diff options
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/README | 4 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf | bin | 260066 -> 259704 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex | 2 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf | 25 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf | bin | 308530 -> 307967 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex | 26 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf | bin | 120942 -> 120942 bytes | |||
| -rw-r--r-- | Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf | 35 |
8 files changed, 47 insertions, 45 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README index fde20ffe328..1c4a5d08512 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/README +++ b/Master/texmf-dist/doc/metapost/mcf2graph/README @@ -1,7 +1,7 @@ ******************************************************************************** mcf2graph : Convert Molecular Coding Format to graphics with Metafont/Metapost Author : Akira Yamaji - version : 3.595 / 2015-08-30 + version : 3.61 / 2015-09-01 E-mail : akira.yamaji5@gmail.com Located at : http://mirror.ctan.org/pkg/graphics/mcf2graph Home page : http://molecoding.cocolog-nifty.com/blog/ @@ -113,4 +113,4 @@ ver. 3.57 / 2015-08-14 improve AUX file format ver. 3.58 / 2015-08-18 improve calculation of molecular formula and weight ver. 3.59 / 2015-08-23 update MCF syntax manual - ver. 3.595 / 2015-08-30 update MCF syntax manual 2 + ver. 3.61 / 2015-09-01 fix bug in local setting of font_wd# and font_ht# diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf Binary files differindex 97e771ce0ac..c2943bbf6fe 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex index 718e9f64326..7a00b00389f 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2015.8.28 +% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2015.8.31 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage{graphicx} diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf index 043880f96a4..2c0ab56fa5e 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf @@ -203,7 +203,8 @@ endfont %*********************************************************************** beginfont("EN:Chain start multi characters") % sw_start_vector:=1; - MCf(^^30,COOH,!0,!,/OH^-30,/COOH^30,!2,COOH) + MCd(1,1)(0,.9)(^^30,COOH,!0,!3,COOH) + MCd(.8,1)(.3,.1)(^^30,COOH,!4,COOH) endfont %*********************************************************************** beginfont("EN:User definition") @@ -263,16 +264,14 @@ beginfont("EN:Gibberellin A3"); ) endfont %*********************************************************************** -font_wd#:=30mm#;% -font_ht#:=20mm#;% beginfont("EN:Font size") + font_wd#:=30mm#;% + font_ht#:=20mm#;% sw_font_frame:=1; MCf(^^30, ?6,-4=??5,$(3,8)dl,@(2,6,7,9)N, @(2,6,9)/Me,@(1,5)//O) endfont -font_wd#:=60mm#; -font_ht#:=30mm#; %*********************************************************************** beginfont("EN:max_bond_width") sw_mol_frame:=1; @@ -294,9 +293,9 @@ beginfont("EN:ratio_thickness_bond") endfont %*********************************************************************** beginfont("EN:offset_thickness") - offset_thickness#:=0.0pt#; MCd(1,.3)( 0,0.5)(^^30,Ph) endfont + offset_thickness#:=0.0pt#; MCd(1,.3)(.1,0.5)(^^30,Ph) endfont beginfont() offset_thickness#:=0.2pt#; MCd(1,.3)(.5,0.5)(^^30,Ph) endfont -beginfont() offset_thickness#:=0.5pt#; MCd(1,.3)( 1,0.5)(^^30,Ph) endfont +beginfont() offset_thickness#:=0.5pt#; MCd(1,.3)(.9,0.5)(^^30,Ph) endfont %*********************************************************************** beginfont("EN:ratio_char_bond") ratio_char_bond:=1.0; @@ -317,11 +316,11 @@ beginfont("EN:ratio_bondgap_bond") endfont %*********************************************************************** beginfont("EN:offset_bond_gap") offset_bond_gap#:=0.0pt#; -MCd(1,.3)(0, .5)(^^30,Ph) endfont +MCd(1,.3)(.1, .5)(^^30,Ph) endfont beginfont() offset_bond_gap#:=0.3pt#; %<<== default MCd(1,.3)(.5, .5)(^^30,Ph) endfont beginfont() offset_bond_gap#:=1.0pt#; -MCd(1,.3)(1, .5)(^^30,Ph) endfont +MCd(1,.3)(.9, .5)(^^30,Ph) endfont %*********************************************************************** beginfont("EN:ratio_atom_bond") ratio_atom_bond:=0.25; @@ -333,11 +332,11 @@ beginfont("EN:ratio_atom_bond") endfont %*********************************************************************** beginfont("EN:offset_atom") offset_atom#:=0.0pt#; -MCd(1,.3)(0, .5)(^^30,?6,@(2,5)O) endfont +MCd(1,.3)(.1, .5)(^^30,?6,@(2,5)O) endfont beginfont() offset_atom#:=0.8pt#; %<<== default MCd(1,.3)(.5, .5)(^^30,?6,@(2,5)O) endfont beginfont() offset_atom#:=2.0pt#; -MCd(1,.3)(1, .5)(^^30,?6,@(2,5)O) endfont +MCd(1,.3)(.9, .5)(^^30,?6,@(2,5)O) endfont %*********************************************************************** beginfont("EN:ratio_wedge_bond") ratio_wedge_bond:=0.1; @@ -349,11 +348,11 @@ beginfont("EN:ratio_wedge_bond") endfont %*********************************************************************** beginfont("EN:offset_wedge") offset_wedge#:=0.0pt#; -MCd(1,.3)(0, .5)(^^30,?6,5:*/Me) endfont +MCd(1,.3)(.1, .5)(^^30,?6,5:*/Me) endfont beginfont() offset_wedge#:=0.4pt#; %<<== default MCd(1,.3)(.5, .5)(^^30,?6,5:*/Me) endfont beginfont() offset_wedge#:=1.0pt#; -MCd(1,.3)(1, .5)(^^30,?6,5:*/Me) endfont +MCd(1,.3)(.9, .5)(^^30,?6,5:*/Me) endfont %*********************************************************************** beginfont("EN:ratio_atomgap_atom") sw_atom_frame:=1; diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf Binary files differindex 45889b0718a..1c7c00b00a9 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex index 62429c969d3..6fff0e21405 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format manual by Akira Yamaji 2015.8.30 +% Molecular Coding Format manual by Akira Yamaji 2015.9.1 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage[dvipdfmx]{graphicx} @@ -24,17 +24,17 @@ \def\MCFtitle#1{\framebox{\sf No.\the\tempnum}\hspace{2mm}\bf #1} %---------------------------------------------------------------------------- \def\MCFstru{% - \rlap{\makebox(75,0)[t]{\makebox(70,35){\@strufont\char\fontnum}}}% + \rlap{\makebox(77,0)[t]{\makebox(68,33){\@strufont\char\fontnum}}}% \advance\fontnum\@ne\relax}% \def\MCFstructure{% - \makebox(75,0)[t]{\frame{\makebox(70,35){\@strufont\char\fontnum}}}% + \makebox(77,0)[t]{\frame{\makebox(68,33){\@strufont\char\fontnum}}}% \advance\fontnum\@ne\relax\advance\tempnum\@ne\relax}% %---------------------------------------------------------------------------- \begin{document} \noindent% \begin{picture}(180,0) \put(25,12){{\LARGE Molecular Coding Format manual}\hspace{10mm} - by Akira Yamaji 2015.8.30} + by Akira Yamaji 2015.9.1} \end{picture}\vspace{-4.2mm}\\ %---------------------------------------------------------------------------- \begin{minipage}[t][38mm]{100mm} @@ -461,10 +461,12 @@ $(3)red : change color of B3 red \begin{minipage}[t][38mm]{100mm} \MCFtitle{Chain start multiple characters} \begin{verbatim} -Use !0 instead of !, -if begin with multi charactor string +if chain start multi charactor string, +use !0 instead of ! - ^^30,COOH,!0,!,/OH^-30,/COOH^30,!2,COOH + MCd( 1,1)(0 ,0.9)(^^30,COOH,!0,!3,COOH) + + MCd(.8,1)(0.3,0.1)(^^30,COOH,!4,COOH) \end{verbatim} \end{minipage} \MCFstructure @@ -578,9 +580,9 @@ Insert user defined substructure \begin{minipage}[t][38mm]{100mm} \MCFtitle{Font size} \begin{verbatim} - font_wd#:=30mm#; - font_ht#:=20mm#; beginfont("EN:Caffeine") + font_wd#:=30mm#; %<==font width + font_ht#:=20mm#; %<==font height sw_font_frame:=1; MCf(^^30,?6,-4=??5,$(3,8)dl,@(2,6,7,9)N, @(2,6,9)/Me,@(1,5)//O) @@ -957,7 +959,7 @@ beginfont("NO:3") \begin{verbatim} beginfont() sw_info_weight:=sw_info_formula:=1; MCf(...) endfont -%% Output to mcf_man_soc_info.aux %% +%% Output to mcf_man_soc-info.aux %% \INFO{{F:mcf_man_soc}{C:82}{MWc:194.19174} {FMc:C8H10N4O2}}% MWc:calculated molecular weight @@ -972,9 +974,9 @@ FMc:calculated molecular formula \begin{verbatim} beginfont("EN:Caffeine","CAS:58-08-2") MCf(...) endfont -%% Output to mcf_man_soc_info.aux %% +%% Output to mcf_man_soc-info.aux %% \INFO{{F:mcf_man_soc}{C:83}{EN:Caffeine} - {CAS:111-111-111}}% + {CAS:58-08-2}}% *F:filename *C:char number EN:molecular name CAS:CAS number *:default output \end{verbatim} diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf Binary files differindex d7ab27f6662..16298f169c3 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf index ae32d1dd010..c7beb8ad15a 100644 --- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf +++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% mcf2graph ver 3.595 Copyright (c) 2013-2015 Akira Yamaji +% mcf2graph ver 3.61 Copyright (c) 2013-2015 Akira Yamaji % % Permission is hereby granted, free of charge, to any person obtaining a copy of this software % and associated documentation files (the "Software"), to deal in the Software without restriction, @@ -30,7 +30,7 @@ % Set output checklist : mpost -s ahlength=2 FILENAME %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% tracingstats:=1; -message " This is mcf2graph ver 3.5 2015.8 "; +message " This is mcf2graph ver 3.6 2015.9 "; newinternal com,par,cntA,cntB,adrS,adrA,adrB,dx,nX,i,u,j,k,v,xp,yp,nA,nB; %------------------------------------------------------------------------------------------------- pair posB[],posA[],pairT,Ls,Le,pairA; @@ -45,7 +45,7 @@ picture atom_font[],chem_structure,temp_picture; sw_numberA:=sw_numberB:=sw_mol_frame:=sw_logout:=sw_solid:=sw_expand:=sw_start_vector:=0; sw_font_frame:=sw_atom_frame:=sw_checklist:=sw_MOLfile:=0; sw_info_file:=sw_info_char:=1; sw_info_lenx:=sw_info_leny:=sw_info_weight:=sw_info_formula:=0; -char_num:=str_cnt:=size_changed:=proc_end:=0; +char_num:=str_cnt:=proc_end:=0; if known green: f_MP:=1; mp_log_name:=jobname&"-info.aux"; if ahlength=1: proc_end:=1; fi % first molecular only @@ -74,7 +74,7 @@ margin_left_right:=margin_top_bottom:=0.4mm; ratio_chain_ring:= 0.66; ratio_a ratio_thickness_bond:=0.015; offset_atom#:=0.8pt#; max_bond_width:=0.25; ratio_char_bond:=1.5; ratio_bondgap_bond:=0.15; ratio_zebragap_bond:=0.12; ratio_zebra_black:=0.4; ratio_wedge_bond:=0.12; ratio_atomgap_atom:=.050; -offset_thickness#:=0.2pt#; offset_bond_gap#:=0.3pt#; offset_zebra_gap#:=0.1pt#; +offset_thickness#:=0.2pt#; offset_bond_gap#:=0.3pt#; offset_zebra_gap#:=0.1pt#; offset_wedge#:=0.4pt#; par_s=ASCII("{"); par_e=ASCII("}"); score_u=ASCII("_"); hat=ASCII("^"); max_info_num:=12; for i:=1 upto max_info_num: info[i]:=":"; endfor @@ -86,8 +86,8 @@ def_com(-4000)(_term,_jp_atom,_jp_atom_abs,_jp_bond,_cyc,_cyc_sB,_cyc_eB,_set_li def_com(1)(si,dl,dr,dm,tm,wf,wb,bd,zf,zb,ov,dt,no,ar,vf,vb,wv,nl); %------------------------------------------------------------------------------------------------- def parameter_list= - sw_checklist,sw_numberA,sw_numberB,sw_mol_frame,sw_logout,sw_solid,sw_expand, - sw_MOLfile,sw_start_vector,sw_atom_frame,sw_font_frame, + sw_checklist,sw_numberA,sw_numberB,sw_mol_frame,sw_logout,sw_solid,sw_expand,sw_MOLfile, + sw_start_vector,sw_atom_frame,sw_font_frame, margin_left_right,margin_top_bottom,ratio_atom_bond,ratio_thickness_bond,ratio_char_bond, ratio_chain_ring,offset_atom,offset_atom#,max_bond_width,ratio_bondgap_bond,ratio_zebra_black, ratio_zebragap_bond,ratio_wedge_bond,ratio_atomgap_atom,offset_wedge,offset_wedge#, @@ -95,22 +95,22 @@ def parameter_list= offset_thickness,offset_thickness# enddef; %------------------------------------------------------------------------------------------------- -nA:=0; for list=parameter_list: st_p[incr nA]:=list; endfor -def store_par(text t)= nA:=0; for list=t: if st_p[incr nA]<>list: st_p[nA]:=list; fi endfor enddef; +nA:=0; for list=parameter_list: stock_p[incr nA]:=list; endfor +def store_par(text t)= + nA:=0; for list=t: if stock_p[incr nA]<>list: stock_p[nA]:=list; fi endfor enddef; def restore_par(text t)= nA:=0; - forsuffixes list=t: if list<>st_p[incr nA]: list:=st_p[nA]; fi endfor + forsuffixes list=t: if list<>stock_p[incr nA]: list:=stock_p[nA]; fi endfor enddef; %------------------------------------------------------------------------------------------------- def beginfont(text s)= - mol_name:=mol_formula:=""; len_x:=len_y:=cntA:=info_num:=mol_weight:=0; - store_par(parameter_list); - ratio_bond_width:=1mm#/font_wd#; + mol_name:=mol_formula:=""; len_x:=len_y:=cntA:=info_num:=mol_weight:=f_beginchar:=0; + store_par(parameter_list); stock_wd#:=font_wd#; stock_ht#:=font_ht#; + ratio_bond_width:=1/30; for list=s: info_num:=info_num+1; info[info_num]:=list; if substring (0,2) of list="EN": mol_name:=substring (3,length(list)) of list; fi if substring (0,2) of list="FM": mol_formula:=substring (3,length(list)) of list; fi if substring (0,2) of list="MW": mol_weight:=scantokens(substring (3,length(list)) of list); fi endfor - beginchar(char_num,font_wd#,font_ht#,0); clearit; enddef; %------------------------------------------------------------------------------------------------- def endfont= @@ -119,10 +119,10 @@ def endfont= if sw_logout=1: logfile_out; fi if sw_checklist=1: checklist_out; fi if sw_MOLfile=1: MOL_out; fi - char_num:=char_num+1; currentpicture:=chem_structure; chem_structure:=nullpicture; - restore_par(parameter_list); - if size_changed=1: font_wd#:=stock_wd#; font_ht#:=stock_ht#; size_changed:=0; fi - endchar; + if f_beginchar=1: + char_num:=char_num+1; currentpicture:=chem_structure; chem_structure:=nullpicture; + endchar; fi + restore_par(parameter_list); font_wd#:=stock_wd#; font_ht#:=stock_ht#; if proc_end=1: scantokens("bye"); fi enddef; %------------------------------------------------------------------------------------------------- @@ -289,6 +289,7 @@ def AUX(expr a,b)(text s)=s addto chem_structure also currentpicture shifted(a,b def MCf(text s)= MCd(1,1)(.5,.5)(s); enddef; %------------------------------------------------------------------------------------------------- def MCd(expr RW,RH)(expr FW,FH)(text s)= + if f_beginchar=0: beginchar(char_num,font_wd#,font_ht#,0); clearit; f_beginchar:=1; fi mc_num:=user_def_number; ab_num:=ab_def_number; chainRT:=-ratio_chain_ring; adrA:=adrB:=cntA:=cntB:=adrS:=cntPS:=angA[0]:=angB[0]:=br_ang[0]:=sB[0]:=cntC:=cntP:=0; stkA[0]:=stkB[0]:=stkL[0]:=stkM[0]:=strAT:=f_lineT:=f_lenT:=f_envT:=f_rotT:=0; |