin:=(2mm,2mm);
sw_numbering:=Bond;
- cv_at(0,1)(?6,{3,10}=?6,16---4=?6,{16,4}=dt,{17:19}=bd_r)
+ cvat(0,1)(?6,{3,10}=?6,16---4=?6,{16,4}=dt,{17:19}=bd_r)
add(defaultscale:=0.4; label("(1)",p0);)
- cv_at(1,0)(?6,{3,10}=?6,16---4=?5,{16,4}=dt,{17,18}=bd_r)
+ cvat(1,0)(?6,{3,10}=?6,16---4=?5,{16,4}=dt,{17,18}=bd_r)
add(defaultscale:=0.4; label("(2)",p0);)
endfigm
\end{mplibcode}
@@ -1304,9 +1304,9 @@ endfigm
\begin{verbatim}
mangle=0 ** default
-cv_at(0.2,0.5)(Ph)
+cvat(0.2,0.5)(Ph)
mangle:=30;
-cv_at(0.8,0.5)(Ph)
+cvat(0.8,0.5)(Ph)
\end{verbatim}
%-----------------------------------------
%% mangle
@@ -1315,10 +1315,10 @@ beginfigm
fsize:=(50mm,15mm);
blength:=6mm;
mangle:=0;
- cv_at(0.2,0.5)(Ph)
+ cvat(0.2,0.5)(Ph)
add(drawarrow((A1 shifted (aw,0)) rotated A1ang..A1);)
mangle:=30;
- cv_at(0.8,0.5)(Ph)
+ cvat(0.8,0.5)(Ph)
add(drawarrow((A1 shifted (aw,0)) rotated A1ang..A1);)
endfigm
\end{mplibcode}
@@ -1569,9 +1569,9 @@ default: offset_thickness=0.2pt
\begin{mplibcode}
beginfigm
fsize:=(60mm,12mm);
- offset_thickness:=0.0pt; cv_at(0.1,0.5)(<30,Ph)
- offset_thickness:=0.2pt; cv_at(0.55,0.5)(<30,Ph)
- offset_thickness:=0.5pt; cv_at(1,0.5)(<30,Ph)
+ offset_thickness:=0.0pt; cvat(0.1,0.5)(<30,Ph)
+ offset_thickness:=0.2pt; cvat(0.55,0.5)(<30,Ph)
+ offset_thickness:=0.5pt; cvat(1,0.5)(<30,Ph)
ext(defaultscale:=0.6; labeloffset:=1bp;
label.urt("0.0pt",(0,1bp));
label.urt("0.2pt",(0.36w,1bp));
@@ -1589,9 +1589,9 @@ default: offset_bond_gap=0.3pt
\begin{mplibcode}
beginfigm
fsize:=(60mm,12mm);
- offset_bond_gap:=0.0pt; cv_at(0.1, 0.5)(<30,Ph)
- offset_bond_gap:=0.3pt; cv_at(0.55,0.5)(<30,Ph) %<<== default
- offset_bond_gap:=1.0pt; cv_at(1, 0.5)(<30,Ph)
+ offset_bond_gap:=0.0pt; cvat(0.1, 0.5)(<30,Ph)
+ offset_bond_gap:=0.3pt; cvat(0.55,0.5)(<30,Ph) %<<== default
+ offset_bond_gap:=1.0pt; cvat(1, 0.5)(<30,Ph)
ext(defaultscale:=0.6; labeloffset:=1bp;
label.urt("0.0pt",(0,1bp));
label.urt("0.3pt",(0.36w,1bp));
@@ -1609,9 +1609,9 @@ default: offset_atom=0.8pt
\begin{mplibcode}
beginfigm
fsize:=(60mm,12mm);
- offset_atom:=0.0pt; cv_at(0.1, .5)(<30,?6,3:O)
- offset_atom:=0.8pt; cv_at(.55, .5)(<30,?6,3:O) %<<== default
- offset_atom:=2.0pt; cv_at(1, .5)(<30,?6,3:O)
+ offset_atom:=0.0pt; cvat(0.1, .5)(<30,?6,3:O)
+ offset_atom:=0.8pt; cvat(.55, .5)(<30,?6,3:O) %<<== default
+ offset_atom:=2.0pt; cvat(1, .5)(<30,?6,3:O)
ext(defaultscale:=0.6; labeloffset:=1bp;
label.urt("0.0pt",(0,1bp));
label.urt("0.8pt",(0.36w,1bp));
@@ -1629,9 +1629,9 @@ default: offset_wedge=0.4pt
\begin{mplibcode}
beginfigm
fsize:=(60mm,12mm);
- offset_wedge:=0.0pt; cv_at(0.1,0.5)(<30,?6,5:*/_)
- offset_wedge:=0.4pt; cv_at(0.55,0.5)(<30,?6,5:*/_) %<<== default
- offset_wedge:=1.0pt; cv_at(1, 0.5)(<30,?6,5:*/_)
+ offset_wedge:=0.0pt; cvat(0.1,0.5)(<30,?6,5:*/_)
+ offset_wedge:=0.4pt; cvat(0.55,0.5)(<30,?6,5:*/_) %<<== default
+ offset_wedge:=1.0pt; cvat(1, 0.5)(<30,?6,5:*/_)
ext(defaultscale:=0.6; labeloffset:=1bp;
label.urt("0.0pt",(0,1bp));
label.urt("0.4pt",(0.36w,1bp));
@@ -1650,9 +1650,9 @@ default: max_blength=10mm
beginfigm
fsize:=(60mm,20mm);
sw_frame:=sw_frame+Mol;
- max_blength:=5mm; cv_at(0, .5)(<30,Ph)
- max_blength:=8mm; cv_at(.4,.5)(<30,Ph)
- max_blength:=10mm; cv_at(1, .5)(<30,Ph) %<<== default
+ max_blength:=5mm; cvat(0, .5)(<30,Ph)
+ max_blength:=8mm; cvat(.4,.5)(<30,Ph)
+ max_blength:=10mm; cvat(1, .5)(<30,Ph) %<<== default
ext(defaultscale:=0.6; labeloffset:=1bp;
label("5mm", (0.1w,0.5h));
label("8mm", (0.42w,0.5h));
@@ -1672,9 +1672,9 @@ default: ratio_thickness_bond=0.015
\begin{mplibcode}
beginfigm
fsize:=(60mm,12mm);
- ratio_thickness_bond:=0.005; cv_at(0.1,0.5)(<30,Ph)
- ratio_thickness_bond:=0.015; cv_at(.55,0.5)(<30,Ph) %<<== default
- ratio_thickness_bond:=0.03; cv_at(1, 0.5)(<30,Ph)
+ ratio_thickness_bond:=0.005; cvat(0.1,0.5)(<30,Ph)
+ ratio_thickness_bond:=0.015; cvat(.55,0.5)(<30,Ph) %<<== default
+ ratio_thickness_bond:=0.03; cvat(1, 0.5)(<30,Ph)
ext(defaultscale:=0.6; labeloffset:=1bp;
label.urt("0.005",(0,1bp));
label.urt("0.015",(0.36w,1bp));
@@ -1692,9 +1692,9 @@ default: ratio_char_bond=1.5
\begin{mplibcode}
beginfigm
fsize:=(60mm,12mm);
- ratio_char_bond:=1.0; cv_at(0, .5)(<30,?6,6:O,3:NH)
- ratio_char_bond:=1.5; cv_at(.5, .5)(<30,?6,6:O,3:NH) %<<== default
- ratio_char_bond:=2.0; cv_at( 1, .5)(<30,?6,6:O,3:NH)
+ ratio_char_bond:=1.0; cvat(0, .5)(<30,?6,6:O,3:NH)
+ ratio_char_bond:=1.5; cvat(.5, .5)(<30,?6,6:O,3:NH) %<<== default
+ ratio_char_bond:=2.0; cvat( 1, .5)(<30,?6,6:O,3:NH)
ext(defaultscale:=0.6; labeloffset:=1bp;
label.urt("1.0",(0,1bp));
label.urt("1.5",(0.36w,1bp));
@@ -1712,9 +1712,9 @@ default: ratio_bondgap_bond= 0.15
\begin{mplibcode}
beginfigm
fsize:=(60mm,12mm);
- ratio_bondgap_bond:=0.10; cv_at(0.1, .5)(<30,Ph)
- ratio_bondgap_bond:=0.15; cv_at(.55, .5)(<30,Ph) %<<== default
- ratio_bondgap_bond:=0.20; cv_at(1 , .5)(<30,Ph)
+ ratio_bondgap_bond:=0.10; cvat(0.1, .5)(<30,Ph)
+ ratio_bondgap_bond:=0.15; cvat(.55, .5)(<30,Ph) %<<== default
+ ratio_bondgap_bond:=0.20; cvat(1 , .5)(<30,Ph)
ext(defaultscale:=0.6; labeloffset:=1bp;
label.urt("0.10",(0,1bp));
label.urt("0.15",(0.36w,1bp));
@@ -1732,9 +1732,9 @@ default: ratio_atom_bond= 0.36
\begin{mplibcode}
beginfigm
fsize:=(60mm,12mm);
- ratio_atom_bond:=0.25; cv_at(0.1, .5)(<30,?6,3:O)
- ratio_atom_bond:=0.33; cv_at(.55, .5)(<30,?6,3:O) %<<== default
- ratio_atom_bond:=0.45; cv_at(1, .5)(<30,?6,3:O)
+ ratio_atom_bond:=0.25; cvat(0.1, .5)(<30,?6,3:O)
+ ratio_atom_bond:=0.33; cvat(.55, .5)(<30,?6,3:O) %<<== default
+ ratio_atom_bond:=0.45; cvat(1, .5)(<30,?6,3:O)
ext(defaultscale:=0.6; labeloffset:=1bp;
label.urt("0.25",(0,1bp));
label.urt("0.33",(0.36w,1bp));
@@ -1752,9 +1752,9 @@ default: ratio_wedge_bond=0.12
\begin{mplibcode}
beginfigm
fsize:=(70mm,12mm);
- ratio_wedge_bond:=0.1; cv_at(0.05,.5)(?6,4:*/_)
- ratio_wedge_bond:=0.12; cv_at(.55, .5)(?6,4:*/_) %<<== default
- ratio_wedge_bond:=0.2; cv_at(1 , .5)(?6,4:*/_)
+ ratio_wedge_bond:=0.1; cvat(0.05,.5)(?6,4:*/_)
+ ratio_wedge_bond:=0.12; cvat(.55, .5)(?6,4:*/_) %<<== default
+ ratio_wedge_bond:=0.2; cvat(1 , .5)(?6,4:*/_)
ext(defaultscale:=0.6; labeloffset:=1bp;
label.urt("0.10",(0,1bp));
label.urt("0.12",(0.36w,1bp));
@@ -1775,9 +1775,9 @@ beginfigm
readm("<30,!2`0.5,2:O")
fsize:=(70mm,12mm);
sw_frame:=sw_frame+Atom;
- ratio_atomgap_atom:=0.00; cv_at(0, .5)(scantokens(mc))
- ratio_atomgap_atom:=0.050; cv_at(.5,.5)(scantokens(mc)) %<<== default
- ratio_atomgap_atom:=0.12; cv_at(1, .5)(scantokens(mc))
+ ratio_atomgap_atom:=0.00; cvat(0, .5)(scantokens(mc))
+ ratio_atomgap_atom:=0.050; cvat(.5,.5)(scantokens(mc)) %<<== default
+ ratio_atomgap_atom:=0.12; cvat(1, .5)(scantokens(mc))
ext(defaultscale:=0.75; labeloffset:=1bp;
label.urt("0.00",(0.05w,1bp));
label.urt("0.05",(0.45w,1bp));
@@ -1795,9 +1795,9 @@ default: ratio_chain_ring= 0.66
\begin{mplibcode}
beginfigm
fsize:=(70mm,12mm);
- ratio_chain_ring:= 0.4; cv_at(0.05,.5)(<30,?6,4:/!)
- ratio_chain_ring:= 0.66; cv_at(.45, .5)(<30,?6,4:/!) %<<== default
- ratio_chain_ring:= 1; cv_at(1, .5)(<30,?6,4:/!)
+ ratio_chain_ring:= 0.4; cvat(0.05,.5)(<30,?6,4:/!)
+ ratio_chain_ring:= 0.66; cvat(.45, .5)(<30,?6,4:/!) %<<== default
+ ratio_chain_ring:= 1; cvat(1, .5)(<30,?6,4:/!)
ext(defaultscale:=0.6; labeloffset:=1bp;
label.urt("0.40",(0,1bp));
label.urt("0.66",(0.3w,1bp));
@@ -1816,9 +1816,9 @@ default: ratio_hashgap_bond=0.12
beginfigm
readm("<30,!2,2:/*_`1.5")
fsize:=(70mm,15mm);
- ratio_hashgap_bond:=0.06; cv_at(0.08,.5)(scantokens(mc))
- ratio_hashgap_bond:=0.12; cv_at( .55,.5)(scantokens(mc)) %<<== default
- ratio_hashgap_bond:=0.20; cv_at(1, .5)(scantokens(mc))
+ ratio_hashgap_bond:=0.06; cvat(0.08,.5)(scantokens(mc))
+ ratio_hashgap_bond:=0.12; cvat( .55,.5)(scantokens(mc)) %<<== default
+ ratio_hashgap_bond:=0.20; cvat(1, .5)(scantokens(mc))
ext(defaultscale:=0.6; labeloffset:=1bp;
label.urt("0.06",(0,1bp));
label.urt("0.12",(0.4w,1bp));
@@ -1883,23 +1883,23 @@ endfigm
\begin{verbatim}
sw_trimming:=0; ** default
msize:=(1,0.7);
-cv_at(0.2,0.3)(Ph)
-cv_at(0.8,0.7)(Ph)
+cvat(0.2,0.3)(Ph)
+cvat(0.8,0.7)(Ph)
\end{verbatim}
%------------------------------------------------------
\begin{mplibcode}
beginfigm
fsize:=(60mm,20mm);
sw_frame:=Bothside+Mol;
- msize:=(1,.7); cv_at(.2,.3)(Ph)
- cv_at(.8,.7)(Ph)
+ msize:=(1,.7); cvat(.2,.3)(Ph)
+ cvat(.8,.7)(Ph)
endfigm
\end{mplibcode}
%------------------------------------------------------
\begin{verbatim}
sw_trimming:=1;
-cv_at(0.2,0.3)(Ph)
-cv_at(0.8,0.7)(Ph)
+cvat(0.2,0.3)(Ph)
+cvat(0.8,0.7)(Ph)
\end{verbatim}
%------------------------------------------------------
\begin{mplibcode}
@@ -1908,17 +1908,17 @@ beginfigm
sw_frame:=Bothside+Mol;
sw_trimming:=1;
msize:=(1,.7);
- cv_at(.2,.3)(Ph)
- cv_at(.8,.7)(Ph)
+ cvat(.2,.3)(Ph)
+ cvat(.8,.7)(Ph)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Expand mode}
\index{sw\_expand}%
\begin{verbatim}
-cv_at(0, .5)(<30,Ph,4:/COOH,3:/NH2)
+cvat(0, .5)(<30,Ph,4:/COOH,3:/NH2)
sw_expand:=1;
-cv_at(1, .5)(<30,Ph,4:/COOH,3:/NH2)
+cvat(1, .5)(<30,Ph,4:/COOH,3:/NH2)
** default: sw_expand=0
\end{verbatim}
%------------------------------------------------------
@@ -1926,9 +1926,9 @@ cv_at(1, .5)(<30,Ph,4:/COOH,3:/NH2)
beginfigm
readm("<30,Ph,4:/COOH,3:/NH2")
fsize:=(60mm,20mm);
- cv_at(0, .5)(scantokens(mc))
+ cvat(0, .5)(scantokens(mc))
sw_expand:=1;
- cv_at(1, .5)(scantokens(mc))
+ cvat(1, .5)(scantokens(mc))
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -1943,9 +1943,9 @@ endfigm
beginfigm
readm("<30,Ph,4:/Cl,3:/F")
fsize:=(60mm,12mm);
- cv_at(.15, .5)(scantokens(mc))
+ cvat(.15, .5)(scantokens(mc))
sw_abbreviate:=Group;
- cv_at(.85, .5)(scantokens(mc))
+ cvat(.85, .5)(scantokens(mc))
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -1960,9 +1960,9 @@ endfigm
beginfigm
readm("<30,Ph,4:/Cl,3:/F")
fsize:=(60mm,12mm);
- cv_at(.15, .5)(scantokens(mc))
+ cvat(.15, .5)(scantokens(mc))
sw_abbreviate:=Bond;
- cv_at(.85, .5)(scantokens(mc))
+ cvat(.85, .5)(scantokens(mc))
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -2120,7 +2120,7 @@ ratio_thickness_bond:=save_ratio;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\section{Command}
%-----------------------------------------------------------------------------
-\subsection{Command cv()}
+\subsection{cv()}
\index{cv()}%
\begin{verbatim}
(Draw molecule)
@@ -2147,74 +2147,41 @@ beginfigm
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
-\subsection{Command cv\_at()}
-\index{cv\_at()}%
+\subsection{cvat()}
+\index{cvat()}%
\begin{verbatim}
(Draw molecule at mposition)
+cvat(c,d)(....) :
+ mposition:=(c,d); cv(....)
+ c: x axis position / d: y axis position
-cv_at(c,d)(....) :
-
-mposition:=(c,d); cv(....)
-
-c: x axis position
-d: y axis position
-
-defaultsize:=5bp;
-fsize:=(60mm,40mm); fmargin:=(3mm,3mm);
-blength:=0.07; sw_frame:=Outside;
-mangle:=0;
-for i=1 step -0.5 until 0:
- for j=0 step 0.33 until 1:
- cv_at(j,i)(Ph,4:N)
- add(drawarrow((A1+A1up**aw)..A1);
- label(decimal(mangle),
- p0+(0.5w,0.5h));
- )
- mangle:=mangle+30;
- endfor
-endfor
-
+ cvat(0 ,0 )(?4)
+ cvat(0.5,0.5)(?5)
+ cvat(1 ,1 )(?6)
\end{verbatim}
%---------------------------------------------
\begin{mplibcode}
beginfigm
- defaultscale:=0.6;
- fsize:=(60mm,40mm);
- fmargin:=(3mm,3mm);
- blength:=0.07;
- sw_frame:=Outside;
- mangle:=0;
- for i=1 step -0.5 until 0:
- for j=0 step 0.33 until 1:
- cv_at(j,i)(Ph,4:N)
- add(
- drawarrow((A1+A1up**aw)..A1);
- label(decimal(mangle),p0+(0.5w,0.5h));
- )
- mangle:=mangle+30;
- endfor
- endfor
+ blength:=4mm;
+ fsize:=(60mm,12mm);
+ cvat(0 ,0 )(?4)
+ cvat(0.5,0.5)(?5)
+ cvat(1 ,1 )(?6)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
-\subsection{Command checkm()}
+\subsection{checkm()}
\index{checkm()}%
\begin{verbatim}
(immediately compile)
-
-beginfigm
- cv(<30,Ph,2:N)
-endfigm
+beginfigm cv(<30,Ph,2:N) endfigm
(check mcf and compile)
-
-** checkm(mc) : error count
-
beginfigm
readm("<30,Ph,}2:N") % ** extra '}'
- putm;
+ if checkm(mc)=0: cv(scantokens(mc)) fi
endfigm
-
+** checkm(mc) : error count
\end{verbatim}
%-----------------------------------------------------
\quad
@@ -2232,9 +2199,44 @@ beginfigm
putm;
endfigm
\end{mplibcode}
+%-----------------------------------------------------------------------------
+\subsection{getm()}
+\index{getm()}%
+\index{ucount}%
+\begin{verbatim}
+getm(number): number=numeric
+ucount: figure count
+
+for i=1 upto ucount:
+ beginfigm
+ getm(i); % get data unit no=i
+ putm; % put figure
+ endfigm
+endfor
+
+getm("name"): "name"=string
+
+loadm("EN<>*);
+beginfigm
+ getm("Adenine"); % get data EN="Adenine"
+ putm; % put figure
+endfigm
+\end{verbatim}
+\subsection{putm}
+\index{putm}%
+\begin{verbatim}
+putm: put figure
+
+ if op_row>=1: scantokens(op) fi
+ if mc_row>=1:
+ if checkm(mc)=0: cv(scantokens(mc)) fi
+ fi
+ if ad_row>=1: add(scantokens(ad)) fi
+ if ex_row>=1: ext(scantokens(ex)) fi
+\end{verbatim}
%===============================================================================
\newpage
-\subsection{Command add()}
+\subsection{add()}
\index{add()}%
\index{plus}%
\index{minus}%
@@ -2318,7 +2320,7 @@ beginfigm
sw_frame:=sw_frame+Atom+Mol;
max_blength:=10mm;
msize:=(.91,.9);
- cv_at(.5,.85)(<30,?6,{2,5}:O)
+ cvat(.5,.85)(<30,?6,{2,5}:O)
add(
defaultscale:=.8;
labeloffset:=.3aw;
@@ -2351,7 +2353,7 @@ beginfigm
sw_frame:=sw_frame+Atom+Mol;
max_blength:=10mm;
msize:=(.91,.9);
- cv_at(.5,.85)(<30,?6,{2,5}:O)
+ cvat(.5,.85)(<30,?6,{2,5}:O)
add(
defaultscale:=.8;
labeloffset:=.3aw;
@@ -2383,7 +2385,7 @@ beginfigm
fsize:=(60mm,20mm);
msize:=(1,0.85);
%---------------------------------------
- cv_at(0,0)(<30,Ph,3=dl,4:/NH2)
+ cvat(0,0)(<30,Ph,3=dl,4:/NH2)
%---------------------------------------
add(
labeloffset:=.7aw;
@@ -2395,7 +2397,7 @@ beginfigm
B3m..A3+B2up**1.5aw..{A3down}A3;
)
%---------------------------------------
- cv_at(1,0)(<30,?6,{1,5}=dl,4://NH2)
+ cvat(1,0)(<30,?6,{1,5}=dl,4://NH2)
%---------------------------------------
add(
labeloffset:=.7aw;
@@ -2414,7 +2416,7 @@ beginfigm
fsize:=(70mm,20mm);
msize:=(1,0.85);
%-------------------------------------------
- cv_at(0,0)(<30,Ph,3=dl,4:/NH2)
+ cvat(0,0)(<30,Ph,3=dl,4:/NH2)
%-------------------------------------------
add(labeloffset:=.7aw;
label.top(lonepair 90,A7);
@@ -2422,7 +2424,7 @@ beginfigm
drawarrow B3m..A3+B2up**1.5aw..{A3down}A3;
)
%-------------------------------------------
- cv_at(1,0)(<30,?6,{1,5}=dl,4://NH2)
+ cvat(1,0)(<30,?6,{1,5}=dl,4://NH2)
%-------------------------------------------
add(labeloffset:=.7aw;
label.top(plus,A7);
@@ -2434,7 +2436,7 @@ endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
\newpage
-\subsection{Command ext()}
+\subsection{ext()}
\index{ext()}%
\index{w0}%
\index{h0}%
@@ -2466,7 +2468,7 @@ beginfigm
fsize:=(70mm,30mm;);
blength:=0.065;
%---------------------------------------
- cv_at(0.1,0.5)(
+ cvat(0.1,0.5)(
<-210,60`1,60`1,60`1,{1,3}=dl,
1:/R1,4:/R2^-60
)
@@ -2474,12 +2476,12 @@ beginfigm
defaultscale:=0.6;
label.bot("Diene",p0+(0.5w,0));
)
- cv_at(0.4,0.5)(
+ cvat(0.4,0.5)(
<-30,-60`1,1=dl,1:/R3,2:/R4^60)
add(defaultscale:=0.6;
label.bot("Dienophile",p0+(.5w,0));
)
- cv_at(0.9,0.5)(
+ cvat(0.9,0.5)(
<30,?6,6=dl,2:/R2,3:/R4,4:/R3,5:/R1
)
%---------------------------------------
@@ -2500,7 +2502,7 @@ beginfigm
fsize:=(70mm,30mm);
blength:=0.065;
%---------------------------------------
- cv_at(0.1,0.5)(
+ cvat(0.1,0.5)(
<-210,60`1,60`1,60`1,{1,3}=dl,
1:/R1,4:/R2^-60
)
@@ -2508,12 +2510,12 @@ beginfigm
defaultscale:=0.6;
label.bot("Diene",p0+(0.5w,0));
)
- cv_at(0.4,0.5)(
+ cvat(0.4,0.5)(
<-30,-60`1,1=dl,1:/R3,2:/R4^60)
add(defaultscale:=0.6;
label.bot("Dienophile",p0+(.5w,0));
)
- cv_at(0.9,0.5)(
+ cvat(0.9,0.5)(
<30,?6,6=dl,2:/R2,3:/R4,4:/R3,5:/R1
)
%---------------------------------------
@@ -2532,19 +2534,23 @@ endfigm
\subsubsection{Local ext() setting}
\begin{verbatim}
beginfigm
- EN:="?3"; cv_at(0.5,1)(<30,?3)
+ EN:="?3";
+ cvat(0.5,1)(<30,?3)
endfigm
beginfigm
- EN:="?4"; cv_at(0.5,1)(?4)
+ EN:="?4";
+ cvat(0.5,1)(?4)
%-------------------------------
ext(label.top(EN,(0.5w,0));)
%-------------------------------
endfigm
beginfigm
- EN:="?5"; cv_at(0.5,1)(?5)
+ EN:="?5";
+ cvat(0.5,1)(?5)
endfigm
beginfigm
- EN:="?6"; cv_at(0.5,1)(?6)
+ EN:="?6";
+ cvat(0.5,1)(?6)
endfigm
\end{verbatim}
%----------------------------------------------------
@@ -2553,12 +2559,12 @@ endfigm
beginfigm
fsize:=(12mm,15mm);
EN:="?3";
- cv_at(0.5,1)(<30,?3)
+ cvat(0.5,1)(<30,?3)
endfigm
beginfigm
fsize:=(12mm,15mm);
EN:="?4";
- cv_at(0.5,1)(?4)
+ cvat(0.5,1)(?4)
%-------------------------------
ext(label.top(EN,(0.5w,0));)
%-------------------------------
@@ -2566,12 +2572,12 @@ endfigm
beginfigm
fsize:=(12mm,15mm);
EN:="?5";
- cv_at(0.5,1)(?5)
+ cvat(0.5,1)(?5)
endfigm
beginfigm
fsize:=(12mm,15mm);
EN:="?6";
- cv_at(0.5,1)(?6)
+ cvat(0.5,1)(?6)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -2581,22 +2587,26 @@ endfigm
ext_clear: reset global ext()
beginfigm
- EN:="?3"; cv_at(0.5,1)(<30,?3)
+ EN:="?3";
+ cvat(0.5,1)(<30,?3)
endfigm
%-------------------------------
ext(label.top(EN,(0.5w,0));)
%-------------------------------
beginfigm
- EN:="?4"; cv_at(0.5,1)(?4)
+ EN:="?4";
+ cvat(0.5,1)(?4)
endfigm
beginfigm
- EN:="?5"; cv_at(0.5,1)(?5)
+ EN:="?5";
+ cvat(0.5,1)(?5)
endfigm
%---------
ext_clear;
%---------
beginfigm
- EN:="?6"; cv_at(0.5,1)(?6)
+ EN:="?6";
+ cvat(0.5,1)(?6)
endfigm
\end{verbatim}
%-------------------------------------
@@ -2605,7 +2615,7 @@ endfigm
beginfigm
fsize:=(12mm,15mm);
EN:="?3";
- cv_at(0.5,1)(<30,?3)
+ cvat(0.5,1)(<30,?3)
endfigm
%-------------------------------
ext(label.top(EN,(0.5w,0));)
@@ -2613,12 +2623,12 @@ ext(label.top(EN,(0.5w,0));)
beginfigm
fsize:=(12mm,15mm);
EN:="?4";
- cv_at(0.5,1)(?4)
+ cvat(0.5,1)(?4)
endfigm
beginfigm
EN:="?5";
fsize:=(12mm,15mm);
- cv_at(0.5,1)(?5)
+ cvat(0.5,1)(?5)
endfigm
%---------
ext_clear;
@@ -2626,22 +2636,10 @@ ext_clear;
beginfigm
fsize:=(12mm,15mm);
EN:="?6";
- cv_at(0.5,1)(?6)
+ cvat(0.5,1)(?6)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
-\subsubsection{Command getm()}
-\index{getm()}%
-\begin{verbatim}
-loadm(): load library data
-
-getm(number): get data when no=number
- * number=numeric
-getm("name"): get data when EN="name"
- * "name"=string
-
-\end{verbatim}
-%-----------------------------------------------------------------------------
\newpage
%-----------------------------------------------------------------------------
\onecolumn
@@ -2673,7 +2671,7 @@ beginfigm
"<30,Ph,{1,2,6}:/O!,{-4,-5}=?7, ",
" {-1,-4,-6}=dl,-2://O,-3:/O!, ",
" @9,\,NH,!,//O,! ")
- fsize:=(50mm,20mm);
+ fsize:=(40mm,20mm);
putm;
endfigm
\end{verbatim}
@@ -2685,7 +2683,7 @@ beginfigm
"<30,Ph,{1,2,6}:/O!,{-4,-5}=?7, ",
" {-1,-4,-6}=dl,-2://O,-3:/O!, ",
" @9,\,NH,!,//O,! ")
- fsize:=(50mm,20mm);
+ fsize:=(40mm,20mm);
putm;
endfigm
\end{mplibcode}
@@ -2729,15 +2727,11 @@ beginfigm
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\newpage
\paragraph{(Erythromycin)}
-\noindent%
-%----------------------------------------------------------------------------
-%%%% EN:Erythromycin MW:733.93
\begin{verbatim}
beginfigm
- fsize:=(120mm,30mm);
+ EN:="Erythromycin"; MW:="733.93";
+ fsize:=(60mm,30mm); mposition:=(1,0.5);
readm(
%-----------------------------------------------------------------------
"<30,#1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,##,&1, ",
@@ -2749,6 +2743,7 @@ beginfigm
%-----------------------------------------------------------------------
putm;
ext(defaultscale:=0.8;
+ label.lrt("EN: "&EN,(0,h));
label.lrt("fm: "&fm,(0,h-5mm));
label.lrt("mw: "&mw,(0,h-9mm));
label.lrt("MW: "&MW,(0,h-13mm));
@@ -2759,7 +2754,8 @@ endfigm;
%%%% EN:Erythromycin MW:733.93
\begin{mplibcode}
beginfigm
- fsize:=(120mm,30mm);
+ EN:="Erythromycin"; MW:="733.93";
+ fsize:=(60mm,30mm); mposition:=(1,0.5);
readm(
%-----------------------------------------------------------------------
"<30,#1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,##,&1, ",
@@ -2771,6 +2767,7 @@ beginfigm
%-----------------------------------------------------------------------
putm;
ext(defaultscale:=0.8;
+ label.lrt("EN: "&EN,(0,h));
label.lrt("fm: "&fm,(0,h-5mm));
label.lrt("mw: "&mw,(0,h-9mm));
label.lrt("MW: "&MW,(0,h-13mm));)
@@ -2791,11 +2788,11 @@ beginfigm
%------------------------------------------------------------------
fsize:=(140mm,30mm);
if checkm(mc)=0:
- cv_at(0,0.5)(scantokens(mc))
+ cvat(0,0.5)(scantokens(mc))
sw_numbering:=Atom;
- cv_at(0.6,0.5)(scantokens(mc))
+ cvat(0.6,0.5)(scantokens(mc))
sw_numbering:=Bond;
- cv_at(1,0.5)(scantokens(mc))
+ cvat(1,0.5)(scantokens(mc))
fi
endfigm
\end{verbatim}
@@ -2811,12 +2808,82 @@ beginfigm
" @7,\*,O,-45,//O,60,Ph,11:*/OCO!>rl,12:/*OCO!^-15>lr ")
%-------------------------------------------------------------------
fsize:=(160mm,40mm);
- if checkm(mc)=0: cv_at(0, 0.5)(scantokens(mc))
- sw_numbering:=Atom; cv_at(0.5,0.5)(scantokens(mc))
- sw_numbering:=Bond; cv_at(1, 0.5)(scantokens(mc))
+ if checkm(mc)=0: cvat(0, 0.5)(scantokens(mc))
+ sw_numbering:=Atom; cvat(0.5,0.5)(scantokens(mc))
+ sw_numbering:=Bond; cvat(1, 0.5)(scantokens(mc))
fi
endfigm
\end{mplibcode}
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\noindent%
+\newpage
+\subsection{loadm() example}
+\index{sw\_comment}%
+\index{loadm()}%
+\paragraph{(Example)}
+\begin{verbatim}
+loadm("CAT=biological","MW>=285","MW<=288","a:EN");
+\end{verbatim}
+%---------------------------------------------------------------
+\paragraph{(output)}
+\begin{verbatim}
+* jobname=mcf_exa_soc
+* numbersystem=double
+* output report file
+* file name=mcf_exa_soc-report.txt)
+* mcf_template 2023.05.07
+* Input : main_lib.mcf [525]
+* Output : ucount [4]
+* Filter(1): CAT =biological
+* Filter(2): MW >= 285
+* Filter(3): MW <= 288
+* Sort key : EN (ascending)
+[1]:Luteolin
+[2]:Lycorine
+[3]:Morphine
+[4]:Piperine )
+
+row[1][1]="CAT:biological;EN:Luteolin;MW:286.24;EXA:-"
+row[1][2]=":"
+row[1][3]="<30,Ph,3=?6,9=dl,10:O,7://O,@9,\,Ph,{2,6,14,15}:/OH"
+row[1][4]=";"
+row[2][1]="CAT:biological;EN:Lycorine;MW:287.315;EXA:1"
+row[2][2]=":"
+row[2][3]="<30,Ph,{-4,-2}=?6,{6,9--12}=?5,13=dl,8:N,{15,17}:O,"
+row[2][4]="{9'^180,10^60}:*/H,{13,14'}:*/OH"
+row[2][5]=";"
+row[3][1]="CAT:biological;EN:Morphine;MW:285.343;EXA:1"
+row[3][2]=":"
+row[3][3]="<30,Ph,{2,-4}=?6,1---12=?5,-1:O,-1=zb,"
+row[3][4]="@7,60~wf`0.75,70~si_`1.3,45,N!,&9~wb,15=dl,6:/OH,8^180:*/H,12:/*OH"
+row[3][5]=";"
+row[4][1]="CAT:biological;EN:Piperine;MW:285.343;EXA:1"
+row[4][2]=":"
+row[4][3]="<30,Ph,-1=?5,{-1,-3}:O,@4,\,!!,!,!!,!,//O,!,?6,-6:N"
+row[4][4]=";"
+\end{verbatim}
+%------------------------------------------------------------------------------
+\paragraph{(sw\_comment)}
+\begin{verbatim}
+sw_comment=1:
+
+row[1][1]="%------------------------------------------------------------------"
+row[1][2]="CAT:biological;EN:Luteolin;MW:286.24;EXA:-"
+row[1][3]=":"
+row[1][4]="<30,Ph,3=?6,9=dl,10:O,7://O,@9,\,Ph,{2,6,14,15}:/OH"
+row[1][5]=";"
+
+** default sw_comment=0
+\end{verbatim}
+\paragraph{(Tag)}
+\begin{verbatim}
+J : jobname CAT : category
+EN : english name JN : japanese name
+FM : formula from data MW : molecular weight from data
+MI : monoisotopic mass from data USE : the use
+\end{verbatim}
+\newpage
+\noindent%
%----------------------------------------------------------------------------
\newpage
\subsection{getm() example}
@@ -2826,7 +2893,7 @@ endfigm
beginfigm
getm("Chlorophyll a");
sw_output:=Fig+Calc+Mcode;
- fsize:=(100mm,30mm);
+ fsize:=(80mm,30mm);
cv(scantokens(mc))
VerbatimTeX("\gdef\EN{"&EN&"}\gdef\MW{"&MW&"}");
VerbatimTeX("\gdef\mw{"&mw&"}\gdef\fm{"&fm&"}");
@@ -2840,7 +2907,7 @@ endfigm
beginfigm
getm("Chlorophyll a");
sw_output:=Fig+Calc+Mcode;
- fsize:=(100mm,30mm);
+ fsize:=(80mm,30mm);
cv(scantokens(mc))
VerbatimTeX("\gdef\EN{"&EN&"}\gdef\MW{"&MW&"}");
VerbatimTeX("\gdef\mw{"&mw&"}\gdef\fm{"&fm&"}");
@@ -2857,7 +2924,7 @@ beginfigm
readm(",38:*/_,65=red") %%%% add methyl group (color red) %%%%
sw_output:=Fig+Calc+Mcode; %%%% output temp-mc.aux %%%%
EN:="Dinophysistoxin-1"; MW:="819";
- fsize:=(120mm,20mm);
+ fsize:=(90mm,20mm);
if checkm(mc)=0: cv(scantokens(mc))
VerbatimTeX("\gdef\EN{"&EN&"}\gdef\MW{"&MW&"}");
VerbatimTeX("\gdef\mw{"&mw&"}\gdef\fm{"&fm&"}");
@@ -2874,7 +2941,7 @@ beginfigm
readm(",38:*/_,65=red") %%%% add methyl group (color red) %%%%
sw_output:=Fig+Calc+Mcode; %%%% output temp-mc.aux %%%%
EN:="Dinophysistoxin-1"; MW:="819";
- fsize:=(120mm,20mm);
+ fsize:=(90mm,20mm);
if checkm(mc)=0: cv(scantokens(mc))
VerbatimTeX("\gdef\EN{"&EN&"}\gdef\MW{"&MW&"}");
VerbatimTeX("\gdef\mw{"&mw&"}\gdef\fm{"&fm&"}");
@@ -2925,9 +2992,8 @@ endfigm;
%--------------------------------------------------------------------------------
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\newpage
-\subsection{cv\_at() example}
+\subsection{cvat() example}
\noindent%
-(TCA cycle)\\
\begin{mplibcode}
beginfigm
fsize:=(160mm,75mm);
@@ -2935,16 +3001,16 @@ max_blength:=5mm;
%--------------------------------------------------------------------------------
COOH:='(//O,!,OH);
HOCO:='(OH,!,//O,);
-cv_at(0.33, 1)(<30,HOCO,!,//O,!2,COOH) % Oxaloacetate
-cv_at(0.66, 1)(<30,HOCO,!4,COOH,@-4`1,\,COOH,4:/OH^-165) % Citrate
-cv_at(1, 1)(<30,HOCO,!2,!~dr,!,COOH,@-4`1,\,COOH) % cis-Aconitate
-cv_at(1, 0.58)(<30,HOCO,!4,COOH,@-4,\`1,COOH,5:/OH) % Isocitrate
-cv_at(1, 0.05)(<30,HOCO,!3,//O,!,COOH,@-4,\`1,COOH) % Oxalosuccinate
-cv_at(0.66,0.05)(<30,HOCO,!3,//O,!,COOH) % alfa-Ketoglutarate
-cv_at(0.33,0.05)(<30,HOCO,!3,//O,!,"{S-CoA}") % Succinyl-CoA
-cv_at(0, 0.05)(<30,HOCO,!3,COOH) % Succinate
-cv_at(0, 0.55)(<30,HOCO,!,!~dr,!,COOH) % Fumarate
-cv_at(0, 1)(<30,HOCO,!3,COOH,3:/OH) % L-Malate
+cvat(0.33, 1)(<30,HOCO,!,//O,!2,COOH) % Oxaloacetate
+cvat(0.66, 1)(<30,HOCO,!4,COOH,@-4`1,\,COOH,4:/OH^-165) % Citrate
+cvat(1, 1)(<30,HOCO,!2,!~dr,!,COOH,@-4`1,\,COOH) % cis-Aconitate
+cvat(1, 0.58)(<30,HOCO,!4,COOH,@-4,\`1,COOH,5:/OH) % Isocitrate
+cvat(1, 0.05)(<30,HOCO,!3,//O,!,COOH,@-4,\`1,COOH) % Oxalosuccinate
+cvat(0.66,0.05)(<30,HOCO,!3,//O,!,COOH) % alfa-Ketoglutarate
+cvat(0.33,0.05)(<30,HOCO,!3,//O,!,"{S-CoA}") % Succinyl-CoA
+cvat(0, 0.05)(<30,HOCO,!3,COOH) % Succinate
+cvat(0, 0.55)(<30,HOCO,!,!~dr,!,COOH) % Fumarate
+cvat(0, 1)(<30,HOCO,!3,COOH,3:/OH) % L-Malate
%--------------------------------------------------------------------------------
ext(
defaultfont:="uhvr8r"; defaultscale:=0.75;
@@ -3001,39 +3067,39 @@ beginfigm
fsize:=(160mm,75mm);
max_blength:=5mm;
COOH:='(//O,!,OH); HOCO:='(OH,!,//O,);
-cv_at(0.33, 1)(<30,HOCO,!,//O,!2,COOH) % Oxaloacetate
-cv_at(0.66, 1)(<30,HOCO,!4,COOH,@-4`1,\,COOH,4:/OH^-165) % Citrate
-cv_at(1, 1)(<30,HOCO,!2,!~dr,!,COOH,@-4`1,\,COOH) % cis-Aconitate
-cv_at(1, 0.58)(<30,HOCO,!4,COOH,@-4,\`1,COOH,5:/OH) % Isocitrate
-cv_at(1, 0.05)(<30,HOCO,!3,//O,!,COOH,@-4,\`1,COOH) % Oxalosuccinate
-cv_at(0.66,0.05)(<30,HOCO,!3,//O,!,COOH) % alfa-Ketoglutarate
-cv_at(0.33,0.05)(<30,HOCO,!3,//O,!,"{S-CoA}") % Succinyl-CoA
-cv_at(0, 0.05)(<30,HOCO,!3,COOH) % Succinate
-cv_at(0, 0.55)(<30,HOCO,!,!~dr,!,COOH) % Fumarate
-cv_at(0, 1)(<30,HOCO,!3,COOH,3:/OH) % L-Malate
+cvat(0.33, 1)(<30,HOCO,!,//O,!2,COOH) % Oxaloacetate
+cvat(0.66, 1)(<30,HOCO,!4,COOH,@-4`1,\,COOH,4:/OH^-165) % Citrate
+cvat(1, 1)(<30,HOCO,!2,!~dr,!,COOH,@-4`1,\,COOH) % cis-Aconitate
+cvat(1, 0.58)(<30,HOCO,!4,COOH,@-4,\`1,COOH,5:/OH) % Isocitrate
+cvat(1, 0.05)(<30,HOCO,!3,//O,!,COOH,@-4,\`1,COOH) % Oxalosuccinate
+cvat(0.66,0.05)(<30,HOCO,!3,//O,!,COOH) % alfa-Ketoglutarate
+cvat(0.33,0.05)(<30,HOCO,!3,//O,!,"{S-CoA}") % Succinyl-CoA
+cvat(0, 0.05)(<30,HOCO,!3,COOH) % Succinate
+cvat(0, 0.55)(<30,HOCO,!,!~dr,!,COOH) % Fumarate
+cvat(0, 1)(<30,HOCO,!3,COOH,3:/OH) % L-Malate
ext(
-defaultfont:="uhvr8r"; defaultscale:=0.75;
-ext_setup;
-save dx; pair dx; dx:=(12mm,0);
-label.bot("Oxaloacetate",p1+dx); label.bot("Citrate",p2+dx);
-label.bot("cis-Aconitate",p3+dx); label.bot("Isocitrate",p4+dx);
-label.bot("Oxalosuccinate",p5+dx); label.bot("alfa-Ketoglutarate",p6+dx);
-label.bot("Succinyl-CoA",p7+dx); label.bot("Succinate",p8+dx);
-label.bot("Fumarate",p9+dx); label.bot("L-Malate",p10+dx);
-sw_label_emu:=1;
-ext_setup;
-r_arrow(10mm)( 0)(p1+ ( 1.1w1, 0.3h1))("Acetyl-CoA",1.5)(" CoA-SH",1);
-r_arrow(10mm)( 0)(p2+ ( 1.1w2, 0.4h2))("",0)("H2O",1);
-r_arrow( 8mm)(270)(p3+ ( 0.5w3,-0.4h3))("H2O",1)("",0);
-r_arrow( 8mm)(270)(p4+ ( 0.5w4,-0.4h4))("NAD+",1)("NADH2+",1);
-r_arrow(10mm)(180)(p5+ (-0.1w5, 0.4h5))("",0)("CO_2_",1);
-r_arrow(10mm)(180)(p6+ (-0.1w6, 0.5h6))("NAD+,CoA-SH",1.7)("NADH2+,CO2",1);
-r_arrow(10mm)(180)(p7+ (-0.1w7, 0.5h7))("GDP,Pi",1.7)("GTP,CoA-SH",1);
-r_arrow( 8mm)( 90)(p8+ ( 0.4w8, 1.2h8))("FAD",1)("FADH2",1);
-r_arrow( 8mm)( 90)(p9+ ( 0.4w9, 1.2h9))("H2O",1)("",0);
-r_arrow(10mm)( 0)(p10+( 1.1w10,0.3h10))("NAD+",1)("NADH2+",1.5);
-defaultscale:=1.5;
-label("TCA-cycle",(0.5w,0.5h));
+ defaultfont:="uhvr8r"; defaultscale:=0.75;
+ ext_setup;
+ save dx; pair dx; dx:=(12mm,0);
+ label.bot("Oxaloacetate",p1+dx); label.bot("Citrate",p2+dx);
+ label.bot("cis-Aconitate",p3+dx); label.bot("Isocitrate",p4+dx);
+ label.bot("Oxalosuccinate",p5+dx); label.bot("alfa-Ketoglutarate",p6+dx);
+ label.bot("Succinyl-CoA",p7+dx); label.bot("Succinate",p8+dx);
+ label.bot("Fumarate",p9+dx); label.bot("L-Malate",p10+dx);
+ sw_label_emu:=1;
+ ext_setup;
+ r_arrow(10mm)( 0)(p1+ ( 1.1w1, 0.3h1))("Acetyl-CoA",1.5)(" CoA-SH",1);
+ r_arrow(10mm)( 0)(p2+ ( 1.1w2, 0.4h2))("",0)("H2O",1);
+ r_arrow( 8mm)(270)(p3+ ( 0.5w3,-0.4h3))("H2O",1)("",0);
+ r_arrow( 8mm)(270)(p4+ ( 0.5w4,-0.4h4))("NAD+",1)("NADH2+",1);
+ r_arrow(10mm)(180)(p5+ (-0.1w5, 0.4h5))("",0)("CO_2_",1);
+ r_arrow(10mm)(180)(p6+ (-0.1w6, 0.5h6))("NAD+,CoA-SH",1.7)("NADH2+,CO2",1);
+ r_arrow(10mm)(180)(p7+ (-0.1w7, 0.5h7))("GDP,Pi",1.7)("GTP,CoA-SH",1);
+ r_arrow( 8mm)( 90)(p8+ ( 0.4w8, 1.2h8))("FAD",1)("FADH2",1);
+ r_arrow( 8mm)( 90)(p9+ ( 0.4w9, 1.2h9))("H2O",1)("",0);
+ r_arrow(10mm)( 0)(p10+( 1.1w10,0.3h10))("NAD+",1)("NADH2+",1.5);
+ defaultscale:=1.5;
+ label("TCA-cycle",(0.5w,0.5h));
)
endfigm
\end{verbatim}
@@ -3042,12 +3108,11 @@ endfigm
\subsection{MetaPost souce file}
\index{mcf2graph.mp}%
\index{sw\_output}%
-\index{loadm()}%
\index{cv()}%
\index{plus}%
\index{getm()}%
\index{putm}%
-\index{unitcount}%
+\index{ucount}%
\begin{verbatim}
%------------------------------------------------------------------------------
input mcf2graph; > input main macro
@@ -3087,7 +3152,7 @@ beginfigm
putm; > put figure
endfigm >
%------------------------------------------------------------------------------
-for i=1 upto unitcount: > unit count
+for i=1 upto ucount: > figure count
beginfigm
getm(i); > select No.i
putm; > put figure
@@ -3095,12 +3160,6 @@ for i=1 upto unitcount: > unit count
endfor
%------------------------------------------------------------------------------
bye
-
-** putm:
- if op_row>=1: scantokens(op) fi
- if mc_row>=1: if checkm(mc)=0: cv(scantokens(mc)) fi fi
- if ad_row>=1: add(scantokens(ad)) fi
- if ex_row>=1: ext(scantokens(ex)) fi
\end{verbatim}
%------------------------------------------------------------------------
\noindent%
@@ -3165,73 +3224,6 @@ CAT:biological;EN:Glycine;MW:75.07;EXA:-
;
%------------------------------------------------------------------------------
\end{verbatim}
-%------------------------------------------------------------------------------
-\noindent%
-\newpage
-\subsection{Command loadm()}
-\index{sw\_comment}%
-\paragraph{(Example)}
-\begin{verbatim}
-loadm("CAT=biological","MW>=285","MW<=288","a:EN");
-\end{verbatim}
-%---------------------------------------------------------------
-\paragraph{(output)}
-\begin{verbatim}
-* jobname=mcf_exa_soc
-* numbersystem=double
-* output report file
-* file name=mcf_exa_soc-report.txt)
-* mcf_template 2023.05.07
-* Input : main_lib.mcf [525]
-* Output : unitcount [4]
-* Filter(1): CAT =biological
-* Filter(2): MW >= 285
-* Filter(3): MW <= 288
-* Sort key : EN (ascending)
-[1]:Luteolin
-[2]:Lycorine
-[3]:Morphine
-[4]:Piperine )
-
-row[1][1]="CAT:biological;EN:Luteolin;MW:286.24;EXA:-"
-row[1][2]=":"
-row[1][3]="<30,Ph,3=?6,9=dl,10:O,7://O,@9,\,Ph,{2,6,14,15}:/OH"
-row[1][4]=";"
-row[2][1]="CAT:biological;EN:Lycorine;MW:287.315;EXA:1"
-row[2][2]=":"
-row[2][3]="<30,Ph,{-4,-2}=?6,{6,9--12}=?5,13=dl,8:N,{15,17}:O,"
-row[2][4]="{9'^180,10^60}:*/H,{13,14'}:*/OH"
-row[2][5]=";"
-row[3][1]="CAT:biological;EN:Morphine;MW:285.343;EXA:1"
-row[3][2]=":"
-row[3][3]="<30,Ph,{2,-4}=?6,1---12=?5,-1:O,-1=zb,"
-row[3][4]="@7,60~wf`0.75,70~si_`1.3,45,N!,&9~wb,15=dl,6:/OH,8^180:*/H,12:/*OH"
-row[3][5]=";"
-row[4][1]CAT:biological;EN:Piperine;MW:285.343;EXA:1
-row[4][2]:
-row[4][3]<30,Ph,-1=?5,{-1,-3}:O,@4,\,!!,!,!!,!,//O,!,?6,-6:N
-row[4][4];
-\end{verbatim}
-%------------------------------------------------------------------------------
-\paragraph{(sw\_comment)}
-\begin{verbatim}
-sw_comment=1:
-
-row[1][1]="%------------------------------------------------------------------"
-row[1][2]="CAT:biological;EN:Luteolin;MW:286.24;EXA:-"
-row[1][3]=":"
-row[1][4]="<30,Ph,3=?6,9=dl,10:O,7://O,@9,\,Ph,{2,6,14,15}:/OH"
-row[1][5]=";"
-
-** default sw_comment=0
-\end{verbatim}
-\paragraph{(Tag)}
-\begin{verbatim}
-J : jobname CAT : category
-EN : english name JN : japanese name
-FM : formula from data MW : molecular weight from data
-MI : monoisotopic mass from data USE : the use
-\end{verbatim}
%------------------------------------------------------------------------
\noindent%
\newpage
diff --git a/graphics/mcf2graph/template_lib.mcf b/graphics/mcf2graph/template_lib.mcf
index 211f44a22e..e06f4a9a72 100644
--- a/graphics/mcf2graph/template_lib.mcf
+++ b/graphics/mcf2graph/template_lib.mcf
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf template file mcf_template.mcf by Akira Yamaji 2023.05.07
+% mcf template file mcf_template.mcf by Akira Yamaji 2023.05.15
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% tag1:var1;tag2:var2;tag3:var3 .....
% first character of line "%" comment out
diff --git a/graphics/mcf2graph/template_soc.mp b/graphics/mcf2graph/template_soc.mp
index 811d1beebd..0c05bf332d 100644
--- a/graphics/mcf2graph/template_soc.mp
+++ b/graphics/mcf2graph/template_soc.mp
@@ -1,8 +1,8 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% MCF compile template file by Akira Yamaji 2023.05.07
+% MCF compile template file by Akira Yamaji 2023.05.15
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-if unknown mcftograph: input mcf2graph; fi %%% it must be version 5.00
-message "* mcf_template 2023.05.07";
+if unknown mcftograph: input mcf2graph; fi %%% it must be version 5.01
+message "* mcf_template 2023.05.15";
message "";
%------------------------------------------------------------------------------
%%%%ext(defaultscale:=.3; label.rt(EN,(0,0));)
@@ -14,7 +14,7 @@ sw_output:=Fig+Calc;
%------------------------------------------------------------------------------
loadm("f:temp");
%------------------------------------------------------------------------------
-for i=1 upto unitcount:
+for i=1 upto ucount:
beginfigm
getm(i);
putm;