summaryrefslogtreecommitdiff
path: root/graphics
diff options
context:
space:
mode:
authorNorbert Preining <norbert@preining.info>2021-03-22 03:01:03 +0000
committerNorbert Preining <norbert@preining.info>2021-03-22 03:01:03 +0000
commit159aa77bf48b6a49ba55e9105f19191dce9f7862 (patch)
tree04d572f80936b9de73c104392120db705c399220 /graphics
parent86a0e007d01f87228d2363faf90a2a3b65cf758f (diff)
CTAN sync 202103220301
Diffstat (limited to 'graphics')
-rw-r--r--graphics/mcf2graph/CHANGELOG11
-rw-r--r--graphics/mcf2graph/README38
-rw-r--r--graphics/mcf2graph/mcf2graph.mf167
-rw-r--r--graphics/mcf2graph/mcf_exa_soc.mf314
-rw-r--r--graphics/mcf2graph/mcf_example.pdfbin324217 -> 324068 bytes
-rw-r--r--graphics/mcf2graph/mcf_example.tex28
-rw-r--r--graphics/mcf2graph/mcf_man_soc.mf316
-rw-r--r--graphics/mcf2graph/mcf_manual.pdfbin350539 -> 373233 bytes
-rw-r--r--graphics/mcf2graph/mcf_manual.tex288
-rw-r--r--graphics/mcf2graph/mcf_mplib_exa.pdfbin202590 -> 193908 bytes
-rw-r--r--graphics/mcf2graph/mcf_mplib_exa.tex136
11 files changed, 700 insertions, 598 deletions
diff --git a/graphics/mcf2graph/CHANGELOG b/graphics/mcf2graph/CHANGELOG
index 8bfc7deb2b..00fd0afbf1 100644
--- a/graphics/mcf2graph/CHANGELOG
+++ b/graphics/mcf2graph/CHANGELOG
@@ -1,6 +1,15 @@
*******************************************************************************
- Changelog of mcf2graph software package by Akira Yamaji 2021-03-07
+ Changelog of mcf2graph software package by Akira Yamaji 2021-03-21
*******************************************************************************
+[ver. 4.61 / 2021-03-21]
+ -change syntax
+ @.$n => @$n
+ &.$n => &$n
+ -change function name
+ check_mc() => check()
+ -improve function check()
+ -update MCF manual,example
+
[ver. 4.60 / 2021-03-07]
-$n (0<=n<360) can use as absolute angle
-change option parameter name
diff --git a/graphics/mcf2graph/README b/graphics/mcf2graph/README
index b5a428c088..e819003b60 100644
--- a/graphics/mcf2graph/README
+++ b/graphics/mcf2graph/README
@@ -1,7 +1,7 @@
********************************************************************************
mcf2graph : Convert Molecular Coding Format to graphics with METAFONT/METAPOST
Author : Akira Yamaji
- version : 4.60 2021-03-07
+ version : 4.61 2021-03-21
E-mail : mcf2graph@gmail.com
Located at : http://www.ctan.org/pkg/mcf2graph
********************************************************************************
@@ -15,20 +15,28 @@
It is also able to calculate molecular weight, exact mass, molecular formula.
2. The distribution of software
- ( 1) README This file
- ( 2) CHANGELOG Changelog file of mcf2graph
- ( 3) mcf2graph.mf Macro of Metafont / Metapost
- ( 4) mcf_setup.sty Style file for aux file input
- ( 5) mcf_manual.tex MCF syntax manual(LaTeX file)
- ( 6) mcf_man_soc.mf Molecular difinition file for mcf_manual.tex
- ( 7) mcf_manual.pdf PDF of (4) (used pdftex(LaTeX),makeindex)
- ( 8) mcf_example.tex LaTeX example,
- make file 'mcf_exa_soc-info.aux' before typeset
- >mpost -s ahlength=1 mcf_exa_soc.mf
- ( 9) mcf_exa_soc.mf Molecular difinition file for mcf_example.tex
- (10) mcf_example.pdf PDF of (8) typeset with pdftex(LaTeX)
- (11) mcf_mplib_exa.tex luamplib(LuaLaTeX) example
- (12) mcf_mplib_exa.pdf PDF of (11) typeset with LuaTeX(LaTeX)
+ ( 1) README This file
+ ( 2) CHANGELOG Changelog file of mcf2graph
+ ( 3) mcf2graph.mf Macro of Metafont / Metapost
+ ( 4) mcf_setup.sty Style file for aux file input
+ ( 5) mcf_manual.tex MCF syntax manual(LaTeX file)
+ use pk font for proof print
+ use mps file for final print
+ make file 'mcf_man_soc-***.mps' before typeset
+ >mpost -s mcf_man_soc.mf
+ ( 6) mcf_man_soc.mf Molecular difinition file for mcf_manual.tex
+ ( 7) mcf_manual.pdf PDF of (4) (used pdftex(LaTeX),makeindex)
+ ( 8) mcf_example.tex LaTeX example,
+ make file 'mcf_exa_soc-info.aux' before typeset
+ >mpost -s ahlength=1 mcf_exa_soc.mf
+ use pk font for proof print
+ use mps file for final print
+ make file 'mcf_exa_soc-***.mps' before typeset
+ >mpost -s mcf_exa_soc.mf
+ ( 9) mcf_exa_soc.mf Molecular difinition file for mcf_example.tex
+ (10) mcf_example.pdf PDF of (8) typeset with pdftex(LaTeX)
+ (11) mcf_mplib_exa.tex luamplib(LuaLaTeX) example
+ (12) mcf_mplib_exa.pdf PDF of (11) typeset with LuaTeX(LaTeX)
3. How to use mcf2graph with Metapost
Minimum requirement to run mcf2graph : mpost.exe,mpost.dll,mpost.mp,plain.mp
diff --git a/graphics/mcf2graph/mcf2graph.mf b/graphics/mcf2graph/mcf2graph.mf
index cdffa5932c..350a3e973c 100644
--- a/graphics/mcf2graph/mcf2graph.mf
+++ b/graphics/mcf2graph/mcf2graph.mf
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 4.60 Copyright (c) 2013-2021 Akira Yamaji
+% mcf2graph ver 4.61 Copyright (c) 2013-2021 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,
@@ -37,7 +37,7 @@
% Set to use plain.mp (label,arrow,atom) : mpost -s labeloffset=2 FILENAME
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
tracingstats:=1;
-message "* This is mcf2graph ver 4.60 2021.03.07";
+message "* This is mcf2graph ver 4.61 2021.03.21";
%-------------------------------------------------------------------------------------------------
newinternal cntA,cntB,cntM,minX,minY,maxX,maxY,sftX,sftY,com,par,envT,envB,lenT,lineT,angT,rotT,
crR,nA,nB,nC,nD,nE,nF,nS,nL,nR,nU,nP,xpos,ypos,markA,markB,saveA,saveB,bondL;
@@ -68,7 +68,8 @@ a_prn_s:=ASCII("("); a_prn_e:=ASCII(")"); a_brc_s:=ASCII("{"); a_brc_e:=ASCII("}
a_brk_s:=ASCII("["); a_brk_e:=ASCII("]"); a_cmm:=ASCII(","); a_equ:=ASCII("=");
a_ast:=ASCII("*"); a_sls:=ASCII("/"); a_gtn:=ASCII("<"); a_ltn:=ASCII(">"); a_and:=ASCII("&");
a_dol:=ASCII("$"); a_hsh:=ASCII("#"); a_hat:=ASCII("^"); a_tld:=ASCII("~"); a_bqt:=ASCII("`");
-a_cln:=ASCII(":"); a_amk:=ASCII("@"); a_zero:=ASCII("0"); a_nine:=ASCII("9");
+a_cln:=ASCII(":"); a_amk:=ASCII("@"); a_zero:=ASCII("0"); a_nine:=ASCII("9"); a_qut:=ASCII("'");
+a_bar:=ASCII("|");
%--------------------------------------------------------------------------------------------------
let DIV= /; let MUL= *; let LT= <; let GT= >; let AND= &; let :: = : ; let == = =; let ef=elseif;
def ]]]=] ] ] enddef;
@@ -277,7 +278,7 @@ def beginfont(text s)=
%------------------------------------------------------------------------------------------------
char_num:=char_num+1;
store_par(parameter_list);
- f_ext:=cntM:=mc_low:=inf_num:=0;
+ f_ext:=cntM:=mc_row:=inf_num:=0;
for list=s: inf_num:=inf_num+1; info[inf_num]:=list; mc[inf_num]:=""; endfor
%------------------------------------------------------------------------------------------------
for j=1 upto inf_num:
@@ -287,10 +288,10 @@ def beginfont(text s)=
if at_colon=1:
s_fw:=0; for k=2 upto s_len: if subc(k,info[j])<>" ": s_fw:=k; fi exitif s_fw>0; endfor
s_bw:=0; for k=s_len downto 2: if subc(k,info[j])<>" ": s_bw:=k; fi exitif s_bw>0; endfor
- mc_low:=mc_low+1;
- mc_indent[mc_low]:=s_fw-2;
- mc[mc_low]:=substring (s_fw-1,s_bw) of info[j];
- mc:=mc&mc[mc_low];
+ mc_row:=mc_row+1;
+ mc_indent[mc_row]:=s_fw-2;
+ mc[mc_row]:=substring (s_fw-1,s_bw) of info[j];
+ mc:=mc&mc[mc_row];
ef at_colon>=1:
s_tag:=substring (0,at_colon-1) of info[j];
s_var:=substring (at_colon,s_len) of info[j];
@@ -356,15 +357,15 @@ def endfont=
enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
def set_def_MC=
- save /,//,/*,*/,**,*/*,~,^,',`,<,>,&,:,=,\,\\,*\,\*,*\*,@,@@,$,&,#,##,{,},|,||,_,inside_def_MC;
+ save /,//,/*,*/,**,*/*,~,^,',`,<,>,:,=,\,\\,*\,\*,*\*,@,@$,$,&,&$,#,##,{,},|,||,_,inside_def_MC;
inside_def_MC:=1;
pair |,||,##;
| :=(_com,_mark); || := (_com,_moff); ##:=(_com,_len_e);
_:=Me; \:=0; \\:=zero_dm; *\:=zero_wf; \*:=zero_zf; *\*:=zero_wv;
let = ==op_equ; let : ==op_col; let ^ ==op_hat; let ~ ==op_til; let > ==op_lt; let ` ==op_bq;
- def { == read_number( enddef; let } == ); def '==read_id enddef;
+ def @$ == @.$ enddef; def { == read_number( enddef; let } == ); def '==read_id enddef;
def < == rot_angle enddef; def @ == jump_atom enddef; def & == cyc_atom enddef;
- def # == chg_length enddef; def $ == abs_adress enddef;
+ def # == chg_length enddef; def $ == abs_adress enddef; def &$ == &.$ enddef;
def / == group_si enddef; def // == group_dm enddef; def */ == group_wf enddef;
def /* == group_zf enddef; def */* == group_wv enddef; def ** == group_nb enddef;
enddef;
@@ -1578,17 +1579,20 @@ def proc_report_out=
out_file_name:=out_file_rep;
printf "===========================================================================";
printf " No."&fdr(4)(char_num)&" / Name = "& inf_EN;
- if mc_low>=1:
+ if mc_row>=1:
printf "---------------------------------------------------------------------------";
- for i=1 upto mc_low:
+ for i=1 upto mc_row:
printf (substring(0,mc_indent[i]) of blank_str)&mc[i];
endfor
printf "---------------------------------------------------------------------------";
- printf " mc-length="&fdr(4)(length(mc))&" / mc-low="&fdr(3)(mc_low)&
- " / mc-commands="&fdr(3)(cmm_cnt);
+ printf " row="&fdr(3)(mc_row)&" / length="&fdr(4)(length(mc))&
+ " / commands="&fdr(3)(cnt_cmm);
+ printf " {}=X ="&fdr(3)(cnt_chg_bonds)&" / {}:X ="&fdr(3)(cnt_chg_atoms)&
+ " / '() ="&fdr(3)(cnt_inline_def)&" / @ ="&fdr(3)(cnt_at)&
+ " / & ="&fdr(3)(cnt_and)&" / < ="&fdr(3)(cnt_gtn);
fi
printf "---------------------------------------------------------------------------";
- printf " Warnings = "&fdr(3)(warning_cnt)&" / Command count= "&decimal(cntD[0]);
+ printf " Warnings = "&fdr(3)(warning_cnt)&" / Code= "&decimal(cntD[0]);
printf " Width * Height = " & fdr(10)(mol_wd)&" * "&fdr(10)(mol_ht);
printf " Shift width * height = "& fdr(10)(minX)&" * "&fdr(10)(minY);
printf " Bond length = "&fdr(3)(blen)&" Atom size = "&fdr(3)(atom_wd);
@@ -1799,87 +1803,106 @@ def expand_set=
!SH:='(!,SH); !NO2:='(!,NO2);
enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-vardef check_mc(expr s)=
+vardef check(expr s)=
save mc_char,mc_char,temp_c,err_cnt,char_cnt,f_depth,
- a_prn_s_cnt,a_prn_e_cnt,a_brc_s_cnt,a_brc_e_cnt,a_brk_s_cnt,a_brk_e_cnt;
- f_depth:=cmm_cnt:=0;;
+ cnt_prn_s,cnt_prn_e,cnt_brc_s,cnt_brc_e,cnt_brk_s,cnt_brk_e;
string temp_c,err_str[],err_type[];
numeric mc_char[],err_adr[],err_code[];
- err_cnt:=char_cnt:=code_cnt:=0;
+ err_cnt:=char_cnt:=code_cnt:=f_depth:=cnt_cmm:=cnt_chg_atoms:=cnt_chg_bonds:=0;
+ err_type[0]:="no mc-row ";
err_type[1]:=" '(' > ')' "; err_type[2]:=" '(' < ')' ";
err_type[3]:=" '{' > '}' "; err_type[4]:=" '{' < '}' ";
err_type[5]:=" '[' > ']' "; err_type[6]:=" '[' < ']' ";
err_type[7]:="missing arg"; err_type[8]:="extra arg ";
- %-----------------------------------------------------------------------------------------------
+ %---------------------------------------------------------------------------------------------
+ if mc_row>=1:
+ %---------------------------------------------------------------------------------------------
for i=1 upto length(s):
temp_c:=subc(i,s); if temp_c<>" ": char_cnt:=char_cnt+1; mc_char[char_cnt]:=ASCII(temp_c); fi
endfor
mc_char[0]:=mc_char[char_cnt+1]:=mc_char[char_cnt+2]:=a_cmm;
- %-- argument missing chkeck --------------------------------------------------------------------
- a_prn_s_cnt:=a_prn_e_cnt:=a_brc_s_cnt:=a_brc_e_cnt:=a_brk_s_cnt:=a_brk_e_cnt:=0;
- nA:=f_depth:=cmm_cnt:=0;
+ %-- argument missing chkeck ----------------------------------------------------------------
+ cnt_prn_s:=cnt_prn_e:=cnt_brc_s:=cnt_brc_e:=cnt_brk_s:=cnt_brk_e:=cnt_inline_def:=cnt_at:=0;
+ cnt_cmm:=cnt_and:=cnt_gtn:=cnt_gtn:=0;
+ nA:=f_depth:=0;
forever:
nA:=nA+1; nB:=mc_char[nA-1]; nC:=mc_char[nA]; nD:=mc_char[nA+1];
- %---------------------------------------------------------------------------------------------
- if nC=a_cmm: if f_depth=0: cmm_cnt:=cmm_cnt+1; cmm_adr[cmm_cnt]:=nA; fi
+ %-----------------------------------------------------------------------------------------
+ if nC=a_cmm: if f_depth=0: cnt_cmm:=cnt_cmm+1; cmm_adr[cnt_cmm]:=nA; fi
ef nC=a_ast:
if nD=a_sls:
- if mc_char[nA+2]=a_ast: if mc_char[nA+3]=a_cmm: proc_error(7,nA) nA:=nA+2; fi % */* x
- ef mc_char[nA+2]=a_cmm: proc_error(7,nA) nA:=nA+1; fi % */ x
- ef nD=a_ast: if mc_char[nA+2]=a_cmm: proc_error(7,nA) nA:=nA+1; fi fi % ** x
- ef nC=a_sls: if nD=a_sls: if mc_char[nA+2]=a_cmm: proc_error(7,nA) nA:=nA+1; fi % // x
- ef nD=a_ast: if mc_char[nA+2]=a_cmm: proc_error(7,nA) nA:=nA+1; fi % /* x
- ef nD=a_cmm: proc_error(7,nA) fi % / x
- ef nC=a_hsh: if nD=a_hsh: nA:=nA+1; % ##
- ef nD=a_cmm: proc_error(7,nA) fi % # x
- if nB<>a_cmm: proc_error(8,nA) fi % a #
- ef nC=a_dol: if nD=a_cmm: proc_error(7,nA) fi % $ x
- ef nC=a_equ: if nD= a_cmm: proc_error(7,nA) fi % = x
- if nB= a_cmm: proc_error(7,nA) fi % x =
- ef nC=a_cln: if nD= a_cmm: proc_error(7,nA) fi % : x
- if nB= a_cmm: proc_error(7,nA) fi % x :
- ef nC=a_amk: if nD= a_cmm: proc_error(7,nA) fi % @ x
- if nB<>a_cmm: proc_error(8,nA) fi % a @
- ef nC=a_and: if nD= a_cmm: proc_error(7,nA) fi % & x
- if nB<>a_cmm: proc_error(8,nA) fi % a &
- ef nC=a_gtn: if nD= a_cmm: proc_error(7,nA) fi % < x
- if nB<>a_cmm: proc_error(8,nA) fi % a <
- ef nC=a_ltn: if nD= a_cmm: proc_error(7,nA) fi % > x
- if nB= a_cmm: proc_error(7,nA) fi % x >
- ef nC=a_tld: if nD= a_cmm: proc_error(7,nA) fi % ~ x
- if nB= a_cmm: proc_error(7,nA) fi % x ~
- ef nC=a_hat: if nD= a_cmm: proc_error(7,nA) fi % ^ x
- if nB= a_cmm: proc_error(7,nA) fi % x ^
- ef nC=a_bqt: if nD= a_cmm: proc_error(7,nA) fi % ` x
- if nB= a_cmm: proc_error(7,nA) fi % x `
- %---------------------------------------------------------------------------------
- ef nC=a_prn_s: a_prn_s_cnt:=a_prn_s_cnt+1; f_depth:=1;
- ef nC=a_prn_e: a_prn_e_cnt:=a_prn_e_cnt+1; f_depth:=0;
- ef nC=a_brc_s: a_brc_s_cnt:=a_brc_s_cnt+1; f_depth:=1;
- ef nC=a_brc_e: a_brc_e_cnt:=a_brc_e_cnt+1; f_depth:=0;
- ef nC=a_brk_s: a_brk_s_cnt:=a_brk_s_cnt+1; f_depth:=1;
- ef nC=a_brk_e: a_brk_e_cnt:=a_brk_e_cnt+1; f_depth:=0;
- %---------------------------------------------------------------------------------
+ if mc_char[nA+2]=a_ast: if mc_char[nA+3]=a_cmm: proc_err(7,nA) nA:=nA+2; fi % */* x
+ ef mc_char[nA+2]=a_cmm: proc_err(7,nA) nA:=nA+1; fi % */ x
+ ef nD=a_ast: if mc_char[nA+2]=a_cmm: proc_err(7,nA) nA:=nA+1; fi fi % ** x
+ ef nC=a_sls: if nD=a_sls: if mc_char[nA+2]=a_cmm: proc_err(7,nA) nA:=nA+1; fi % // x
+ ef nD=a_ast: if mc_char[nA+2]=a_cmm: proc_err(7,nA) nA:=nA+1; fi % /* x
+ ef nD=a_cmm: proc_err(7,nA) fi % / x
+ ef nC=a_hsh: if nD=a_hsh: nA:=nA+1; % ##
+ ef nD=a_cmm: proc_err(7,nA) fi % # x
+ if nB<>a_cmm: proc_err(8,nA) fi % a #
+ ef nC=a_dol: if nD=a_cmm: proc_err(7,nA) fi % $ x
+ ef nC=a_equ: if nD= a_cmm: proc_err(7,nA) fi % = x
+ if nB= a_cmm: proc_err(7,nA) fi % x =
+ ef nC=a_cln: if nD= a_cmm: proc_err(7,nA) fi % : x
+ if nB= a_cmm: proc_err(7,nA) fi % x :
+ ef nC=a_amk: cnt_at:=cnt_at+1;
+ if nD= a_cmm: proc_err(7,nA) fi % @ x
+ if nB<>a_cmm: proc_err(8,nA) fi % a @
+ ef nC=a_and: cnt_and:=cnt_and+1;
+ if nD= a_cmm: proc_err(7,nA) fi % & x
+ if nB<>a_cmm: proc_err(8,nA) fi % a &
+ ef nC=a_gtn: cnt_gtn:=cnt_gtn+1;
+ if nD= a_cmm: proc_err(7,nA) fi % < x
+ if nB<>a_cmm: proc_err(8,nA) fi % a <
+ ef nC=a_ltn: if nD= a_cmm: proc_err(7,nA) fi % > x
+ if nB= a_cmm: proc_err(7,nA) fi % x >
+ ef nC=a_tld: if nD= a_cmm: proc_err(7,nA) fi % ~ x
+ if nB= a_cmm: proc_err(7,nA) fi % x ~
+ ef nC=a_hat: if nD= a_cmm: proc_err(7,nA) fi % ^ x
+ if nB= a_cmm: proc_err(7,nA) fi % x ^
+ ef nC=a_bqt: if nD= a_cmm: proc_err(7,nA) fi % ` x
+ if nB= a_cmm: proc_err(7,nA) fi % x `
+ ef nC=a_bar: if nD= a_bar:
+ if mc_char[nA+2]=a_bar: nA:=nA+1; % ||
+ ef mc_char[nA+2]<>a_cmm: proc_err(8,nA) % | a
+ fi
+ if nB<>a_cmm: proc_err(8,nA) fi % a |
+ fi
+ %------------------------------------------------------------------------------------------
+ ef nC=a_prn_s: cnt_prn_s:=cnt_prn_s+1; f_depth:=1;
+ if nB=a_qut: cnt_inline_def:=cnt_inline_def+1; fi
+ ef nC=a_prn_e: cnt_prn_e:=cnt_prn_e+1; f_depth:=0;
+ ef nC=a_brc_s: cnt_brc_s:=cnt_brc_s+1; f_depth:=1;
+ ef nC=a_brc_e: cnt_brc_e:=cnt_brc_e+1; f_depth:=0;
+ if nD=a_cln: cnt_chg_atoms:=cnt_chg_atoms+1;
+ ef nD=a_equ: cnt_chg_bonds:=cnt_chg_bonds+1;
+ fi
+ ef nC=a_brk_s: cnt_brk_s:=cnt_brk_s+1; f_depth:=1;
+ ef nC=a_brk_e: cnt_brk_e:=cnt_brk_e+1; f_depth:=0;
+ %-------------------------------------------------------------------------------------------
fi
exitif nA>=char_cnt+1;
endfor
- %-- brackets balance check ---------------------------------------------------------------------
- if a_prn_s_cnt>a_prn_e_cnt: proc_error(1,0) ef a_prn_s_cnt<a_prn_e_cnt: proc_error(2,0) fi
- if a_brc_s_cnt>a_brc_e_cnt: proc_error(3,0) ef a_brc_s_cnt<a_brc_e_cnt: proc_error(4,0) fi
- if a_brk_s_cnt>a_brk_e_cnt: proc_error(5,0) ef a_brk_s_cnt<a_brk_e_cnt: proc_error(6,0) fi
- %-----------------------------------------------------------------------------------------------
+ %-- brackets balance check -------------------------------------------------------------------
+ if cnt_prn_s>cnt_prn_e: proc_err(1,0) ef cnt_prn_s<cnt_prn_e: proc_err(2,0) fi
+ if cnt_brc_s>cnt_brc_e: proc_err(3,0) ef cnt_brc_s<cnt_brc_e: proc_err(4,0) fi
+ if cnt_brk_s>cnt_brk_e: proc_err(5,0) ef cnt_brk_s<cnt_brk_e: proc_err(6,0) fi
+ %---------------------------------------------------------------------------------------------
+ else:
+ proc_err(0,0)
+ fi
+ %---------------------------------------------------------------------------------------------
for i=1 upto err_cnt:
message "*"&fdr(3)(i)&" "&err_type[err_code[i]]&fdr(4)(err_adr[i])&" '"&err_str[i]&"'";
endfor
-%%%%%% readstring;
+%%%%%%% if (f_MP=1)and(err_cnt>0): readstring; fi
err_cnt
enddef;
%-------------------------------------------------------------------------------------------------
-def proc_error(expr ERR_CODE,ADR)=
- err_cnt:=err_cnt+1; err_adr[err_cnt]:=ADR;
- err_code[err_cnt]:=ERR_CODE;
+def proc_err(expr ERR_CODE,ADR)=
+ err_cnt:=err_cnt+1; err_adr[err_cnt]:=ADR; err_code[err_cnt]:=ERR_CODE;
if ERR_CODE<=6: err_str[err_cnt]:=" ";
- else: err_str[err_cnt]:=substring (ADR-3,ADR+2) of mc;
+ else: err_str[err_cnt]:=substring (ADR-3,ADR+2) of mc;
fi
enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
diff --git a/graphics/mcf2graph/mcf_exa_soc.mf b/graphics/mcf2graph/mcf_exa_soc.mf
index 1d60bc062f..428c86c6ed 100644
--- a/graphics/mcf2graph/mcf_exa_soc.mf
+++ b/graphics/mcf2graph/mcf_exa_soc.mf
@@ -1,8 +1,8 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2021.03.07
+% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2021.03.21
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf; %%% it must be version 4.60
-message "* mcf_exa_soc 2021.03.07";
+input mcf2graph.mf; %%% it must be version 4.61
+message "* mcf_exa_soc 2021.03.21";
message "";
%------------------------------------------------------------------------------
fsize:=(35mm,24mm);
@@ -31,515 +31,515 @@ tag1:="F"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW";
%------------------------------------------------------------------------------
%%%% ext(defaultfont:="uhvr8r"; defaultscale:=.3; label.lrt(mc,(-2bp,1.5bp));)
%******************************************************************************
-beginfont("EN:Adenine","MW:135.13",
+beginfont("EN:Adenine","MW:135.13","FM:C5H5N5",
": <30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Guanine","MW:151.13",
": <30,?6,3=?5,{1,3,9}=dl,{2,9}:N,{6,7}:NH,5://O,1:/NH2")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Cytosine","MW:111.10",
": <30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Thymine","MW:126.11",
": <30,?6,3=dl,{2,6}:NH,{1,5}://O,4:/_")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Uracil","MW:112.09",
": <30,?6,6=dl,{3,5}://O,{2,4}:NH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Geraniol","MW:154.25",
": <30,!8,OH,{2,6}=dr,{2,6}:/_")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Limonene","MW:136.24",
": <30,?6,2=dl,2:/_,@5,*\,/_,!!")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:l-Menthol","MW:156.27",
": <30,?6,2:/*?!,5:*/_,3:*/OH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Vanillin","MW:152.15",
": <30,Ph,2:/OH,3:/O!,5:/CHO")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Allicin","MW:162.28",
": <-30,!!,!2,SO,!,S,!2,!!")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Stearic acid","MW:284.48",
": <30,!17,COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Linoleic acid","MW:280.45",
": <30,!5,-30,-30,!,-30,-30,!7,COOH,{6,9}=dr")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Sphingosine","MW:299.50",
": <30,!18,OH,14=dr,-3:*/OH,-2:/*NH2")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Tocopherol","MW:430.717",
": <30,Ph,3=?6,7:O,{1,2,5}:/_,8:/*_^60,6:/OH,@8,\,|,!12,{4,8}:/*_,12:/_")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Carotene","MW:536.8726",
": <30,?6,4=dl,3:??,5:/_, ",
": @4,\,|,!18,{1,3,5,7,9,11,13,15,17}=dr,{3,7,12,16}:/_, ",
": ?6,-6=dl,-5:/_,-1:?? ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Adrenalin","MW:183.21",
": <30,Ph,{1,6}:/OH,@4,\,*/OH,!2,NH,!")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Caffeine","MW:194.194",
": <30,?6,3=dl,{1,5}://O,-4=?5,-3=dl,7:N,{2,6,9}:N!")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Nicotine","MW:162.23",
": <30,Ph,2:N,@4,\,?5,8:N!")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont;
%******************************************************************************
beginfont("EN:Capsaicin","MW:305.418",
": <30,Ph,1:/OH,6:/O!,@4,\,!,NH,!,//O,!7,?!,-3=dl")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Thiamine","MW:300.81",
": <30,Ph,4:/NH2,@3,\`1,!,<-12,?5,{-1,-4}=dl,{1,5,8}:N,11:S,{6,9}:/_, ",
": @-3,\,!2,OH,8:p_^72,@(6.7,1.5),Cl,n_^15 ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Gibberellin A3","MW:346.379",
": <18,?5,3=?7,5=?6[12],@8,160`1.3,&3,13=dl,6=wf,8=wb, ",
": @5,40~zf`1,O,50,//O^180,&14~zb, ",
": 2:/COOH,7://_,13:*/OH,8:/*OH,14:*/_,{1,4}:*/H^60 ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont;
%******************************************************************************
beginfont("EN:Cholesterol","MW:386.664",
": <30,?6,{-4,-2}=?6,-4=?5,7=dl, ",
": 1:*/OH,{4,12}:*/_^60, ",
": 10:/*H^180,{11,-1}:/*H^-60,9:*/H^60,@-1,17,/*_,!4,?! ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Riboflavin","MW:376.37",
": <30,Ph,3=?6,9=?6,{8,16}=dl,{7,10,14}:N,12:NH,{11,13}://O,{1,6}:/_, ",
": @10,\`1.2,!,*/OH,!,/*OH,!,*/OH,!2,OH ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Resveratrol","MW:228.24",
": <30,Ph,@4,\,!!,!,Ph,{2,6,-3}:/OH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Glutathione","MW:307.33",
": <-30,COOH,!,/*NH2,!3,//O,!,NH,!,*/!SH,!,//O,!,NH,!2,COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Hexaphenylbenzene","MW:534.6876",
": <30,Ph,{1,2,3,4,5,6}:/Ph")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Kekulene","MW:600.7",
": <30,Ph,{3,-2,-3,-2,-3,-2,-3,-2,-3,-2}=?6,(-3,6)=?6[3],@-4,&6, ",
": {8,12,14,16,18,22,24,26,28,32,34,36,38,42,44,46,48,52,54,56,58}=dl")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:18-Crown-6","MW:264.32",
": <-180,O,60,60,60,O,-60,60,60,O,-60,60,60, ",
": O,-60,60,60,O,-60,60,60,O,-60,60,&1 ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Porphyrin","MW:310.4",
": <9,#1,?5,@3,\,54,?5,@-2,\,54,?5,@-2,\,54,?5,@-2,\,&5,##, ",
": {1,4,6,8,10,14,16,18,21,23,27}=dl,{4,17}:N,{11,23}:NH ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Sulflower","MW:448.69",
": <67.5,?8,{1,3,5,7}=?5,@11,30`1.15,&12,@14,30`1.15,&15, ",
": @17,30`1.15,&18,@20,30`1.15,&9,{9,12,13,16,17,20,21,24}=dl, ",
": {10,13,16,19,21,22,23,24}:S ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Arsphenamine x5","MW:915.2",
": <18,?5,{1,2,3,4,5}:As,{1,2,3,4,5}:/'(Ph,3:/NH2,4:/OH)")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Melamine","MW:126.12",
": <30,Ph,{2,4,6}:N,{1,3,5}:/NH2")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Sudan red 1","MW:248.28",
": <30,Ph,1=Ph,4:/OH,@3,\,N,!!,N,!,Ph")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Basic blue 1","MW:319.86",
": <30,Ph,3=Ph,6=Ph,2:S,5:N,{8,13}:/N?!,2:p_, ",
": @(4.2,1.5),Cl,n_^15 ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Disperse violet 1","MW:238.25",
": <30,Ph,3=?6,-3=dr,9=Ph,{7,10}://O,{-1,-4}:/NH2")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Vat blue 1","MW:262.27",
": <30,Ph,3=?5,@8,\\,?5,-3=dr,-3=Ph,{7,14}:NH,{9,11}://O")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Atrazine","MW:215.7",
": <30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2,3:/NH!?!")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:BHC","MW:290.83",
": <30,?6`1.2,{1,3,4,6}:*/Cl,{2,5}:/*Cl")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:pp-DDT","MW:354.49",
": <30,Ph,6:/Cl,@3,\,/CCl3,!,Ph,-3:/Cl")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Endrin","MW:380.91",
": <30,?6`1.3,3=?6,6=dl,9=?3,-1:O, ",
": @2,210~wf`1.5,&5~wb,@7,210~zf`1.5,&10~zb, ",
": {1,2,5,6,12^-210,12^-150}:/Cl ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Acrinathrin","MW:541.45",
": <-30,?3,2^-35:*/_,2^35:/*_, ",
": @1,\,!~dl,!,//O,!,O,!,/CF3,!,CF3,@3,\,//O,!,O,!,/CN,!,Ph, ",
": @-4,\,O,-60,Ph ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Cafenstrole","MW:350.4",
": <30,Ph,{2,4,6}:/_,@3,\,SOO,!,|,?5,{2,5}=dl,{2,4,5}:N,@-2,\,//O,!,N,/!,!2 ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Carfentrazone-ethyl","MW:412.19",
": <30,Ph,4:/F,6:/Cl,@1,\,!,/Cl,!,//O,!,O,!2, ",
": @3,\,|,?5,4=dl,{1,3,5}:N,-4://O,-3:/CF2,-2:/_ ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Carboxin","MW:235.301",
": <30,?6,3=dl,2:S,5:O,4:/_,@3,\,//O,!,NH,!,Ph")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Clomazone","MW:239.7",
": <30,Ph,2:/Cl,@3,\,!,|,?5,1:N,2:O,-2^-35:/_,-2^35:/_,-1://O")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Halfenprox","MW:477.4",
": <30,Ph,@6,\,O,!,/F^35,/F^-35,!,Br,@3,\,!,??,!,O,!,!,Ph,@-2,\,O,60,Ph")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Paraquat","MW:257.16",
": Ph,@4,\,Ph,{1,10}:N!,1:p_^-90,10:p_^90, ",
": @(5,1),Cl,n_^15,@(-0.5,1),Cl,n_^15 ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Picolinafen","MW:376.331",
": <30,Ph,5:/CF3,@3,\,O,!,|,Ph,2:N,@3,\,//O,!,NH,!,|,Ph,4:/F")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Quinoxyfen","MW:308.13",
": <30,Ph,4=Ph,10:N,{2,6}:/Cl,@7,\,O,!,|,Ph,4:/F")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Quitozene","MW:295.3",
": <30,Ph,{1,2,3,4,6}:/Cl,5:/NO2")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Bitertanol","MW:337.4",
": <30,Ph,@3,\,Ph,@-3,\,O,!2,/OH,!,??!,@14,\,|,?5,{2,4}=dl,{1,2,4}:N")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Bifenox","MW:342.14",
": <30,Ph,{4,6}:/Cl,@3,\,O,!,Ph,-4:/COO!,-3:/NO2")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Simeconazole","MW:293.417",
": <36,?5,{1,3,5}:N,{1,4}=dl, ",
": @3,30,!,/OH^30,!2,Si,/_,/_^60,!,@7,-30,Ph,-3:/F ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Fenamidone","MW:311.403",
": <18,?5,4=dl,{3,5}:N,2://O,@3,\,NH,!,Ph,4:/S!,1^52:*/_,1^-48~zf:/Ph")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Fenpyroximate","MW:421.49",
": <-6,?5,{3,5}=db,{1,2}:N,{2,5}:/Me,@3,\^-15,O,!,Ph, ",
": @4,\,!~dr,N,!,O,!2,|,Ph,@4,\,//O,-60,O,!4 ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Chlorsulron","MW:380.648",
": <30,Ph,6:/NH2,@1,\,SOO,!,NH2,@3,\,SOO,!,NH2,@4,\,/Cl,60~dl,/Cl,!,Cl")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Enrofloxacin","MW:359.401",
": <30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O,@1,\,|,?6,1:N,4:N,4:/!")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Fenitrothion","MW:277.23",
": <-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,3:/_,2:/NO2")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Fipronil","MW:437.2",
": <30, Ph,{2,4}:/Cl,6:/CF3,@3,\,|,?5,{2,4}=dl,{1,2}:N,3:/CN,5:/NH2, ",
": @-2,\,S,//O,!,CF3 ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Flumequine","MW:261.225",
": <30,Ph,3=?6,(2,7)=?6[4],9=dl,7:N,6:/F,9:/COOH,10://O,13:/_")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Imazalil","MW:297.2",
- ": <-30,!2,O,!2,!~dr,@1,60,|,?5,{2,4}=dl,{1,3}:N,@.$2,\,|,Ph,{4,6}:/Cl")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ ": <-30,!2,O,!2,!~dr,@1,60,|,?5,{2,4}=dl,{1,3}:N,@$2,\,|,Ph,{4,6}:/Cl")
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Imidacloprid","MW:255.662",
": <30,Ph,1:N,6:/Cl,@3,\,!,|,?5,2=dl,1:N,3:N,2:/'(NH,!,NO2)")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Kresoxim-Methyl","MW:313.348",
": <30,Ph,@3,\,/COO!,!~dr,N,!,O,!,@4,\,!,O,!,Ph,-1:/_")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Nalidixic acid","MW:232.239",
": <30,Ph,3=?6,9=dl,5:N,6:/_,7://O,8:/COOH,10:N!2")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Oryzalin","MW:346.4",
": <30,Ph,{1,3}:/NO2,@5,\,SOO,!,NH2,@2,\,/!2,N,!3")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Oxadiazon","MW:345.2",
": <30,Ph,{4,6}:/Cl,1:/O!?!,@3,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Oxadixyl","MW:278.3",
": <30,Ph,{2,4}:/_,@3,\,N,!1,//O,!2,O,!,@7,\,|,?5,1:N,2:O,5://O")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Oxyfluorfen","MW:361.701",
": <30,Ph,6:/CF3,4:/Cl,@3,\,O,!,Ph,-3:/NO2,@-4,\,O,!2")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Sulfadimidine","MW:278.33",
": <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,4}:N,{3,5}:/_")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Sulfamerazine","MW:264.303",
": <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,6}:N,3:/_")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Sulfadoxine","MW:310.328",
": <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{4,6}:N,{2,3}:/O!")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Sulfamethoxazole","MW:253.276",
": <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,?5,{2,5}=dl,4:O,5:N,3:/_")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Thiamethoxam","MW:291.71",
": <30,?6,4:N,2:O,6:N!,5://'(N,!,NO2),@4,\,!,|,?5,{1,3}=dl,3:N,5:S,4:/Cl")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Thiamphenicol","MW:355",
": <30,Ph,@1,\,SOO,!,@4,\,/OH,!,/!OH,!`1.1,NH,!`1.1,//O,!,/Cl,!,Cl")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Pyridaphenthion","MW:340.334",
": <30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,?6,{1,5}=dl,{2,3}:N,4://O,3:/Ph")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Permethrin","MW:391.288",
": <-30,?3,2^-35:*/_,2^35:/*_,1:/'(!!,/Cl,!,Cl), ",
": @3,\,//O,!,O,!2,|,Ph,@3,\,O,-60,Ph ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Isoprothiolane","MW:290.392",
": <-30,!,?!,O,!,//O,!,//'(?5,2:S,5:S),!,//O,!,O,!,?!")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Oxine-Copper","MW:351.852",
": Ph,4:N,5=Ph,@-4,\,O,-60,<90,Cu,-90,O,60,|,Ph,5=Ph,10:N,||, ",
": @4,&12~vf,@23,&12~vf ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Tetraconazole","MW:372.145",
": <-6,?5,{2,5}=dl, ",
": {1,2,4}:N,@4,\,!3,O,!,/F^35,/F^-35,!,CF2,@7,\,|,Ph,{4,6}:/Cl ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Endosulfan","MW:406.904",
": <26,?7,7=?6[13],@11,208~wf`1.45,&8~wb,10=dl,{3,5}:O,4:S,4://O, ",
": {8,9,10,11,12^-210,12^-150}:/Cl ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont;
%******************************************************************************
beginfont("EN:Uniconazole-P","MW:291.779",
": <30,Ph,6:/Cl,@3,\,!~dl,!,/OH,!,??!,@8,\,|,?5,{2,4}=dl,{1,2,4}:N")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Oxadiargyl","MW:341.19",
": <30,Ph,{1,3}:/Cl,6:/'(O,!2,!!!),@4,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Oxaziclomefone","MW:376.277",
": <30,?6,6=dl,4:N,2:O,1:/_,5://O,6:/Ph,@4,\,??,!,|,Ph,{3,5}:/Cl")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Trimetoprim","MW:290.323",
": <30,Ph,{1,5}:N,{2,6}:/NH2,@3,\,!,|,Ph,{3,4,5}:/O!")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Ciprofloxacin","MW:331.347",
": <30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O,@1,\,|,?6,1:N,4:NH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Danofloxacin","MW:357.385",
": <30,Ph,-4=?6,9=dl,7:N, ",
": 6:/F,7:/?3,9:/COOH,10://O, ",
": @1,\,|,?6,@2,-200`1.1,&5,{1,4}:N,4:*/_ ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Marbofloxacin","MW:362.361",
": <30,Ph,3=?6,9=dl,(2,7)=?6[4],6:/F,7:N,11:O,9:/COOH,10://O,13:N!, ",
": @1,\,|,?6,1:N,4:N! ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Ofloxacin","MW:361.373",
": <30,Ph,3=?6,(2,7)=?6[4],9=dl,7:N,11:O,6:/F,9:/COOH,10://O,13:/_, ",
": @1,\,|,?6,{1,4}:N,4:/_ ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Ormetoprim","MW:274.324",
": <30,Ph,{1,5}:N,{2,6}:/NH2,@3,\,!,|,Ph,2:/_,{4,5}:/O!")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Amoxicillin","MW:365.4042",
": <45,?4,-3=?5,2:N,7:S, ",
": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ",
": @4,*\^15,NH,!,//O,!,*/NH2,!,Ph,-3:/OH ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Ampicillin","MW:349.405",
": <45,?4,-3=?5,2:N,7:S, ",
": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ",
": @4,*\^15,NH,!,//O,!,/*NH2,!,Ph ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Benzyl-Penicillin","MW:334.4",
": <45,?4,-3=?5,2:N,7:S, ",
": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ",
": @4,*\^15,NH,!,//O,!,!,Ph ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Mecillinam","MW:325.4264",
": <45,?4,-3=?5,2:N,7:S, ",
": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ",
": @4,*\^15,N,!!,!,?7,-7:N ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Nafcillin","MW:414.4748",
": <45,?4,-3=?5,2:N,7:S, ",
": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ",
": @4,*\^15,NH,!,//O,!,Ph,-2=Ph,-9:/O!2 ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Oxacillin","MW:401.4363",
@@ -547,7 +547,7 @@ beginfont("EN:Oxacillin","MW:401.4363",
": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ",
": @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_, ",
": @-1,\^-24,Ph ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Cloxacillin","MW:435.8813",
@@ -555,7 +555,7 @@ beginfont("EN:Cloxacillin","MW:435.8813",
": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ",
": @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_, ",
": @-1,\^-24,Ph,-5:/Cl ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Dicloxacillin","MW:470.3264",
@@ -563,14 +563,14 @@ beginfont("EN:Dicloxacillin","MW:470.3264",
": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ",
": @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_, ",
": @-1,\^-24,Ph,{-1,-5}:/Cl ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Cefalexin","MW:347.3889",
": <45,?4,-3=?6,-4=dl,2:N,8:S, ",
": 3^45:/*H,1://O^15,5:/*COOH,6:/_, ",
": @4,*\^15,NH,!,//O,!,*/NH2,!,Ph ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Cefalonium","MW:458.5107",
@@ -578,7 +578,7 @@ beginfont("EN:Cefalonium","MW:458.5107",
": 3^45:/*H,1://O^15,@5,\*,//O,!,O,n_^40, ",
": @4,*\^15,NH,!,//O,!2,?5,{-1,-3}=dl,-4:S, ",
": @6,\,!,|,Ph,1:N,1:p_^180,@4,\,//O,!,NH2 ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Cefazorin","MW:454.51",
@@ -586,7 +586,7 @@ beginfont("EN:Cefazorin","MW:454.51",
": 3^45:/*H,1://O^15,5:/*COOH, ",
": @4,*\^15,NH,!,//O,!2,?5,{-2,-4}=dl,{-1,-2,-3,-5}:N, ",
": @6,\,!,S,!,?5,{-3,-5}=dl,-1:S,-2:/_,{-3,-4}:N ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Cefquinome","MW:528.6",
@@ -594,7 +594,7 @@ beginfont("EN:Cefquinome","MW:528.6",
": 3^45:/*H,1://O^15,@5,\*,//O,!,O,n_^40, ",
": @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2, ",
": @6,\,!,Ph,-2=?6,-10:N,-10:p_^180 ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Ceftiofur","MW:523.5626",
@@ -602,7 +602,7 @@ beginfont("EN:Ceftiofur","MW:523.5626",
": 3^45:/*H,1://O^15,5:/*COOH, ",
": @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2, ",
": @6,\,!,S,!,//O,!,?5,{-1,-3}=dl,-4:O ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Cefuroxime","MW:424.3852")
@@ -684,7 +684,7 @@ beginfont("EN:Spinosad","MW:731.968",
": @-2,\~zf,O,66,?6`.8,-1:O,-2:/_,{-3,-4,-5}:/O!, ",
": 8~wf:/Me,5^-65~wf:/H, ",
": @9,\~zf,O,!,|,?6`.8,2:O,3:/_,-3:/N?! ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Spiramycin","MW:843.1",
@@ -694,7 +694,7 @@ beginfont("EN:Spiramycin","MW:843.1",
": @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_, ",
": @-3,\*`1,O,60~wb`1.5,?6`.7,-5:O,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_, ",
": @8,\*,!,!!,O ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Natamycin","MW:665.733",
@@ -703,7 +703,7 @@ beginfont("EN:Natamycin","MW:665.733",
": {2,4,6,8,20}=dl,11=zb,23:O,-2:/*OH,-3:*/COOH, ",
": 18=?3,-1=wb,-2=wf,-1:O,22://O,24:*/_,{14^60,16}:*/OH, ",
": @10,*\,O,90,?6`.8,-3:*/OH,-5:/*OH,-4:/*NH2,-1:O,-2:/*_ ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Tylocin","MW:916.10",
@@ -713,7 +713,7 @@ beginfont("EN:Tylocin","MW:916.10",
": @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_, ",
": @-3,\*`1,O,60~wb`1.5,?6`.7,-5:O,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_, ",
": @8,\*,!,!!,O ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Tilmicosin","MW:869.133",
@@ -722,38 +722,38 @@ beginfont("EN:Tilmicosin","MW:869.133",
": @-1,*\,-60,O,0~zb,?6`.7,-5:O,{-1,-2}:*/O!,-3:*/OH,-4:/*_, ",
": @7,\*,O,0,?6`.7,-5:O,-2:*/N?!,{-1,-3}:/*OH,-4:*/_, ",
": @8,\*,!2,?6`.7,-6:N,{-2,-4}:*/_ ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Chlortetracyclin","MW:478.88",
": <30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,2:/Cl, ",
": {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2 ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Oxytetracyclin","MW:460.434",
": <30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,11:*/OH, ",
": {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2 ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Tetracyclin","MW:444.435",
": <30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35, ",
": {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2 ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Doxycyclin","MW:444.43",
": <30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_, ",
": {5,13~wf^60,11~wf,14,16}:/OH,15:*/N?!,@17,\,//O,!,NH2 ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Tiamulin","MW:493.74",
": <-45.5,?8,-3=?5,@8,#.8,-210~zf,/_^60,45,56,##,&6~zb, ",
": {3^-45,5,8}:*/_,@3,\*^30,!~dl,4:/*OH,11://O,7:*/H^60, ",
": @1,\^15,O,!,//O,!2,S,60,60,-60,N!2,60,-60 ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Rifampicin","MW:822.94",
@@ -762,19 +762,19 @@ beginfont("EN:Rifampicin","MW:822.94",
": #1,@-2,\,NH,60,//O,-60,/_,60~dl,60,60~dl,-60, ",
": */_,60,/*OH,-60,/*_,60,/*OH,60,*/_^30,-60, ",
": 60,/*_^30,-53,66,-53~dl,66`1.2,O,##,&($8), ",
- ": -4:/*O!,@-6,-30,O,!,//O,!,@.$11,\,!!,N,!,|,?6,1:N,4:N! ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ ": -4:/*O!,@-6,-30,O,!,//O,!,@$11,\,!!,N,!,|,?6,1:N,4:N! ")
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Trenbolone","MW:270.37",
": <30,?6,{3,10}=?6,13=?5,{2,11,15}=dl, ",
": 1://O,12:*/_^60,-1:/*OH,9:*/H^60,11:/*H^-60 ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Luciferin","MW:280.33",
": <30,Ph,3=?5,@8,\,?5,{9,16}=dl,{9,14}:N,{7,11}:S,1:/OH,-2:*/COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Chlorophyll a","MW:893.509",
@@ -782,12 +782,12 @@ beginfont("EN:Chlorophyll a","MW:893.509",
": {4,6,8,10,14,16,18,21,23,27}=dl,@4,\`1.48~vf,Mg,&17~vb,@11,&27,@27,&23, ",
": {4,11,17,23}:N,{1~zf,9,15,21}:/_,14:/!,20:/!!,25:/*COO!,26://O, ",
": @2,*\^-6,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_ ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Quercetin","MW:302.24",
": <30,Ph,3=?6,@9,\,Ph,9=dl,10:O,7://O,{2,6,8,13,14}:/OH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Limonin","MW:470.518",
@@ -795,86 +795,86 @@ beginfont("EN:Limonin","MW:470.518",
": {13,15,17,20}:O,{3,12,21}://O, ",
": {4~wf^60,8~zf^60}:/_,18:??,{1^60,5^180,16^60}:/*H, ",
": @14,\*,|,?5,{1,4}=dl,3:O ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Cromolyn","MW:468.37",
": <30,Ph,|,-1=?6,3=dl,1:O,4://O,2:/COOH, ",
- ": @.$2,\,O,!2,/OH,!2,O,60,Ph,|,-5=?6,3=dl,4:O,1://O,3:/COOH ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ ": @$2,\,O,!2,/OH,!2,O,60,Ph,|,-5=?6,3=dl,4:O,1://O,3:/COOH ")
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Emetine","MW:480.649",
": <30,Ph,{-4,-4}=?6,8:N,{1,6}:/O!,-2:/*!,{7^-60,12^-60}:/*H, ",
": @-3,\,!~zb,<-60,|,?6,5=dl,2:NH,-6^-60:*/H,|,-2=?6,{2,4}=dl,{-2,-3}:/O! ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Acronycine","MW:321.376",
": <30,Ph,|,-4=?6,1:N!,4://O,-3=Ph2,-1:/O!,|,-4=?6,2=dl,4:O,3:??")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Piperine","MW:285.343",
- ": <30,Ph,|,-1=?5,{1,3}:O,@.$4,\,!!,!,!!,!,//O,!,|,?6,1:N")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ ": <30,Ph,|,-1=?5,{1,3}:O,@$4,\,!!,!,!!,!,//O,!,|,?6,1:N")
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Febrifugine","MW:301.346",
- ": <30,Ph,|,-4=?6,2=dl,{1,3}:N,4://O,@.$9,\,!,//O,!,!~zf,|,?6,2:NH,-1:*/OH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ ": <30,Ph,|,-4=?6,2=dl,{1,3}:N,4://O,@$9,\,!,//O,!,!~zf,|,?6,2:NH,-1:*/OH")
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Mitomycine C","MW:334.332",
": <30,?6,{3,6}=dl,{2,5}://O,1:/_,-4=?5,-3:N, ",
": 6:/NH2,,-3=?5,-2=?3,-1=wb,-2=wf,-1:NH, ",
- ": 8:/*O!^35,@.$9,\,!,O,60,//O,!,NH2 ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ ": 8:/*O!^35,@$9,\,!,O,60,//O,!,NH2 ")
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Podophyllotoxin","MW:414.41",
": <0,?5,{2,5}:O,-3=Ph2,-3=?6,-3=?5,-2:O,-1=wb,-3://O, ",
": @10,\*,Ph,{-2,-3,-4}:/O!,13:/*OH,{11~wf^-60,12~zf^60}:/H ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont;
%******************************************************************************
beginfont("EN:Warfarin","MW:308.333",
": <30,Ph,3=?6,8=dl,10:O,7:/OH,9://O,@8,\,/Ph`1,60,!,//O,!")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont;
%******************************************************************************
beginfont("EN:Genistein","MW:270.24",
": <30,Ph,3=?6,9=dl,10:O,{2,6}:/OH,7://O,@8,\,Ph,-3:/OH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont;
%******************************************************************************
beginfont("EN:Baicalein","MW:270.24",
": <30,Ph,3=?6,9=dl,10:O,{1,2,6}:/OH,7://O,@8,\,Ph")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont;
%******************************************************************************
beginfont("EN:Reserpine","MW:608.688",
": <54,Ph,-4=?5,-2=?6,-4=?6,-3=?6,9=dl,11:N,7:NH,10:*/H^-60, ",
": {15^-60,16^60}:/*H, ",
": @20,*\,O,!,//O,!,Ph,{-2,-3,-4}:/O!,{1,19~zf>rl}:/O!,18:*/COO!>lr ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont;
%******************************************************************************
beginfont("EN:Rotenone","MW:394.423",
": <-60,?5,{-3,-2,-3,-4}=?6,{7,9,-2,-4}=dl,{3,17}=dr, ",
": {2,13,16}:O,10://O,{11^-60,12^60}:*/H,{-2,-3}:/O!,@1,*\,/_,!! ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont;
%******************************************************************************
beginfont("EN:Pyrethrin I","MW:328.452",
": <30,?3,{3^35~wf,3^-35~zf}:/_,@1,*\,!!,?!, ",
": @2,\*,//O,!,O,-36~zb,|,?5,-2=dl,-1:/_,-3://O,@-2,\,!4,{-1,-3}=dl ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont;
%******************************************************************************
beginfont("EN:Oseltamivir","MW:312.40",
": <30,?6,3=dl,6:*/NH2,@1,\*,NH,!,//O,!,@2,*\,O,!,/!,!2,@4,\,//O,!,O,!2")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Paclitaxel","MW:853.918",
@@ -882,69 +882,69 @@ beginfont("EN:Paclitaxel","MW:853.918",
": 4:??,6:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O, ",
": @1,\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph, ",
": @7,\*,O,-45,//O,60,Ph,11:*/OCO!>rl,12:/*OCO!^-15>lr ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Mevastatin","MW:390.52",
": <30,?6,2=dl,4:*/H^60,-4=?6,-4=dl,9:*/_, ",
": @10,*\,!,60~wb,?6,6:O,-2://O,-4:/*OH,@5,\*,O,60,//O,!,*/_,!2 ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Sesamine","MW:354.35",
": <54,?5,1=?5,{4,7}:O,{1^-54,2^54}:*/H,{5,8}:*/'(Ph,4=?5,7:O,9:O)^-12")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Morphine","MW:285.343",
": <30,Ph,2=?6,-4=?6,(1,12)=?5[2],-1:O,-1=zb, ",
": @7,60~wf`0.75,70~si_`1.3,45,N!,&9~wb, ",
": 15=dl,6:/OH,8^180:*/H,12:/*OH ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Quinine","MW:324.424",
": <30,Ph,3=Ph,7:N,6:/O!, ",
": @10,\,*/OH,/H~zf^-60,!,|,?6,2:N,1:*/H^60,@4,*\,!!,@2,165~zf,60,&5~zb ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Atoropin","MW:289.375",
": <30,O,!,//O,!,!,Ph, ",
- ": @.$1,\~zb^-60,|,?7`1.1,@6,*\^190`1.25,N!,&3~wb,$3:/!OH~wv ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ ": @$1,\~zb^-60,|,?7`1.1,@6,*\^190`1.25,N!,&3~wb,$3:/!OH~wv ")
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Colchicine","MW:399.443",
": <30,Ph,{1,2,6}:/O!,-4=?7,-5=?7,{-1,-4,-6}=dl,-2://O,-3:/O!,9:/NHCO!")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Lycorine","MW:287.315",
": <30,Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3],13=dl,8:N,{15,17}:O, ",
": 9:/*H^180,10:*/H^60,13:*/OH,14:/*OH ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Ibotenic acid","MW:158.113",
": <18,?5,4=dl,3:O,2:NH,1://O,@4,-24,/NH2,!,COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:illudin S","MW:264.3",
": <30,?6,3=?5,6:**?3,{4,7}=dl,2://O,5:/_, ",
": {1^35,8^35}:*/_,1:/*OH^-35,9:*/OH,8:/*!OH^-35 ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Muscarine","MW:174.26",
": <18,?5,2:O,1:*/_,5:/*OH,@3,*\,48,N,??,p_^180,!")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Psilocybin","MW:284.248",
": <30,Ph,3=?5,8=dl,9:NH,@2,\,O,-60,P,//O^-45,/OH^45,90,OH,@7,\,!,-60,N?!")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Tetrodotoxine","MW:319.27",
@@ -952,13 +952,13 @@ beginfont("EN:Tetrodotoxine","MW:319.27",
": @10,\,O,60`1.33,60,&($3)~si_,@8,-15~si_,O,&12,##, ",
": @9,45,-60,OH,1^120://NH, ",
": {5~zf^-15,7,9^-75,12,13~zf}:/OH,{2,6^180}:NH ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
beginfont("EN:Aflatoxin B1","MW:312.27",
": <30,Ph,6=?6,-2=?5,4=?5,-2=?5,{-2,10}=dl,{7,14,17}:O, ",
": 2:/O!,{8,11}://O,{15^-54,16^54}:*/H ")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%******************************************************************************
bye
diff --git a/graphics/mcf2graph/mcf_example.pdf b/graphics/mcf2graph/mcf_example.pdf
index a4a5a3ba7f..a0c768a271 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 155d6139e9..bd8347527a 100644
--- a/graphics/mcf2graph/mcf_example.tex
+++ b/graphics/mcf2graph/mcf_example.tex
@@ -1,12 +1,22 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2021.02.28
+% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2021.03.21
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
\usepackage{graphicx}
-%---------------------
+\makeatletter%
+%--------------------------------
+\edef\jobname{mcf_exa_soc}%
\usepackage{mcf_setup}
+%--------------------------------
%%%%\pdfpkresolution=1200
-%---------------------
+%--------------------------------
+\edef\f@ext{pk}% **** for proof print (fast)
+%%%%\edef\f@ext{mps}% **** for final print (it takes long time)
+%--------------------------------
+%%%%\edef\fext{png}%
+%%%%\edef\fext{svg}%
+%%%%\edef\fext{eps}%
+%--------------------------------
\pagestyle{empty}
\topmargin=-24mm
\oddsidemargin=-12mm
@@ -14,24 +24,18 @@
\textheight=280mm
\parindent=0mm
\setlength\columnsep{8mm}
-%-----------------------------------------------------------------------------
-\makeatletter%
+%--------------------------------
\newbox \f@box%
\newcount \f@num%
\newcount \tnum%
\tnum=0%
\font\labelM=cmtt8 at 6pt\relax%
-%-----------------------------------------------------------------------------
+%--------------------------------
\newif\ifCONT@%
\newread\@auxf%
-%------------------------------------------------------------------------
+%--------------------------------
\f@num=1%
\unitlength=0.01mm%
-%------------------------------------------------------------------------
-\edef\jobname{mcf_exa_soc}%
-\edef\f@ext{pk}%
-%%%%\edef\f@ext{mps}%
-%%%%\edef\f@ext{png}%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\begin{document}
\begin{center}
diff --git a/graphics/mcf2graph/mcf_man_soc.mf b/graphics/mcf2graph/mcf_man_soc.mf
index 04ed57fe0c..74652a2e7b 100644
--- a/graphics/mcf2graph/mcf_man_soc.mf
+++ b/graphics/mcf2graph/mcf_man_soc.mf
@@ -1,8 +1,8 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2021.03.07
+% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2021.03.21
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf; %% it must be version 4.60
-message "mcf_man_soc 2021.03.07"; message "";
+input mcf2graph.mf; %% it must be version 4.61
+message "mcf_man_soc 2021.03.21"; message "";
%------------------------------------------------------------------------
sw_mframe:=0;
sw_expand:=0;
@@ -15,120 +15,120 @@ fsize:=(40mm,25mm);
blength:=6mm;
%***********************************************************************
beginfont("EN:Glycine",":<30,NH2,!2,COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:L-Alanine",":<30,NH2,!~wb,/_,!,COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:L-Valine",":<30,NH2,!~wb,/!?!,!,COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:L-Leucine",":<30,NH2,!~wb,/!?!,!,COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:L-Isoleucine",":<30,NH2,!~wb,/'(/*_,!2),!,COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:L-Serine",":<30,NH2,!~wb,/!OH,!,COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:L-Threonine",":<30,NH2,!~wb,/'(/_,!~wf,OH),!,COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:L-Cysteine",":<30,NH2,!~wb,/!SH,!,COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:L-Methionine",":<30,NH2,!~wb,/'(!2,S,!),!,COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:L-Phenylalanine",":<30,NH2,!~wb,/!Ph,!,COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:L-Tyrosine",":<30,NH2,!~wb,/'(!Ph,-3:/OH),!,COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:L-Triptophan",
":<30,NH2,!~wb,!,COOH,@2,\,!,<24,|,?5,-4=Ph,2=dr,5=dl,4:NH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:L-Prorine",":<18,?5,3:NH,4:*/COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:L-Glutamine",
":<30,NH2,!~wb,!,COOH,@2,\`1,!`1,!,//O,!,NH2")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:L-Asparagine",":<30,NH2,!~wb,/'(!,//O,!,NH2),!,COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:L-Aspartic acid",":<30,NH2,!~wb,/!COOH,!,COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:L-Glutamic acid",":<30,NH2,!~wb,/'(!2,COOH),!,COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:L-Lysine",":<30,NH2,!~wb,/'(!4,NH2),!,COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:L-Arginine",
":<30,NH2,!~wb,!,COOH,@2,\`1,!`1,!2,NH,!,//NH,!,NH2")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:L-Hystidine",
":<30,NH2,!~wb,!,COOH,@2,\,!,|,?5,{1,3}=dl,3:N,5:NH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:L-DOPA",":<30,NH2,!~wb,!,COOH,@2,\,!,Ph,{-3,-4}:/OH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:Ornithine",":<30,NH2,!~wb,/'(!3,NH2),!,COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:Citrulline",":<30,NH2,!~wb,/'(!3,NH,!,//O,!,NH2),!,COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:GABA",":<30,NH2,!4,COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:amino Levulinic acid",":<30,NH2,!2,//O,!3,COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:4-amino benzoic acid",":<30,Ph,1:/NH2,4:/COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:L-Carboxyl glutamic acid",
":<30,NH2,!~wb,/'(!,/COOH,!,COOH),!,COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:L-Hydroxy Prorine",":<18,?5,1:/OH,3:NH,4:*/COOH")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
@@ -261,10 +261,17 @@ endfont
beginfont("EN:change bond 1")
fsize:=(70mm,12mm);
fmargin:=(2mm,3mm);
- blength:=8mm;
- sw_trimming:=1;
+ sw_trimming:=0;
ratio_chain_ring:=1;
MC(<-30,!~dm,!,!~dl,!,!~dr,!~db,!~db,!,!~tm)
+ add(defaultscale:=0.6; labeloffset:=0;
+ label.rt("(dm)",A1+(0,-0.8l));
+ label.rt("(dl)",A3+(0,-0.8l));
+ label.rt("(dr)",A5+(0,-0.8l));
+ label.rt("(db)",A6+(0,-0.3l));
+ label.rt("(db)",A7+(0,-0.8l));
+ label.rt("(tm)",A9+(0,-0.8l));
+ )
endfont
%***********************************************************************
beginfont("EN:change bond 2")
@@ -274,6 +281,12 @@ beginfont("EN:change bond 2")
sw_trimming:=1;
ratio_chain_ring:=1;
MC(<-30,!~wf,!,!~wb,!,!~zf,!,!~zb)
+ add(defaultscale:=0.6; labeloffset:=0;
+ label.rt("(wf)",A1+(0,-0.7l));
+ label.rt("(wb)",A3+(0,-0.7l));
+ label.rt("(zf)",A5+(0,-0.7l));
+ label.rt("(zb)",A7+(0,-0.7l));
+ )
endfont
%***********************************************************************
beginfont("EN:change bond 3")
@@ -283,6 +296,10 @@ beginfont("EN:change bond 3")
sw_trimming:=1;
ratio_chain_ring:=1;
MC(<-30,!~vf,!,!~vb)
+ add(defaultscale:=0.6; labeloffset:=0;
+ label.rt("(vf)",A1+(0,-0.7l));
+ label.rt("(vb)",A3+(0,-0.7l));
+ )
endfont
%***********************************************************************
beginfont("EN:change bond 3")
@@ -292,6 +309,12 @@ beginfont("EN:change bond 3")
sw_trimming:=1;
ratio_chain_ring:=1;
MC(<-30,!7,1=dt,3=wv,5=bd,7=bz)
+ add(defaultscale:=0.6; labeloffset:=0;
+ label.rt("(dt)",A1+(0,-0.7l));
+ label.rt("(wv)",A3+(0,-0.7l));
+ label.rt("(bd)",A5+(0,-0.7l));
+ label.rt("(bz)",A7+(0,-0.7l));
+ )
endfont
%***********************************************************************
beginfont("EN:change bond 4")
@@ -347,6 +370,7 @@ endfont
%***********************************************************************
beginfont("EN:change atom brock address 1")
fsize:=(70mm,15mm);
+ fmargin:=(3mm,1.5mm);
MCat(0,.5)(?6,@4,\,|,?6,2:O)
sw_numberA:=1;
msize:=(1,.88);
@@ -355,6 +379,7 @@ endfont
%***********************************************************************
beginfont("EN:change atom brock address 2")
fsize:=(70mm,15mm);
+ fmargin:=(3mm,1.5mm);
MCat(0,.5)(?6,@4,\,|,?6,||,2:N)
sw_numberA:=1;
msize:=(1,.88);
@@ -363,6 +388,7 @@ endfont
%***********************************************************************
beginfont("EN:change atom absolute address")
fsize:=(70mm,15mm);
+ fmargin:=(3mm,1.5mm);
MCat(0,.5)(?6,@4,\,?6,$2:N)
sw_numberA:=1;
msize:=(1,.88);
@@ -371,6 +397,7 @@ endfont
%***********************************************************************
beginfont("EN:change atom relative adress")
fsize:=(70mm,15mm);
+ fmargin:=(3mm,1.5mm);
MCat(0,.5)(?6,@4,\,?6,-2:N)
sw_numberA:=3;
msize:=(1,.88);
@@ -411,6 +438,7 @@ endfont
%-----------------------------------------------------------------------
beginfont("EN:fuse multi ring")
fsize:=(70mm,20mm);
+ fmargin:=(2mm,2mm);
sw_numberB:=1;
sw_trimming:=1;
MC(<30,?6,{-3,-4,-4,-2,-2,-4,-4}=?6,{4,8,13,20,25,28,33}=dt)
@@ -418,6 +446,7 @@ endfont
%***********************************************************************
beginfont("EN:fused ring 2")
fsize:=(75mm,20mm);
+ fmargin:=(2mm,2mm);
sw_numberB:=1;
msize:=(1,.9);
MCat( 0,.5)(<30,?6,3=?6,(11,4)=?6[4],{11,4}=dt,{12,13,14,15}=bd)
@@ -467,7 +496,14 @@ endfont
beginfont("EN:group 2")
fsize:=(80mm,15mm);
sw_trimming:=1;
- MC(<30,!`1,//O,!2`1,/*H,!2`1,*/H,!2`1,*/*H,!2`1,**?3,!`1)
+ MC(<30,!`1,//O,!2`1,*/H,!2`1,/*H,!2`1,*/*H,!2`1,**?3,!`1)
+ add(defaultscale:=0.75;
+ label("//",A2-(0,0.45l));
+ label("*/",A4-(0,0.45l));
+ label("/*",A6-(0,0.45l));
+ label("*/*",A8-(0,0.45l));
+ label("**",A10-(0,0.45l));
+ )
endfont
%***********************************************************************
beginfont("EN:group 3")
@@ -545,34 +581,50 @@ beginfont("EN:methyl*2,isopropyl,tert-butyl")
endfont
%***********************************************************************
beginfont("EN:User definition")
- fsize:=(60mm,15mm);
+ fsize:=(60mm,13mm);
sw_trimming:=1;
iBuOH:='(!,/_,!,OH);
MC(<30,?6,{4,6}:/iBuOH)
endfont
%***********************************************************************
beginfont("EN:Inline definition")
- fsize:=(60mm,15mm);
+ fsize:=(60mm,13mm);
fmargin:=(2mm,1mm);
sw_trimming:=1;
MC(<30,!8,{2,6}:/'(!,/_,!,OH))
endfont
%***********************************************************************
beginfont("EN:Move position")
- fsize:=(60mm,12mm);
+ fsize:=(70mm,16mm);
fmargin:=(2mm,1mm);
sw_trimming:=1;
MC(<30,?6,@3,\,!3,//O,!,O,n_^60,@(6,1),H,p_^15)
add(drawdot A1 withpen pencircle scaled 2bp;
pickup pencircle scaled 0.1bp;
for i=0 upto 6:
- draw (A1+(l*i,l-2bp))--(l*i,l+2bp);
+ draw (A1+(l*i,l-3bp))--(l*i,l+3bp);
endfor
draw A1--(A1+(0,1l))--A1+(6l,1l);
- draw (A1+(0,1l))--(A1+(-2bp,1l));
+ draw (A1+(0,1l))--(A1+(-3bp,1l));
)
endfont
%***********************************************************************
+beginfont("EN:Change color")
+ fsize:=(50mm,20mm);
+ max_blength:=8mm;
+ MC(
+ <30,Ph,{2,5}:N,3:/NH2,4:/COOH,
+ 2:red,5:blue,3=green
+ )
+endfont
+%***********************************************************************
+beginfont("EN:Change font")
+ fsize:=(50mm,20mm);
+ max_blength:=8mm;
+ atomfont:="cmr8";
+ MC(<30,Ph,{2,5}:N,3:/NH2,4:/COOH)
+endfont
+%***********************************************************************
beginfont("EN:mangle")
fsize:=(50mm,15mm);
blength:=6mm;
@@ -698,7 +750,7 @@ beginfont("EN:mposition")
endfont
%***********************************************************************
beginfont("EN:Font size")
- fsize:=(40mm,15mm);
+ fsize:=(40mm,12mm);
sw_fframe:=1;
MC(<30,Ph)
ext(pickup pencircle scaled 0.2pt;
@@ -710,10 +762,10 @@ beginfont("EN:Font size")
endfont
%***********************************************************************
beginfont("EN:fmargin")
- fsize:=(40mm,15mm);
+ fsize:=(40mm,12mm);
sw_fframe:=3;
sw_mframe:=1;
- fmargin:=(10mm,3mm);
+ fmargin:=(10mm,1mm);
MC(<30,Ph)
ext(pickup pencircle scaled 0.2pt;
for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
@@ -725,39 +777,60 @@ beginfont("EN:fmargin")
endfont
%***********************************************************************
beginfont("EN:offset_thickness")
- fsize:=(60mm,15mm);
- offset_thickness:=0.0pt; MCat(0.08,0.5)(<30,Ph)
- offset_thickness:=0.2pt; MCat(.5,0.5)(<30,Ph)
- offset_thickness:=0.5pt; MCat(0.92,0.5)(<30,Ph) endfont
+ fsize:=(60mm,12mm);
+ offset_thickness:=0.0pt; MCat(0.1,0.5)(<30,Ph)
+ offset_thickness:=0.2pt; MCat(0.55,0.5)(<30,Ph)
+ offset_thickness:=0.5pt; MCat(1,0.5)(<30,Ph)
+ ext(defaultscale:=0.6; labeloffset:=1bp;
+ label.urt("0.0pt",(0,1bp));
+ label.urt("0.2pt",(0.36w,1bp));
+ label.urt("0.5pt",(0.7w,1bp));
+ )
+endfont
%***********************************************************************
beginfont("EN:offset_bond_gap")
- fsize:=(60mm,15mm);
+ fsize:=(60mm,12mm);
offset_bond_gap:=0.0pt;
- MCat(0.08, .5)(<30,Ph)
+ MCat(0.1, .5)(<30,Ph)
offset_bond_gap:=0.3pt; %<<== default
- MCat(.50, .5)(<30,Ph)
+ MCat(.55, .5)(<30,Ph)
offset_bond_gap:=1.0pt;
- MCat(0.92, .5)(<30,Ph)
+ MCat(1, .5)(<30,Ph)
+ ext(defaultscale:=0.6; labeloffset:=1bp;
+ label.urt("0.0pt",(0,1bp));
+ label.urt("0.3pt",(0.36w,1bp));
+ label.urt("1.0pt",(0.7w,1bp));
+ )
endfont
%***********************************************************************
beginfont("EN:offset_atom")
- fsize:=(60mm,15mm);
+ fsize:=(60mm,12mm);
offset_atom:=0.0pt;
- MCat(0.08, .5)(<30,?6,3:O)
+ MCat(0.1, .5)(<30,?6,3:O)
offset_atom:=0.8pt; %<<== default
- MCat(.5, .5)(<30,?6,3:O)
+ MCat(.55, .5)(<30,?6,3:O)
offset_atom:=2.0pt;
- MCat(0.92, .5)(<30,?6,3:O)
+ MCat(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));
+ label.urt("2.0pt",(0.7w,1bp));
+ )
endfont
%***********************************************************************
beginfont("EN:offset_wedge")
- fsize:=(60mm,15mm);
+ fsize:=(60mm,12mm);
offset_wedge:=0.0pt;
- MCat(0.08, .5)(<30,?6,5:*/_)
+ MCat(0.1,0.5)(<30,?6,5:*/_)
offset_wedge:=0.4pt; %<<== default
- MCat( .5, .5)(<30,?6,5:*/_)
+ MCat(0.55,0.5)(<30,?6,5:*/_)
offset_wedge:=1.0pt;
- MCat(0.92, .5)(<30,?6,5:*/_)
+ MCat(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));
+ label.urt("1.0pt",(0.7w,1bp));
+ )
endfont
%***********************************************************************
beginfont("EN:max_blength")
@@ -769,87 +842,132 @@ beginfont("EN:max_blength")
MCat(.4,.5)(<30,Ph)
max_blength:=20mm; %<<== default
MCat(1, .5)(<30,Ph)
+ ext(defaultscale:=0.6; labeloffset:=1bp;
+ label.urt("6mm", (0.08w,2bp));
+ label.urt("8mm", (0.40w,2bp));
+ label.urt("20mm",(0.75w,0.45h));
+ )
endfont
%***********************************************************************
beginfont("EN:ratio_thickness_bond")
- fsize:=(60mm,15mm);
+ fsize:=(60mm,12mm);
ratio_thickness_bond:=0.005;
- MCat(0.08, .5)(<30,Ph)
+ MCat(0.1,0.5)(<30,Ph)
ratio_thickness_bond:=0.015; %<<== default
- MCat(.5, .5)(<30,Ph)
+ MCat(.55,0.5)(<30,Ph)
ratio_thickness_bond:=0.03;
- MCat(0.92, .5)(<30,Ph)
+ MCat(1, 0.5)(<30,Ph)
+ ext(defaultscale:=0.6; labeloffset:=1bp;
+ label.urt("0.005",(0,1bp));
+ label.urt("0.015",(0.36w,1bp));
+ label.urt("0.030",(0.7w,1bp));
+ )
endfont
%***********************************************************************
beginfont("EN:ratio_char_bond")
- fsize:=(60mm,15mm);
+ fsize:=(60mm,12mm);
ratio_char_bond:=1.0;
- MCat( 0, .5)(<30,?6,6:O,3:NH)
+ MCat(0, .5)(<30,?6,6:O,3:NH)
ratio_char_bond:=1.5; %<<== default
MCat(.5, .5)(<30,?6,6:O,3:NH)
ratio_char_bond:=2.0;
MCat( 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));
+ label.urt("2.0",(0.7w,1bp));
+ )
endfont
%***********************************************************************
beginfont("EN:ratio_bondgap_bond")
- fsize:=(60mm,15mm);
+ fsize:=(60mm,12mm);
ratio_bondgap_bond:=0.10;
- MCat(0.08, .5)(<30,Ph)
+ MCat(0.1, .5)(<30,Ph)
ratio_bondgap_bond:=0.15; %<<== default
- MCat(.5, .5)(<30,Ph)
+ MCat(.55, .5)(<30,Ph)
ratio_bondgap_bond:=0.20;
- MCat(0.92, .5)(<30,Ph)
+ MCat(1 , .5)(<30,Ph)
+ ext(defaultscale:=0.6; labeloffset:=1bp;
+ label.urt("0.10",(0,1bp));
+ label.urt("0.15",(0.36w,1bp));
+ label.urt("0.20",(0.7w,1bp));
+ )
endfont
%***********************************************************************
beginfont("EN:ratio_atom_bond")
- fsize:=(60mm,15mm);
+ fsize:=(60mm,12mm);
ratio_atom_bond:=0.25;
- MCat(0.08, .5)(<30,?6,3:O)
+ MCat(0.1, .5)(<30,?6,3:O)
ratio_atom_bond:=0.33; %<<== default
- MCat(.5, .5)(<30,?6,3:O)
+ MCat(.55, .5)(<30,?6,3:O)
ratio_atom_bond:=0.45;
- MCat(0.92, .5)(<30,?6,3:O)
+ MCat(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));
+ label.urt("0.45",(0.7w,1bp));
+ )
endfont
%***********************************************************************
beginfont("EN:ratio_wedge_bond")
- fsize:=(60mm,15mm);
+ fsize:=(70mm,12mm);
ratio_wedge_bond:=0.1;
- MCat(0.08, .5)(<30,?6,5:*/_)
+ MCat(0.05, .5)(?6,4:*/_)
ratio_wedge_bond:=0.12; %<<== default
- MCat(.5, .5)(<30,?6,5:*/_)
+ MCat(.55, .5)(?6,4:*/_)
ratio_wedge_bond:=0.2;;
- MCat(0.92, .5)(<30,?6,5:*/_)
+ MCat(1 , .5)(?6,4:*/_)
+ ext(defaultscale:=0.6; labeloffset:=1bp;
+ label.urt("0.10",(0,1bp));
+ label.urt("0.12",(0.36w,1bp));
+ label.urt("0.20",(0.7w,1bp));
+ )
endfont
%***********************************************************************
beginfont("EN:ratio_atomgap_atom")
- fsize:=(60mm,15mm);
+ fsize:=(70mm,12mm);
sw_aframe:=1;
ratio_atomgap_atom:=0.00;
- MCat(0, .5)(<30,!2,2:O)
+ MCat(0, .5)(<30,!2`0.5,2:O)
ratio_atomgap_atom:=0.050; %<<== default
- MCat(.5,.5)(<30,!2,2:O)
+ MCat(.5,.5)(<30,!2`0.5,2:O)
ratio_atomgap_atom:=0.12;
- MCat(1, .5)(<30,!2,2:O)
+ MCat(1, .5)(<30,!2`0.5,2:O)
+ ext(defaultscale:=0.75; labeloffset:=1bp;
+ label.urt("0.00",(0.05w,1bp));
+ label.urt("0.05",(0.45w,1bp));
+ label.urt("0.12",(0.85w,1bp));
+ )
endfont
%***********************************************************************
beginfont("EN:ratio_chain_ring")
- fsize:=(70mm,15mm);
+ fsize:=(70mm,12mm);
ratio_chain_ring:= 0.4;
- MCat(0, .5)(<30,?6,4:/!)
+ MCat(0.05, .5)(<30,?6,4:/!)
ratio_chain_ring:= 0.66; %<<== default
MCat(.45, .5)(<30,?6,4:/!)
ratio_chain_ring:= 1;
MCat(1, .5)(<30,?6,4:/!)
+ ext(defaultscale:=0.6; labeloffset:=1bp;
+ label.urt("0.40",(0,1bp));
+ label.urt("0.66",(0.3w,1bp));
+ label.urt("1.0" ,(0.62w,1bp));
+ )
endfont
%***********************************************************************
beginfont("EN:ratio_hashgap_bond")
- fsize:=(60mm,15mm);
+ fsize:=(70mm,15mm);
ratio_hashgap_bond:=0.06;
- MCat(0.08, .5)(<30,!2,2:/*_`1)
+ MCat(0.08, .5)(<30,!2,2:/*_`1.5)
ratio_hashgap_bond:=0.12; %<<== default
- MCat( .5, .5)(<30,!2,2:/*_`1)
+ MCat( .55, .5)(<30,!2,2:/*_`1.5)
ratio_hashgap_bond:=0.20;
- MCat(0.92, .5)(<30,!2,2:/*_`1)
+ MCat(1, .5)(<30,!2,2:/*_`1.5)
+ ext(defaultscale:=0.6; labeloffset:=1bp;
+ label.urt("0.06",(0,1bp));
+ label.urt("0.12",(0.4w,1bp));
+ label.urt("0.20",(0.77w,1bp));
+ )
endfont
%***********************************************************************
beginfont("EN:Switwch numberingA")
@@ -982,13 +1100,13 @@ endfont
%-----------------------------------------------------------------------
beginfont("EN:MCat()")
defaultsize:=5bp;
- fsize:=(40mm,40mm);
+ fsize:=(60mm,40mm);
fmargin:=(3mm,3mm);
- blength:=0.1;
+ blength:=0.07;
sw_fframe:=1;
mangle:=0;
for i=1 step -0.5 until 0:
- for j=0 step 0.5 until 1:
+ for j=0 step 0.33 until 1:
MCat(j,i)(Ph,4:N)
add(
drawarrow((A1+A1up**aw)..A1);
@@ -1002,13 +1120,13 @@ endfont
beginfont("EN:Pyridine",":<30,Ph,2:N")
sw_trimming:=0;
fsize:=(12mm,12mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%-----------------------------------------------------------------------
beginfont("EN:Pyridine",":<30,Ph,2):N")
sw_trimming:=0;
fsize:=(12mm,12mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:add() 1")
@@ -1137,7 +1255,7 @@ beginfont("EN:Luciferin","MW:280.33",
": {9,14}:N,{7,11}:S,1:/OH,-2:*/COOH ")
%---------------------------------------
fsize:=(50mm,15mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***************************************************************************
beginfont("EN:Colchicine","MW:385.41",
@@ -1147,7 +1265,7 @@ beginfont("EN:Colchicine","MW:385.41",
": @9,\,NH,!,//O,! ")
%---------------------------------------
fsize:=(50mm,20mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***************************************************************************
beginfont("EN:Paclitaxel","MW:853.91",
@@ -1161,7 +1279,7 @@ beginfont("EN:Paclitaxel","MW:853.91",
": @12,\*^-15,O,60,//O,-60 ")
%------------------------------------------------------
fsize:=(50mm,25mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***************************************************************************
beginfont("EN:Lycorine","MW:287.31",
@@ -1171,7 +1289,7 @@ beginfont("EN:Lycorine","MW:287.31",
": 9:/*H^180,10:*/H^60,13:*/OH,14:/*OH ")
%-----------------------------------------
fsize:=(50mm,20mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***********************************************************************
beginfont("EN:Gibberellin A3","MW:346.37",
@@ -1183,7 +1301,7 @@ beginfont("EN:Gibberellin A3","MW:346.37",
": 14:*/_,{1,4}:*/H^60 ")
%----------------------------------------
fsize:=(50mm,18mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***************************************************************************
beginfont("EN:Quinine","MW:324.42",
@@ -1194,7 +1312,7 @@ beginfont("EN:Quinine","MW:324.42",
": @2,165~zf,60,&5~zb ")
%----------------------------------------
fsize:=(50mm,20mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
%***************************************************************************
sw_calc:=1;
@@ -1230,7 +1348,7 @@ beginfont("EN:Ampicillin","MW:349.405",
)
fsize:=(72mm,110mm);
blength:=7mm;
- if check_mc(mc)=0: MCat(0.5,0.95)(scantokens(mc)) fi
+ if check(mc)=0: MCat(0.5,0.95)(scantokens(mc)) fi
endfont
%***************************************************************************
beginfont("EN:Cholesterol","MW:386.65",
@@ -1239,7 +1357,7 @@ beginfont("EN:Cholesterol","MW:386.65",
": 1:*/OH,{4,12}:*/_^60,@-1,18,/*_,-60,!3,?!")
fsize:=(72mm,110mm);
blength:=7mm;
- if check_mc(mc)=0: MCat(0.5,0.95)(scantokens(mc)) fi
+ if check(mc)=0: MCat(0.5,0.95)(scantokens(mc)) fi
endfont
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
bye
diff --git a/graphics/mcf2graph/mcf_manual.pdf b/graphics/mcf2graph/mcf_manual.pdf
index f6ca1937e8..d6af77d625 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 357a853c5a..e41355ff48 100644
--- a/graphics/mcf2graph/mcf_manual.tex
+++ b/graphics/mcf2graph/mcf_manual.tex
@@ -1,16 +1,24 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format manual by Akira Yamaji 2021.03.07
+% Molecular Coding Format manual by Akira Yamaji 2021.03.21
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
\usepackage[pdftex]{graphicx}
\usepackage[pdftex]{hyperref}
\usepackage{makeidx}
\makeindex
-%---------------------
+\hypersetup{colorlinks=true,linkcolor=blue}
+\makeatletter
\usepackage{mcf_setup}
+%----------------------------------------------------------------------------
%%%%\pdfpkresolution=1200
-%---------------------
-\hypersetup{colorlinks=true,linkcolor=blue}
+%----------------------------------------------------------------------------
+%%%%\edef\fext{pk}% **** for proof print (fast)
+\edef\fext{mps}% **** for final print (it takes long time)
+%----------------------------------------------------------------------------
+%%%%\edef\fext{png}%
+%%%%\edef\fext{svg}%
+%%%%\edef\fext{eps}%
+%----------------------------------------------------------------------------
\topmargin=-18mm
\textheight=254mm
\textwidth=168mm
@@ -18,7 +26,6 @@
%%%%\oddsidemargin=7mm
%%%%\evensidemargin=-7mm
\unitlength=1mm%
-\makeatletter
%----------------------------------------------------------------------------
\newcount \fnum%
\newdimen \htman%
@@ -33,21 +40,15 @@
%----------------------------------------------------------------------------
\edef\MCFjobname{mcf_man_soc}%
%----------------------------------------------------------------------------
-\edef\fext{pk}%
-%%\edef\fext{mps}%
-%%\edef\fext{png}%
-%%\edef\fext{svg}%
-%%\edef\fext{eps}%
-%----------------------------------------------------------------------------
\font\@strufont=\MCFjobname\relax%
%----------------------------------------------------------------------------
\def\MCFgraph{%
\ifx\fext\@pk{\@strufont\char\fnum}%
\else%
\edef\file@name{\MCFjobname-\z@num\fnum.\fext}%
-%%%%%%%\includegraphics{\file@name}%
\setbox\fbox=\hbox{\@strufont\char\fnum}%
\includegraphics[width=\wd\fbox,height=\ht\fbox]{\file@name}%
+%%%%%%%\includegraphics{\file@name}%
\fi%
\global\advance\fnum\@ne\relax%
}%
@@ -87,6 +88,7 @@
\linethickness{0.08mm}%
%----------------------------------------------------------------------------
\newpage
+\twocolumn
\section{Introduction}
Molecular Coding Format(MCF) is new linear notation
represent chemical structure diagrams.
@@ -194,7 +196,7 @@ $n (0<=n<360): absolute angle
\MCFgraph
%-----------------------------------------------------------------------------
\subsection{Change bond type}
-\subsubsection{Double,triple}
+\subsubsection{Double,triple,wedge,vector}
\index{\textasciitilde}%
\index{\textasciitilde\textasciitilde}%
\index{"!"!}%
@@ -205,6 +207,8 @@ $n (0<=n<360): absolute angle
\index{db}%
\index{tm}%
\begin{verbatim}
+
+(Double,triple)
a~type : ~~type,a
dm : double middle
dl : double left side
@@ -218,59 +222,57 @@ tm : triple
\end{verbatim}
\MCFgraph
\vspace{-3mm}%
-\begin{verbatim}
- dm dl dr db db tm
-\end{verbatim}
%-----------------------------------------------------------------------------
-\subsubsection{Wedge}
+%%\subsubsection{Wedge}
\index{wf}%
\index{wb}%
\index{zf}%
\index{zb}%
\begin{verbatim}
-wf : wedge forward / wb : wedge backward
-zf : hashed wedge foward
-zb : hashed wedge backward
+
+(Wedge)
+wf: wedge forward
+wb: wedge backward
+zf: hashed(zebra stripe) wedge foward
+zb: hashed(zebra stripe) wedge backward
<-30,!~wf,!,!~wb,!,!~zf,!,!~zb
\end{verbatim}
\MCFgraph
\vspace{-3mm}%
-\begin{verbatim}
- wf wb zf zb
-\end{verbatim}
%-----------------------------------------------------------------------------
-\subsubsection{Vector}
+%%\subsubsection{Vector}
\index{vf}%
\index{vb}%
\begin{verbatim}
-vf:vector forward / vb:vector backward
+
+(Vector)
+vf:vector forward
+vb:vector backward
<-30,!~vf,!,!~vb
\end{verbatim}
\MCFgraph
\vspace{-3mm}%
-\begin{verbatim}
- vf vb
-\end{verbatim}
%-----------------------------------------------------------------------------
-\subsubsection{Dotted,wave}
+%%\subsubsection{Dotted,wave}
\index{dt}%
\index{wv}%
\index{bd}%
\index{bz}%
\begin{verbatim}
+
+(Dotted,wave)
Bn=bond type : change bond type at Bn
-dt : dotted / wv : wave
-bd : broad / bz : broad dotted
+dt : dotted
+wv : wave
+bd : broad
+bz : broad dotted
<-30,!7,1=dt,3=wv,5=bd,7=bz
\end{verbatim}
\MCFgraph
\vspace{-3mm}%
-\begin{verbatim}
- dt wv bd bz
-\end{verbatim}
%-----------------------------------------------------------------------------
\subsubsection{Change multiple bond type}
\index{vf}%
@@ -448,7 +450,7 @@ attached bond length
\begin{verbatim}
\end{verbatim}
%-----------------------------------------------------------------------------
-\subsubsection{Attached 2 bond}
+\subsubsection{Attached 3 bond}
\begin{verbatim}
(16,4)=?6[3] : fuse 3/6 ring to B16..B4
(16,4)=?5[2] : fuse 2/5 ring to B16..B4
@@ -477,8 +479,6 @@ MC(<-30,?6,{3,10,15}=?6,(21,4)=?6[2])
@4,?5 : add ?5 at A4
<30,!6,@4,?5
-
-@An : jump to An
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
@@ -510,13 +510,9 @@ MC(<-30,?6,{3,10,15}=?6,(21,4)=?6[2])
*/* : wave
** : direct
-<30,!,//O,!2,/*H,!2,*/H,!2,*/*H,!2,**?3,!
+<30,!,//O,!2,*/H,!2,/*H,!2,*/*H,!2,**?3,!
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- // /* */ */* **
-\end{verbatim}
%-----------------------------------------------------------------------------
\index{\textasciicircum}% ^
\index{\textasciitilde}% ~
@@ -664,8 +660,38 @@ MC(<30,?6,{4,6}:/iBuOH)
<30,?6,@3,!4,//O,!,O,n_^60,@(6,1),H,p_^15
\end{verbatim}
\MCFgraph
+%-----------------------------------------------------------------------------
+\subsubsection{Change color}
+\index{red}%
+\index{blue}%
+\index{green}%
+\begin{verbatim}
+(use with metapost only)
+beginfont()
+ MC(<30,Ph,{2,5}:N,3:/NH2,4:/COOH,
+ %---------------------
+ 2:red, % red A2
+ 5:blue, % blue A5
+ 3=green % green B3
+ %---------------------
+ )
+endfont
+\end{verbatim}
+\MCFgraph
+%-----------------------------------------------------------------------------
+\subsubsection{Change font}
+\index{atomfont}%
+\begin{verbatim}
+(use with metapost only)
+beginfont()
+ %----------------
+ atomfont:="cmr8";
+ %----------------
+ MC(<30,Ph,{2,5}:N,3:/NH2,4:/COOH)
+endfont
+\end{verbatim}
+\MCFgraph
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\newpage
\section{Option parameter}
%------------------------------------------------------------------------------
\subsection{Angle parameter}
@@ -766,10 +792,6 @@ fmargin=(10mm,2mm)
default: offset_thickness=0.2pt
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- 0pt 0.2pt 0.5pt
-\end{verbatim}
%-----------------------------------------------------------------------------
\subsubsection{Offset of double bond gap}
\index{offset\_bond\_gap}%
@@ -777,10 +799,6 @@ default: offset_thickness=0.2pt
default: offset_bond_gap=0.3pt
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- 0.0pt 0.3pt 1.0pt
-\end{verbatim}
%-----------------------------------------------------------------------------
\subsubsection{Offset of atom width}
\index{offset\_atom}%
@@ -788,10 +806,6 @@ default: offset_bond_gap=0.3pt
default: offset_atom=0.8pt
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- 0.0pt 0.8pt 2.0pt
-\end{verbatim}
%-----------------------------------------------------------------------------
\subsubsection{Offset of wedge width}
\index{offset\_wedge}%
@@ -799,10 +813,6 @@ default: offset_atom=0.8pt
default: offset_wedge=0.4pt
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- 0.0pt 0.4pt 1.0pt
-\end{verbatim}
%-----------------------------------------------------------------------------
\subsubsection{Max bond length}
\index{max\_blength}%
@@ -810,10 +820,6 @@ default: offset_wedge=0.4pt
default: max_blength=10mm
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- 6mm 8mm 20mm
-\end{verbatim}
%-----------------------------------------------------------------------------
\subsection{Ratio parameter}
%-----------------------------------------------------------------------------
@@ -823,10 +829,6 @@ default: max_blength=10mm
default: ratio_thickness_bond=0.015
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- 0.005 0.015 0.030
-\end{verbatim}
%-----------------------------------------------------------------------------
\subsubsection{Char/bond thickness}
\index{ratio\_char\_bond}%
@@ -834,10 +836,6 @@ default: ratio_thickness_bond=0.015
default: ratio_char_bond=1.5
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- 1.0 1.5 2.0
-\end{verbatim}
%-----------------------------------------------------------------------------
\subsubsection{Bond gap/bond length}
\index{ratio\_bondgap\_bond}%
@@ -845,10 +843,6 @@ default: ratio_char_bond=1.5
default: ratio_bondgap_bond= 0.15
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- 0.10 0.15 0.20
-\end{verbatim}
%-----------------------------------------------------------------------------
\subsubsection{Atom/bond length}
\index{ratio\_atom\_bond}%
@@ -856,10 +850,6 @@ default: ratio_bondgap_bond= 0.15
default: ratio_atom_bond= 0.36
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- 0.25 0.36 0.46
-\end{verbatim}
%-----------------------------------------------------------------------------
\subsubsection{Wedge/bond length}
\index{ratio\_wedge\_bond}%
@@ -867,10 +857,6 @@ default: ratio_atom_bond= 0.36
default: ratio_wedge_bond=0.12
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- 0.10 0.12 0.20
-\end{verbatim}
%-----------------------------------------------------------------------------
\subsubsection{Font atom gap/atom length}
\index{ratio\_atomgap\_atom}%
@@ -878,10 +864,6 @@ default: ratio_wedge_bond=0.12
default: ratio_atomgap_atom= 0.050
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- 0.0 0.050 0.12
-\end{verbatim}
%-----------------------------------------------------------------------------
\subsubsection{Chain/ring length}
\index{ratio\_chain\_ring}%
@@ -889,10 +871,6 @@ default: ratio_atomgap_atom= 0.050
default: ratio_chain_ring= 0.66
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- 0.4 0.65 1.0
-\end{verbatim}
%-----------------------------------------------------------------------------
\subsubsection{Hash gap/bond length}
\index{ratio\_hashgap\_bond}%
@@ -900,12 +878,8 @@ default: ratio_chain_ring= 0.66
default: ratio_hashgap_bond=0.12
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- 0.06 0.12 0.20
-\end{verbatim}
%-----------------------------------------------------------------------------
-\newpage
+%%%%\newpage
%-----------------------------------------------------------------------------
\subsection{Drawing mode}
%-----------------------------------------------------------------------------
@@ -1021,8 +995,6 @@ MC(<30,COOH,!,COOH)
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
-\newpage
-%-----------------------------------------------------------------------------
\subsection{Parameter setting}
\subsubsection{Local parameter setting}
\index{beginfont()}%
@@ -1090,14 +1062,15 @@ MCat(c,d)(....) :
mposition:=(c,d); MC(....)
-c: x axis position d: y axis position
+c: x axis position
+d: y axis position
defaultsize:=5bp;
-fsize:=(40mm,40mm); fmargin:=(3mm,3mm);
-blength:=0.1; sw_fframe:=1;
+fsize:=(60mm,40mm); fmargin:=(3mm,3mm);
+blength:=0.07; sw_fframe:=1;
mangle:=0;
for i=1 step -0.5 until 0:
- for j=0 step 0.5 until 1:
+ for j=0 step 0.33 until 1:
MCat(j,i)(Ph,4:N)
add(drawarrow((A1+A1up**aw)..A1);
label(decimal(mangle),
@@ -1110,30 +1083,28 @@ endfor
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
-\subsection{Function check\_mc()}
-\index{check\_mc()}%
+\subsection{Function check()}
+\index{check()}%
\begin{verbatim}
(immediately compile)
beginfont("EN:Pyridine")
- MC(Ph,<30,2:N)
+ MC(<30,Ph,2:N)
endfont
(check mcf and compile)
-beginfont("EN:Pyridine",":<30,Ph,2:N")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
-endfont
+** check(mc) : error count
-** error in mcf check_mc(mc)>=1
-beginfont("EN:Pyridine",":<30,Ph,2):N")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+beginfont("EN:Pyridine",
+ ":<30,Ph,}2:N") % ** extra '}'
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
\end{verbatim}
\MCFgraph\hspace{22mm}\MCFgraph
\begin{verbatim}
-check_mc(mc)=0 check_mc(mc)>=1
+check(mc)=0 check(mc)>=1
\end{verbatim}
%===============================================================================
\newpage
@@ -1175,7 +1146,7 @@ check_mc(mc)=0 check_mc(mc)>=1
\index{defaultscale}%
\index{labeloffset}%
\begin{verbatim}
-(Add graphic to molecule)
+(Add label to molecule)
w: molecular width
h: molecular height
@@ -1291,7 +1262,7 @@ endfont
\index{ratio\_thickness\_char}%
\index{defaultscale}%
\begin{verbatim}
-(Extra graphic to font)
+(Extra label to font)
w: font width
h: font height
@@ -1401,7 +1372,7 @@ endfont
\section{MCF example}
%-----------------------------------------------------------------------------
\subsection{Luciferin}
-\index{check\_mc()}%
+\index{check()}%
\begin{verbatim}
beginfont("EN:Luciferin","MW:280.33",
%-------------------------------------
@@ -1409,7 +1380,7 @@ beginfont("EN:Luciferin","MW:280.33",
": {9,14}:N,{7,11}:S,1:/OH,-2:*/COOH ")
%-------------------------------------
fsize:=(50mm,20mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
\end{verbatim}
\MCFgraph
@@ -1423,7 +1394,7 @@ beginfont("EN:Colchicine","MW:385.41",
": @9,\,NH,!,//O,! ")
%-------------------------------------
fsize:=(50mm,20mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
\end{verbatim}
\MCFgraph
@@ -1433,7 +1404,7 @@ endfont
beginfont("EN:Paclitaxel","MW:853.91",
%------------------------------------
": ?6,5=dl,@3,#1,36,45,45,45,45,##, ",
- ": &.$5", ",
+ ": &5", ",
": -4=?6,-4=?4,-1=wb,-3=wf,-1:O,||, ",
": 4:??,6:/_,{3^-60,15}:*/OH, ",
": 8:/*H^-60,", ",
@@ -1445,7 +1416,7 @@ beginfont("EN:Paclitaxel","MW:853.91",
": @12,\*^-15,O,60,//O,-60 ")
%------------------------------------
fsize:=(50mm,25mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
\end{verbatim}
\MCFgraph
@@ -1460,7 +1431,7 @@ beginfont("EN:Lycorine","MW:287.31",
": 13:*/OH,14:/*OH ")
%--------------------------------------
fsize:=(50mm,20mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
\end{verbatim}
\MCFgraph
@@ -1476,7 +1447,7 @@ beginfont("EN:Gibberellin A3","MW:346.37",
": 14:*/_,{1,4}:*/H^60 ")
%----------------------------------------
fsize:=(50mm,18mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
\end{verbatim}
\MCFgraph
@@ -1491,7 +1462,7 @@ beginfont("EN:Quinine","MW:324.42",
": @2,165~zf,60,&5~zb ")
%-------------------------------
fsize:=(50mm,20mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
\end{verbatim}
\MCFgraph
@@ -1524,7 +1495,7 @@ beginfont("EN:Ampicillin","MW:349.405", > information
": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ", > mc2
": @4,*\^15,NH,!,//O,!,/*NH2,!,Ph ") > mc3
%---------------------------------------- >
- if check_mc(mc)=0: MC(scantokens(mc)) fi > mc=mc1&mc2&mc3
+ if check(mc)=0: MC(scantokens(mc)) fi > mc=mc1&mc2&mc3
endfont > end font
%------------------------------------------------------------------------
beginfont("EN:Cholesterol","MW:386.65", >information
@@ -1534,7 +1505,7 @@ beginfont("EN:Cholesterol","MW:386.65", >information
": {4,12}:*/_^60, ", > mc3
": @-1,18,/*_,-60,!3,?! ") > mc4
%---------------------------------------- >
- if check_mc(mc)=0: MC(scantokens(mc)) fi > mc=mc1 - mc4
+ if check(mc)=0: MC(scantokens(mc)) fi > mc=mc1 - mc4
endfont > end font
%------------------------------------------------------------------------
beginfont("EN:Limonin", > information
@@ -1546,7 +1517,7 @@ beginfont("EN:Limonin", > information
": {1^60,5^180,16^60}:/*H, ", > mc5
": @14,\*,|,?5,{1,4}=dl,3:O) ") > mc6
%----------------------------------------- >
- if check_mc(mc)=0: MC(scantokens(mc)) fi > mc=mc1 - mc6
+ if check(mc)=0: MC(scantokens(mc)) fi > mc=mc1 - mc6
endfont > end font
%------------------------------------------------------------------------
beginfont("EN:beta-carotene", > information
@@ -1556,7 +1527,7 @@ beginfont("EN:beta-carotene", > information
": {3,7,12,16}:/_, ", > mc3
": |,?6,6=dl,2:??,6:/_) ") > mc4
%------------------------------------------ >
- if check_mc(mc)=0: MC(scantokens(mc)) fi > mc=mc1 - mc4
+ if check(mc)=0: MC(scantokens(mc)) fi > mc=mc1 - mc4
endfont > end font
%------------------------------------------------------------------------
bye
@@ -1657,53 +1628,50 @@ h : font height
\paragraph{(Output)}
\begin{verbatim}
===========================================================================
- No. 1 / Name = Adenine
+ No. 3 / Name = Cytosine
---------------------------------------------------------------------------
- <30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH
+ <30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2
---------------------------------------------------------------------------
- mc length= 46 / mc low= 1
+ row= 1 / length= 37 / commands= 7
+ {}=X = 1 / {}:X = 0 / '() = 0 / @ = 0 / & = 0 / < = 1
---------------------------------------------------------------------------
- Warnings = 0 / Command count= 65
- Width * Height = 44.41766 * 44.96748
- Shift width * height = -2.69456 * -12.02556
+ Warnings = 0 / Code= 60
+ Width * Height = 34.68852 * 47.4036
+ Shift width * height = 0 * -14.46167
Bond length = 12.75589 Atom size = 5.38914
- Atom count= 11 Bond count= 12 Ring count= 2 Hide H count= 2
+ Atom count= 9 Bond count= 9 Ring count= 1 Hide H count= 2
---------------------------------------------------------------------------
< NO. ><atom(s) >( x axis , y axis )<bond><hideH><chg>
A1 C ( 0 , 0 ) 3 1
A2 N ( 0.866 , -0.5 ) 3
A3 C ( 1.732 , 0 ) 4
- A4 C ( 1.732 , 1 ) 4
+ A4 N ( 1.732 , 1 ) 3
A5 C ( 0.866 , 1.5 ) 4
- A6 N ( 0 , 1 ) 3
- A7 N ( 2.683 , -0.309 ) 3
- A8 C ( 3.271 , 0.5 ) 3 1
- A9 N ( 2.683 , 1.309 ) 3
- A10 NH2 ( 0.866 , 2.371 ) 1
- A11 H ( 2.683 , -0.732 ) 1
+ A6 C ( 0 , 1 ) 3 1
+ A7 O ( 2.508 , -0.448 ) 2
+ A8 H ( 0.866 , -0.922 ) 1
+ A9 NH2 ( 0.866 , 2.371 ) 1
---------------------------------------------------------------------------
< NO. >< bond (sdt)><angle +( +- )><length ( pt )>
- B1 1 -> 2 ( 2) 330 ( -30) 1 ( 12.76)
+ B1 1 -> 2 ( 1) 330 ( -30) 1 ( 12.76)
B2 2 -> 3 ( 1) 30 ( 30) 1 ( 12.76)
- B3 3 -> 4 ( 2) 90 ( 90) 1 ( 12.76)
- B4 4 -> 5 ( 1) 150 ( 150) 1 ( 12.76)
- B5 5 -> 6 ( 2) 210 ( -150) 1 ( 12.76)
- B6 6 -> 1 ( 1) 270 ( -90) 1 ( 12.76)
- B7 3 -> 7 ( 1) 342 ( -18) 1 ( 12.76)
- B8 7 -> 8 ( 1) 54 ( 54) 1 ( 12.76)
- B9 8 -> 9 ( 2) 126 ( 126) 1 ( 12.76)
- B10 9 -> 4 ( 1) 198 ( -162) 0.66 ( 8.42)
- B11 5 -> 10 ( 1) 90 ( 90) 0.66 ( 8.42)
- B12 7 -> 11 ( 1) 270 ( -90) 0.36 ( 4.59)
+ B3 3 -> 4 ( 1) 90 ( 90) 1 ( 12.76)
+ B4 4 -> 5 ( 2) 150 ( 150) 1 ( 12.76)
+ B5 5 -> 6 ( 1) 210 ( -150) 1 ( 12.76)
+ B6 6 -> 1 ( 2) 270 ( -90) 1 ( 12.76)
+ B7 3 -> 7 ( 2) 330 ( -30) 0.66 ( 8.42)
+ B8 2 -> 8 ( 1) 270 ( -90) 0.36 ( 4.59)
+ B9 5 -> 9 ( 1) 90 ( 90) 0.66 ( 8.42)
---------------------------------------------------------------------------
<atom>( atom wt )[ mi wt ] < cnt > < sum wt >[ sum mi wt ]
- C ( 12.0107)[ 12] * 5 60.05348[ 60]
+ C ( 12.0107)[ 12] * 4 48.04279[ 48]
H ( 1.00793)[ 1.00783] * 5 5.03967[ 5.03914]
- N ( 14.0067)[ 14.00307] * 5 70.0335[ 70.01534]
- Molecular Weight [Mono Isotopic] = 135.1266[ 135.05447]
+ N ( 14.0067)[ 14.00307] * 3 42.0201[ 42.0092]
+ O ( 15.9994)[ 15.99492] * 1 15.9994[ 15.99492]
+ Molecular Weight [Mono Isotopic] = 111.1019[ 111.04326]
---------------------------------------------------------------------------
- Weight Calc: 135.1266 / Input: 135.13 / weight gap= -0.00336
- Fomula Calc: C5H5N5 / Input:
+ Weight Calc: 111.1019 / Input: 111.10 / weight gap= 0.00195
+ Fomula Calc: C4H5N3O / Input:
===========================================================================
\end{verbatim}%
\newpage
@@ -1791,7 +1759,7 @@ M END
": {1^60,5^180,16^60}:/*H, ",
": @14,\*,|,?5,{1,4}=dl,3:O ")
%----------------------------------------
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
\end{mplibcode}\\
%--------------------------------------------------------------------
@@ -1804,7 +1772,7 @@ M END
": {3,7,12,16}:/_, ",
": |,?6,6=dl,{6,2^35,2^-35}:/_ ")
%------------------------------------------
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
\end{mplibcode}\\
%--------------------------------------------------------------------
@@ -1818,7 +1786,7 @@ M END
": 2:/COOH,7://_,13:*/OH,8:/*OH, ",
": 14:*/_,{1^60,4^60}:*/H ")
%------------------------------------
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont;
%--------------------------------------------------------------------
\end{mplibcode}\\
@@ -1834,11 +1802,11 @@ endfont;
%--------------------------------------------------------------------
\documentclass[a4paper]{article}
\usepackage{graphicx}
+\makeatletter%
%---------------------
\usepackage{mcf_setup}
%---------------------
\pagestyle{empty}
-\makeatletter%
%--------------------------------------------------------------------
\def\put@char{%
\begin{picture}(84,42)%
diff --git a/graphics/mcf2graph/mcf_mplib_exa.pdf b/graphics/mcf2graph/mcf_mplib_exa.pdf
index a643ea23d5..d0d5f833b6 100644
--- a/graphics/mcf2graph/mcf_mplib_exa.pdf
+++ b/graphics/mcf2graph/mcf_mplib_exa.pdf
Binary files differ
diff --git a/graphics/mcf2graph/mcf_mplib_exa.tex b/graphics/mcf2graph/mcf_mplib_exa.tex
index d063f98ab8..3d31e5f4ed 100644
--- a/graphics/mcf2graph/mcf_mplib_exa.tex
+++ b/graphics/mcf2graph/mcf_mplib_exa.tex
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2021.03.07
+% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2021.03.21
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-%%% mcf2graph.mf must be version 4.60
+%%% mcf2graph.mf must be version 4.61
\documentclass{article}
%------------------------------------------------------------------------------
\usepackage{luamplib}%
@@ -33,63 +33,6 @@
Author : Akira Yamaji \quad Date : \today\\
Located at : http://www.ctan.org/pkg/mcf2graph\vspace{2mm}\\
\end{center}
-%----------------------------------------------------------------------------
-\section{Change color}
-\noindent%
-\begin{minipage}[b]{60mm}
-\begin{verbatim}
-(use with metapost only)
-MC(
- <30,Ph,{2,5}:N,3:/NH2,4:/COOH,
- %---------------------
- 2:red, % red A2
- 5:blue, % blue A5
- 3=green % green B3
- %---------------------
- )
-\end{verbatim}
-%----------------------------------------------------------------------------
-\end{minipage}
-\begin{mplibcode}
- fsize:=(70mm,25mm);
- beginfont("EN:Change color")
- max_blength:=8mm;
- sw_label:=1;
- defaultfont:="cmtt10";
- defaultsize:=10bp;
- MC(
- <30,Ph,{2,5}:N,3:/NH2,4:/COOH,
- 2:red,5:blue,3=green
- )
- endfont
-\end{mplibcode}
-%----------------------------------------------------------------------------
-\section{Change font}
-\noindent%
-\begin{minipage}[b]{60mm}
-\begin{verbatim}
-(use with metapost only)
-%----------------
-atomfont:="cmr8";
-%----------------
-MC(
- <30,Ph,{2,5}:N,3:/NH2,4:/COOH
-)
-
-\end{verbatim}
-%----------------------------------------------------------------------------
-\end{minipage}
-\begin{mplibcode}
- fsize:=(70mm,25mm);
- beginfont("EN:Change font")
- max_blength:=8mm;
- sw_label:=1;
- defaultfont:="cmtt10";
- defaultsize:=10bp;
- atomfont:="cmr8";
- MC(<30,Ph,{2,5}:N,3:/NH2,4:/COOH)
- endfont
-\end{mplibcode}
%------------------------------------------------------------------------------------
\section{MCF example}
\noindent%
@@ -104,14 +47,14 @@ MC(
beginfont("NO:1","EN:Chlorophyll a","MW:893.49",
%-----------------------------------------------------------------------
": <54,#1,?5,{2,5}=dl,4:N,@3,\,54~dl,|,?5,{2,4}=dl,5:N, ",
- ": @-2,\,54~dl,|,?5,2=dl,5:N,@-2,\~dl,54,|,?5,5=dl,5:N,@-2,\~dl,&.$5, ",
- ": @-1,24,/*COO!^15,72,//O,&.$1,##,||, ",
+ ": @-2,\,54~dl,|,?5,2=dl,5:N,@-2,\~dl,54,|,?5,5=dl,5:N,@-2,\~dl,&$5, ",
+ ": @-1,24,/*COO!^15,72,//O,&$1,##,||, ",
": {2,9,15,20~zf}:/_,8:/!,14:/!!, ",
": @4,\`1.45,Mg,&17,@-1,&11~vb,@-1,&23~vb, ",
": @21,-6~wf,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_ ")
%-----------------------------------------------------------------------
fsize:=(100mm,50mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
\end{verbatim}
%------------------------------------------------------------------------------------
@@ -119,14 +62,14 @@ endfont
beginfont("NO:1","EN:Chlorophyll a","MW:893.49",
%-----------------------------------------------------------------------
": <54,#1,?5,{2,5}=dl,4:N,@3,\,54~dl,|,?5,{2,4}=dl,5:N, ",
- ": @-2,\,54~dl,|,?5,2=dl,5:N,@-2,\~dl,54,|,?5,5=dl,5:N,@-2,\~dl,&.$5, ",
- ": @-1,24,/*COO!^15,72,//O,&.$1,##,||, ",
+ ": @-2,\,54~dl,|,?5,2=dl,5:N,@-2,\~dl,54,|,?5,5=dl,5:N,@-2,\~dl,&$5, ",
+ ": @-1,24,/*COO!^15,72,//O,&$1,##,||, ",
": {2,9,15,20~zf}:/_,8:/!,14:/!!, ",
": @4,\`1.45,Mg,&17,@-1,&11~vb,@-1,&23~vb, ",
": @21,-6~wf,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_ ")
%-----------------------------------------------------------------------
fsize:=(100mm,50mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
ext(
defaultscale:=0.8;
label.lrt("FM(C): "&cal_FM,(0,h-5mm));
@@ -145,8 +88,8 @@ beginfont("NO:4","EN:Gibberellin A3","MW:346.37",
": @5,40~zf`1,O,60,//O^180,&14~zb, ",
": 2:/COOH,7://_,13:*/OH,8:/*OH,14:*/_,{1,4}:*/H^60 ")
%--------------------------------------------------------
- fsize:=(120mm,20mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ fsize:=(120mm,30mm);
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont;
\end{verbatim}
%----------------------------------------------------------------------------
@@ -157,8 +100,8 @@ beginfont("NO:4","EN:Gibberellin A3","MW:346.37",
": @5,40~zf`1,O,60,//O^180,&14~zb, ",
": 2:/COOH,7://_,13:*/OH,8:/*OH,14:*/_,{1,4}:*/H^60 ")
%--------------------------------------------------------
- fsize:=(120mm,20mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ fsize:=(120mm,30mm);
+ if check(mc)=0: MC(scantokens(mc)) fi
ext(
defaultscale:=0.8;
label.lrt("FM(C): "&cal_FM,(0,h-5mm));
@@ -168,6 +111,7 @@ beginfont("NO:4","EN:Gibberellin A3","MW:346.37",
endfont;
\end{mplibcode}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\newpage
\subsection{Erythromycin}
\noindent%
%----------------------------------------------------------------------------
@@ -177,11 +121,11 @@ beginfont("NO:5","EN:Erythromycin","MW:733.93",
": <30,#1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,##,&1, ",
": 14:O,13:/*Et,{1,9}://O,{2,10}:*/_,{4,6^-35,8,12^35}:/*_, ",
": {6^35,11,12^-35}:*/OH, ",
- ": @.$3,\*,O,30,|,?6`.7,2:O,{3,5^35}:/_,4:/OH,5^-35:/O!, ",
- ": @.$5,\*^30`1.7,O,!,|,?6`.7,6:O,5:/_,2:/OH,3:/N?! ")
+ ": @$3,\*,O,30,|,?6`.7,2:O,{3,5^35}:/_,4:/OH,5^-35:/O!, ",
+ ": @$5,\*^30`1.7,O,!,|,?6`.7,6:O,5:/_,2:/OH,3:/N?! ")
%------------------------------------------------------------------
fsize:=(120mm,35mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont;
\end{verbatim}
%----------------------------------------------------------------------------
@@ -191,11 +135,11 @@ beginfont("NO:5","EN:Erythromycin","MW:733.93",
": <30,#1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,##,&1, ",
": 14:O,13:/*Et,{1,9}://O,{2,10}:*/_,{4,6^-35,8,12^35}:/*_, ",
": {6^35,11,12^-35}:*/OH, ",
- ": @.$3,\*,O,30,|,?6`.7,2:O,{3,5^35}:/_,4:/OH,5^-35:/O!, ",
- ": @.$5,\*^30`1.7,O,!,|,?6`.7,6:O,5:/_,2:/OH,3:/N?! ")
+ ": @$3,\*,O,30,|,?6`.7,2:O,{3,5^35}:/_,4:/OH,5^-35:/O!, ",
+ ": @$5,\*^30`1.7,O,!,|,?6`.7,6:O,5:/_,2:/OH,3:/N?! ")
%------------------------------------------------------------------
fsize:=(120mm,35mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
ext(
defaultscale:=0.8;
label.lrt("FM(C): "&cal_FM,(0,h-5mm));
@@ -216,7 +160,7 @@ beginfont("EN:Paclitaxel","MW:853.918",
": @7,\*,O,-45,//O,60,Ph,11:*/OCO!>rl,12:/*OCO!^-15>lr ")
%---------------------------------------------------------------------
fsize:=(120mm,35mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
\end{verbatim}
%----------------------------------------------------------------------------
@@ -229,7 +173,35 @@ beginfont("EN:Paclitaxel","MW:853.918",
": @7,\*,O,-45,//O,60,Ph,11:*/OCO!>rl,12:/*OCO!^-15>lr ")
%---------------------------------------------------------------------
fsize:=(120mm,35mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
+ ext(
+ defaultscale:=0.8;
+ label.lrt("FM(C): "&cal_FM,(0,h-5mm));
+ label.lrt("MW(C): "&cal_MW,(0,h-9mm));
+ label.lrt("MW(D): "&inf_MW,(0,h-13mm));
+ )
+endfont
+\end{mplibcode}
+%----------------------------------------------------------------------------
+\subsection{Kekulene}
+\noindent%
+\begin{verbatim}
+beginfont("EN:Kekulene","MW:600.7",
+ %-----------------------------------------------------------------------
+ ": <30,Ph,{3,-2,-3,-2,-3,-2,-3,-2,-3,-2}=?6,(-3,6)=?6[3],@-4,&6, ",
+ ": {8,12,14,16,18,22,24,26,28,32,34,36,38,42,44,46,48,52,54,56,58}=dl ")
+ %-----------------------------------------------------------------------
+ fsize:=(120mm,25mm);
+ if check(mc)=0: MC(scantokens(mc)) fi
+endfont
+\end{verbatim}
+%----------------------------------------------------------------------------
+\begin{mplibcode}
+beginfont("EN:Kekulene","MW:600.7",
+ ": <30,Ph,{3,-2,-3,-2,-3,-2,-3,-2,-3,-2}=?6,(-3,6)=?6[3],@-4,&6, ",
+ ": {8,12,14,16,18,22,24,26,28,32,34,36,38,42,44,46,48,52,54,56,58}=dl ")
+ fsize:=(120mm,25mm);
+ if check(mc)=0: MC(scantokens(mc)) fi
ext(
defaultscale:=0.8;
label.lrt("FM(C): "&cal_FM,(0,h-5mm));
@@ -249,7 +221,7 @@ beginfont("NO:6","EN:Vancomycin","MW:1449.25");
fsize:=(150mm,50mm);
MC(<-30,#1,!12,{1,3,12}=zf,7=wf,/H^-60,60,*/OH,60,
Ph,-4:/Cl,@-3,\,O,!,Ph,@-4,\,O,!,Ph,-1^15:/Cl,@-3,\,/*OH,*/H^-60,&1,
- @7,&26,@.$1,60,//O,60,NH,60,/*H,*/COOH^180,-60,
+ @7,&26,@$1,60,//O,60,NH,60,/*H,*/COOH^180,-60,
Ph,{-2,-4}:/OH,@-1,\,Ph,-5:/OH,@-2,&4,##,
{3^40,6,9,12}://O,{2,5,8,11}:NH,{1,4^180}:*/H,{7^-60,10^60,14^60}:/*H,
@10,*\^-60,60,//O,!,NH2,@13,*\,NH,!,//O,!,/??!,*/H^60,!~zf,NH,!,
@@ -263,7 +235,7 @@ beginfont("NO:6","EN:Vancomycin","MW:1449.25");
fsize:=(150mm,45mm);
MC(<-30,#1,!12,{1,3,12}=zf,7=wf,/H^-60,60,*/OH,60,
Ph,-4:/Cl,@-3,\,O,!,Ph,@-4,\,O,!,Ph,-1^15:/Cl,@-3,\,/*OH,*/H^-60,&1,
- @7,&26,@.$1,60,//O,60,NH,60,/*H,*/COOH^180,-60,
+ @7,&26,@$1,60,//O,60,NH,60,/*H,*/COOH^180,-60,
Ph,{-2,-4}:/OH,@-1,\,Ph,-5:/OH,@-2,&4,##,
{3^40,6,9,12}://O,{2,5,8,11}:NH,{1,4^180}:*/H,{7^-60,10^60,14^60}:/*H,
@10,*\^-60,60,//O,!,NH2,@13,*\,NH,!,//O,!,/??!,*/H^60,!~zf,NH,!,
@@ -318,10 +290,10 @@ MC(<55.8,?6,-4=?7 ,{-4,-3,-3,-3}=?6,@-3,\,!3,?6,{-4,-3,-3,-3}=?6,@-3,\,?6,-3=?6,
{6,46,50,53,60,67,74}:*/H^-60,
{9,18,85,93,112,139,143,147}:*/_`1^60,
{80,88,97,115,120,124}:/*_`1^-60,108:*/_`1^-60,
- @.$6,\,|,!11,60~dr,-60,60,OH,2:/*OH,{7,10}:*/OH,{1,3}:*/_,{8~zf,11~dm,12}:/_,
+ @$6,\,|,!11,60~dr,-60,60,OH,2:/*OH,{7,10}:*/OH,{1,3}:*/_,{8~zf,11~dm,12}:/_,
@6,\,O,30,SOO,30,"O{Na}",
- @.$36,-45~zf,O,30,SOO,30,"O{Na}",
- @.$150,\,|,!7,{1,2}:/*OH,4:*/_,5:/*_,7=dl
+ @$36,-45~zf,O,30,SOO,30,"O{Na}",
+ @$150,\,|,!7,{1,2}:/*OH,4:*/_,5:/*_,7=dl
)
ext(
defaultscale:=0.8;
generated by cgit v1.2.3 (git 2.39.1) at 2024-11-03 13:51:16 +0000