diff options
author | Karl Berry <karl@freefriends.org> | 2016-02-15 22:12:27 +0000 |
---|---|---|
committer | Karl Berry <karl@freefriends.org> | 2016-02-15 22:12:27 +0000 |
commit | 1bcffdf948f1e58b348b76c3faae232242d01da3 (patch) | |
tree | 3054812196a17eb83458cb746fdd6465b834cf9a /Master/texmf-dist/doc/metapost | |
parent | c83d372fcf897fdd6cda8a02c32295bed1bd5974 (diff) |
mcf2graph (14feb16)
git-svn-id: svn://tug.org/texlive/trunk@39732 c570f23f-e606-0410-a88d-b1316a301751
Diffstat (limited to 'Master/texmf-dist/doc/metapost')
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG | 12 | ||||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/README | 14 | ||||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf | bin | 248202 -> 248283 bytes | |||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf | 44 | ||||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf | bin | 399538 -> 413109 bytes | |||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex | 129 | ||||
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf | bin | 123803 -> 123964 bytes |
7 files changed, 143 insertions, 56 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG index 4438f54eeae..130f3154e14 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG +++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG @@ -1,10 +1,14 @@ ******************************************************************************* - Changelog of mcf2graph software package by Akira Yamaji 2016-02-11 + Changelog of mcf2graph software package by Akira Yamaji 2016-02-14 ******************************************************************************* +[ver. 3.82 / 2016-02-14] + -add new commands ~~,^^,'`,:> + -update MCF syntax manual + [ver. 3.81 / 2016-02-11] - add parameter sw_subst_off,sw_bond_single - delete constant _skeltonA_end - update MCF syntax manual + -add parameter sw_subst_off,sw_bond_single + -delete constant _skeltonA_end + -update MCF syntax manual [ver. 3.80 / 2016-02-06] add new command || , divide CHANGELOG from README diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README index 2c4e2da7d64..f50389d66f8 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 : 3.81 2016-02-11 + version : 3.82 2016-02-14 E-mail : mcf2graph@gmail.com Located at : http://www.ctan.org/pkg/mcf2graph ******************************************************************************** @@ -30,12 +30,12 @@ (12) mcf_example.pdf PDF of (11) typeset with LuaTeX(LuaLaTeX) 3. How to use mcf2graph with Metapost - ( 1) >mpost -s ahangle=0 FILENAME output no graphic file. - ( 2) >mpost -s ahangle=1 FILENAME output PNG file. (default value is eps) - ( 3) >mpost -s ahangle=2 FILENAME output SVG file. - ( 4) >mpost -s ahangle=3 FILENAME output MDL Molfile(V2000) - ( 5) >mpost -s ahlength=1 FILENAME output first definition only (for test) - ( 6) >mpost -s ahlength=2 FILENAME output checklist. + ( 1) >mpost -s ahangle=0 FILENAME => output no graphic file. + ( 2) >mpost -s ahangle=1 FILENAME => output PNG file. (default 0:eps) + ( 3) >mpost -s ahangle=2 FILENAME => output SVG file. + ( 4) >mpost -s ahangle=3 FILENAME => output MDL Molfile(V2000) + ( 5) >mpost -s ahlength=1 FILENAME => output first definition only (for test) + ( 6) >mpost -s ahlength=2 FILENAME => output checklist. 4. Molecular definition file example 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 2c35bab4ff4..0620c09a39c 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf index f8c5c68f772..8b05f557ab1 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2016.02.11 +% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2016.02.14 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% input mcf2graph.mf; %------------------------------------------------------------------------ @@ -13,6 +13,20 @@ sw_expand:=0; sw_start_vector:=0; %%%%%sw_checklist:=1; %*********************************************************************** +beginfont("NO:1","EN:Chlorophyll a","MW:893.49","FM:C55H72MgN4O5") + sw_info_weight:=sw_info_formula:=1; + font_wd#:=110mm#; + font_ht#:=40mm#; + MCf(<54, + {,``1,?5,$(2,5)d,4:N,3\,54~dl,|,?5,$(2,4)d,5:N, + -2\,54~dl,|,?5,2=d,5:N,-2\~dl,54,|,?5,5=d,5:N,-2\~dl,, + -1*,24,/*COOMe^15,72,//O,,}, + 4\`1.45,Mg,&17,-1*,&11~vb,-1*,&23~vb, + @(2,9,15,20~zf)/Me,8:/Et,14\,!~dr, + 21*,-6~wf,!2,//O,!,O,!2,!~dl,|,!13,@(1,5,9,13)/Me, + ) +endfont +%*********************************************************************** beginfont("EN:Chain") sw_numberB:=1; max_bond_width:=0.20; @@ -53,12 +67,12 @@ beginfont("EN:Branch") MCf(<30,!6,3\,!) endfont %*********************************************************************** -beginfont("EN:Connect") +beginfont("EN:Connect bond") sw_numberA:=1; max_bond_width:=0.20; ratio_chain_ring:=1; sw_start_vector:=1; - MCf(<30,!6,3*,0,!,&5) + MCf(<30,!6,3\,-60,&5) endfont %*********************************************************************** beginfont("EN:ring") @@ -79,7 +93,12 @@ endfont %*********************************************************************** beginfont("EN:change bond 2") ratio_chain_ring:=1; - MCf(<30,!9,1=vf,2=vb,3=tm,4=dt,5=wv,@(7~bd^-45`2,9~ov^45`2)/Me) + MCf(<30,!5,1=vf,2=vb,3=tm,4=dt,5=wv) +endfont +%*********************************************************************** +beginfont("EN:change bond 3") + ratio_chain_ring:=1; + MCf(<30,!5,@(3~bd^-45`2,5~ov^45`2)/Me) endfont %*********************************************************************** beginfont("EN:change bond length1") @@ -204,7 +223,7 @@ endfont %*********************************************************************** beginfont("EN:substituent 3") sw_start_vector:=1; - MCf(<30,!`1,/Me~zf`2^30,!`1,/Me~zf`2^30,!2`1,*/Pr>lr,!2`1,*/Pr>rl,!`1) + MCf(<30,``1,!,/Me~zf`2^30,!,/Me~zf`2^30,!2,*/Pr>lr,!2,*/Pr>rl,!) endfont %*********************************************************************** beginfont("EN:substituent 3") @@ -489,15 +508,16 @@ endfont %*********************************************************************** beginfont("EN:Local setting") sw_mol_frame:=1; - MCd(1,.5)(0.0,0.5)(<30,Ph) endfont -beginfont() MCd(1,.5)(0.5,0.5)(<30,Ph) endfont -beginfont() MCd(1,.5)(1.0,0.5)(<30,Ph) endfont + MCd(1,.4)(0.0,0.5)(Ph) +endfont +beginfont() MCd(1,.4)(0.5,0.5)(Ph) endfont +beginfont() MCd(1,.4)(1.0,0.5)(Ph) endfont %*********************************************************************** sw_mol_frame:=1; beginfont("EN:Global setting") - MCd(1,.5)(0.0,0.5)(<30,Ph) endfont -beginfont() MCd(1,.5)(0.5,0.5)(<30,Ph) endfont -beginfont() MCd(1,.5)(1.0,0.5)(<30,Ph) endfont + MCd(1,.4)(0.0,0.5)(Ph) endfont +beginfont() MCd(1,.4)(0.5,0.5)(Ph) endfont +beginfont() MCd(1,.4)(1.0,0.5)(Ph) endfont sw_mol_frame:=0; %*********************************************************************** %% Output molecular infomation @@ -581,3 +601,5 @@ beginfont("EN:Paclitaxel") endfont %*********************************************************************** bye +************** +bye 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 da4094c8854..8be62682353 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 3500652d6c7..638ec41081b 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 2016.02.11 +% Molecular Coding Format manual by Akira Yamaji 2016.02.14 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage[dvipdfmx]{graphicx} @@ -14,7 +14,7 @@ %---------------------------------------------------------------------------- \newcount \fontnum% \newcount \tempnum% -\fontnum=0% +\fontnum=1% \tempnum=1% %---------------------------------------------------------------------------- \font\@strufont=mcf_man_soc\relax% @@ -45,6 +45,53 @@ \linethickness{0.08mm}% \noindent% %---------------------------------------------------------------------------- +{\bf (Molecular definition file)}\vspace{1mm}\\ +\begin{minipage}[t][118mm]{180mm} +\begin{verbatim} +%------------------------------------------------------------------------- +input mcf2graph.mf; % input macro +%------------------------------------------------------------------------- +sw_font_frame:=0; % font frame off % +font_wd#:=60mm#; % font width % Gloval setting +font_ht#:=40mm#; % font height % +%------------------------------------------------------------------------- +beginfont("NO:1","EN:Chlorophyll a","MW:893.49") % begin font(information) + %----------------------------------------------------------------------- + sw_font_frame:=1; % font frame on % + font_wd#:=120mm#; % font width % Local setting + font_ht#:=80mm#; % font height % + %----------------------------------------------------------------------- + MCf( % begin MCF + <54,{,``1,?5,$(2,5)d,4:N,3\,54~dl, % + |,?5,$(2,4)d,5:N, % + -2\,54~dl,|,?5,2=d,5:N,-2\~dl,54, % + |,?5,5=d,5:N,-2\~dl,, % + -1*,24,/*COOMe^15,72,//O,,}, % + 4\`1.45,Mg,&17,-1*,&11~vb,-1*,&23~vb, % + @(2,9,15,20~zf)/Me,8:/Et,14\,!~dr, % + 21*,-6~wf,!2,//O,!,O,!2,!~dl, % + |,!13,@(1,5,9,13)/Me, % + ) % end MCF +endfont % end font +%------------------------------------------------------------------------ +bye +\end{verbatim} +\end{minipage}\\ +%---------------------------------------------------------------------------- +{\bf (Molecular structure diagram)}\vspace{3mm}\\ + \frame{\makebox(100,44){\@strufont\char0}}\vspace{6mm}\\ +%---------------------------------------------------------------------------- +{\bf (Molecular information output)}\vspace{3mm}\\ +\begin{minipage}[t][12mm]{180mm} +\begin{verbatim} +\INFO{{F:mcf_man_soc}{C:0}{MWc:893.48962}{FMc:C55H72MgN4O5} + {NO:1}{EN:Chlorophyll a}{MW:893.49}}% +\end{verbatim} +\end{minipage}\\ +'filename'-info.aux : for use in \TeX{ },it takes over filename, char number, molecular information,etc.\\ +F:filename C:char number,MWc:molecular weight calculated, FMc:molecular formula calculated\\ +NO:serial number, EN:english name, MW:molecular weight from literature data\\ +%---------------------------------------------------------------------------- \begin{minipage}[t][38mm]{90mm} \MCFtitle{Chain(1)} \begin{verbatim} @@ -74,10 +121,11 @@ plus(+):anticlockwize,minus(-):clockwize \begin{minipage}[t][38mm]{90mm} \MCFtitle{Chain(3)} \begin{verbatim} -!6 : !,!,!,!, !,! +!6 : !,!,!,!,!,! <30,!6 +** !n(0<=n<=20) \end{verbatim} \end{minipage} \MCFstructure @@ -90,6 +138,7 @@ plus(+):anticlockwize,minus(-):clockwize <30,!6,3*,0,! +** An(-999<=n<=4095): atom number \end{verbatim} \end{minipage} \MCFstructure @@ -112,7 +161,7 @@ plus(+):anticlockwize,minus(-):clockwize \begin{verbatim} &5 : Connect to A5 - <30,!6,3\,!,&5 + <30,!6,3\,-60,&5 \end{verbatim} \end{minipage} @@ -127,6 +176,7 @@ six membered ring ?6 ** ?6 : <-120,60,60,60,60,60,&1 + ** ?n(3<=n<=20) \end{verbatim} \end{minipage} \MCFstructure @@ -137,8 +187,7 @@ six membered ring \begin{verbatim} <angle : rotate current angle - <30,!4,<30,?6 - + <30,!4,<30,?6 \end{verbatim} \end{minipage} \MCFstructure @@ -148,9 +197,10 @@ six membered ring \MCFtitle{Change bond type (1)} \begin{verbatim} ~bond : change bond - dm:double,dl:double left,dr:double right, - wf:wedge forward,wb:wedge backward, - zf:wedge dotted,zb:wedge dotted backward + dm:double, + dl:double left side, dr:double right side, + wf:wedge forward, wb:wedge backward, + zf:wedge dotted, zb:wedge dotted backward <30,!~dm,!~dl,!~dr,!~wf,!~wb,!~zf,!~zb \end{verbatim} @@ -162,12 +212,22 @@ six membered ring \MCFtitle{Change bond type (2)} \begin{verbatim} Bn=bond type : change bond type at Bn - vf:vector forward, vb:vector backward, - tm:triple, wv:waved, bd:broad single, - ov:over line + vf : vector forward, vb : vector backward + tm : triple, dt : dotted, wv : wave - <30,!9,1=vf,2=vb,3=tm,4=dt,5=wv, - @(7~bd^-45`2,9~ov^45`2)/Me + <30,!5,1=vf,2=vb,3=tm,4=dt,5=wv +\end{verbatim} +\end{minipage} +\MCFstructure +\vspace{5mm}\\ +%----------------------------------------------------------------------------- +\begin{minipage}[t][38mm]{90mm} +\MCFtitle{Change bond type (3)} +\begin{verbatim} + bd : broad single + ov : over line + + <30,!5,@(3~bd^-45`2,5~ov^45`2)/Me \end{verbatim} \end{minipage} \MCFstructure @@ -225,7 +285,6 @@ Insert hetero atom <30,!6,2:O,@(3,5)N -** An(-999<=n<=4095): atom number \end{verbatim} \end{minipage} \MCFstructure @@ -416,8 +475,9 @@ MCf(<30,!,//O,!,/*H,!,*/H,!,/?3,!,**?3,!) ~,^,`,> : change type,angle,length,enviroment of substituent -MCf(<30,!`1,/Me~zf`2^30,!`1,/Me~zf`2^30, - !2`1,*/Pr>lr,!2`1,*/Pr>rl,!`1) +MCf(<30,``1, + !,/Me~zf`2^30,!,/Me~zf`2^30, + !2,*/Pr>lr,!2,*/Pr>rl,!) \end{verbatim} \end{minipage} @@ -429,7 +489,8 @@ MCf(<30,!`1,/Me~zf`2^30,!`1,/Me~zf`2^30, \begin{verbatim} sw_numberA:=1; numberA_end:=12; MCf(<30,!11, - 2:/Me,3:/Et,6:/Pr,7:/iPr,10:/tBu,11:/Ph^-30) + 2:/Me,3:/Et,6:/Pr,7:/iPr, + 10:/tBu,11:/Ph^-30) \end{verbatim} \end{minipage} @@ -803,7 +864,7 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \vspace{5mm}\\ %----------------------------------------------------------------------------- \begin{minipage}[t][38mm]{90mm} -\MCFtitle{Switch Numbering atom} +\MCFtitle{Switch numbering atom} \begin{verbatim} numberA_start:=3; numberA_end:=8; @@ -818,7 +879,7 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \vspace{5mm}\\ %----------------------------------------------------------------------------- \begin{minipage}[t][38mm]{90mm} -\MCFtitle{Switch Numbering bond} +\MCFtitle{Switch numbering bond} \begin{verbatim} numberB_start:=3; numberB_end:=8; @@ -973,13 +1034,12 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \begin{minipage}[t][38mm]{90mm} \MCFtitle{Local setting} \begin{verbatim} -beginfont("NO:1") +beginfont() sw_mol_frame:=1; % <<== Local setting - MCd(1,.5)(0.0,0.5)(<30,Ph) endfont -beginfont("NO:2") - MCd(1,.5)(0.5,0.5)(<30,Ph) endfont -beginfont("NO:3") - MCd(1,.5)(1.0,0.5)(<30,Ph) endfont + MCd(1,.4)( 0,.5)(Ph) +endfont +beginfont() MCd(1,.4)(.5,.5)(Ph) endfont +beginfont() MCd(1,.4)( 1,.5)(Ph) endfont \end{verbatim} \end{minipage} \MCFstru\MCFstru\MCFstructure% @@ -989,19 +1049,16 @@ beginfont("NO:3") \MCFtitle{Global setting} \begin{verbatim} sw_mol_frame:=1; % <<== Global setting -beginfont("NO:1") - MCd(1,.5)(0.0,0.5)(<30,Ph) endfont -beginfont("NO:2") - MCd(1,.5)(0.5,0.5)(<30,Ph) endfont -beginfont("NO:3") - MCd(1,.5)(1.0,0.5)(<30,Ph) endfont +beginfont() MCd(1,.4)( 0,.5)(Ph) endfont +beginfont() MCd(1,.4)(.5,.5)(Ph) endfont +beginfont() MCd(1,.4)( 1,.5)(Ph) endfont \end{verbatim} \end{minipage} \MCFstru\MCFstru\MCFstructure% \vspace{5mm}\\ %----------------------------------------------------------------------------- \begin{minipage}[t][38mm]{90mm} -\MCFtitle{Output molecular infomation} +\MCFtitle{Output molecular information} \begin{verbatim} beginfont() sw_info_weight:=sw_info_formula:=1; MCf(...) endfont @@ -1016,7 +1073,7 @@ FMc:calculated molecular formula \vspace{5mm}\\ %----------------------------------------------------------------------------- \begin{minipage}[t][38mm]{90mm} -\MCFtitle{Output additional infomation} +\MCFtitle{Output additional information} \begin{verbatim} beginfont("EN:Caffeine","CAS:58-08-2") MCf(...) endfont @@ -1156,3 +1213,7 @@ CAS:CAS number *:default output \MCFstructure %----------------------------------------------------------------------------- \end{document} +- +\end{document} +d{document} +nd{document} 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 47acb726a25..6c9756b64af 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf |