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authorKarl Berry <karl@freefriends.org>2016-08-21 21:41:46 +0000
committerKarl Berry <karl@freefriends.org>2016-08-21 21:41:46 +0000
commitf167632e77743ca0800df913dbe56c6f032ffbaf (patch)
treeb58606fc19b4dd827ab7c1bddff5542c543b4415
parent61f034941d65cf39d29d8b935d96af5bd35d72b5 (diff)
mcf2graph (21aug16)
git-svn-id: svn://tug.org/texlive/trunk@41900 c570f23f-e606-0410-a88d-b1316a301751
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG7
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/README2
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf8
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdfbin241812 -> 242077 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf22
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdfbin476539 -> 475962 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex43
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdfbin123162 -> 123160 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex3
-rw-r--r--Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf23
10 files changed, 66 insertions, 42 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
index 611d4ab2851..0191b91b22c 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
@@ -1,6 +1,11 @@
*******************************************************************************
- Changelog of mcf2graph software package by Akira Yamaji 2016-08-06
+ Changelog of mcf2graph software package by Akira Yamaji 2016-08-21
*******************************************************************************
+[ver. 3.97 / 2016-08-21]
+ -change bond type name 'ov' to 'si_'
+ -add bond type 'wf_','wb_','bd_'
+ -update MCF syntax manual
+
[ver. 3.96 / 2016-08-06]
-large scaled rings can fuse
5,6,7,8 membered ring scaled 11/10,12/10,13/10,14/10,15/10
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README
index 9a1a8a58a9a..1711f2d0217 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 : 3.96 2016-08-06
+ version : 3.97 2016-08-21
E-mail : mcf2graph@gmail.com
Located at : http://www.ctan.org/pkg/mcf2graph
********************************************************************************
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
index e0833ba7e6e..fbe8c08ee82 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2016.08.06
+% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2016.08.21
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf;
+input mcf2graph.mf; %%% it must be version 3.97 or later
%-------------------------------------------------------------------------
font_wd#:=33mm#;
font_ht#:=24mm#;
@@ -238,7 +238,7 @@ endfont
%**************************************************************************
beginfont("EN:Tetrodotoxine")
MCf({,``1,<60,-90,60,-30`1.15,150,60,&#1,#3*,-135,60,-30`1.15,150,&#4,
- #10\,O,60`1.33,60,&#3~ov,#8*,-15~ov,O,&#12,},#9*,45,-60,OH,1^120://NH,
+ #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)
endfont
%***************************************************************************
@@ -370,7 +370,7 @@ endfont
%**************************************************************************
beginfont("EN:Morphine")
MCf(<30,Ph,2=?6,-4=?6,(1,12)=?5[2],-1:O,-1=zb,
- 7*,60~wf`0.75,70~ov`1.3,45,N,/Me,&9~wb,
+ 7*,60~wf`0.75,70~si_`1.3,45,N,/Me,&9~wb,
15=dl,6:/OH,8^180:*/H,12:/*OH)
endfont
%**************************************************************************
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
index be83fbebaf0..9cdc045a25a 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
Binary files differ
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 8dcf33c778e..07a530f60c8 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2016.08.06
+% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2016.08.21
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf;
+input mcf2graph.mf; %% it must be version 3.97 or later
%------------------------------------------------------------------------
font_wd#:=60mm#;% font width
font_ht#:=40mm#;% font height
@@ -55,14 +55,17 @@ beginfont("EN:Connect atom")
endfont
%***********************************************************************
beginfont("EN:ring")
+ max_bond_width:=0.25;
sw_numberB:=1;
sw_start_vector:=1;
MCf(?6)
endfont
%***********************************************************************
beginfont("EN:rotate 1")
+ max_bond_width:=0.25;
+ sw_numberB:=1;
sw_start_vector:=1;
- MCf(<30,!4,<30,?6)
+ MCf(``1,0~vf,0~vf,<90,0~vf,<-90,0~vf)
endfont
%***********************************************************************
beginfont("EN:change bond 1")
@@ -72,22 +75,23 @@ endfont
%***********************************************************************
beginfont("EN:change bond 2")
ratio_chain_ring:=1;
- MCf(<30,!~wf,!~wb,!~zf,!~zb)
+ MCf(<30,!~wf,!~wb,!~zf,!~zb,!~vf)
endfont
%***********************************************************************
beginfont("EN:change bond 3")
ratio_chain_ring:=1;
- MCf(<30,!4,1=vf,2=vb,3=dt,4=wv)
+ MCf(<30,!5,1=vb,2=dt,3=wv,4=bd,5=bz)
endfont
%***********************************************************************
beginfont("EN:change bond 4")
ratio_chain_ring:=1;
- MCf(<30,!3,!`2,!,@(3~bd`2^-30,5~ov^85`3,3~bz`3^-70)/Me)
+ MCf(<30,!7,$(2,4,6)dr)
endfont
%***********************************************************************
-beginfont("EN:change bond 4")
+beginfont("EN:over line")
ratio_chain_ring:=1;
- MCf(<30,!7,$(2,4,6)dr)
+ max_bond_width:=0.25;
+ MCf(<-30,!8`.4,!`.2,60`.6,90`3,@(2~si_,4~wf_,6~wb_,8~bd_)/Me`1)
endfont
%***********************************************************************
beginfont("EN:change bond length1")
@@ -597,7 +601,7 @@ endfont
%***************************************************************************
beginfont("EN:Atoropin","CAS:51-55-8","FM:C17H23NO3","MW:289.37")
MCf(<-30,O,!,//O,!,!,Ph,
- #1\~zb^-120,|,?7`1.1,6*\^190`1.25,N,/Me,&3~wb,#3\~wv,!,OH)
+ #1\~zb^-120,|,?7,6*\^190`1.12,N,/Me,&3~wb,#3\~wv,!,OH)
endfont
%***************************************************************************
beginfont("EN:Validamycin")
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
index 9eb75f91201..e6e758e1d5d 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
Binary files differ
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
index fbcf34b1d9e..7a2bf1d9fc7 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 2016.08.06
+% Molecular Coding Format manual by Akira Yamaji 2016.08.21
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
\usepackage{graphicx}
@@ -96,7 +96,7 @@ beginfont("NO:1","EN:Ampicillin") > begin font(information)
MCf(<45,?4,2:N,2=?5,-1:S, > begin MCF (1)
@(3^45,4^-45)/*H,1://O^15,5:/*COOH^-18, >
@(6^35,6^-35)/Me, >
- 4\^75,NH,!,//O,!,/*NH,!,Ph) > end MCF
+ 4\^75,NH,!,//O,!,/*NH,!,Ph) > end MCF
endfont > end font
%------------------------------------------------------------------------
beginfont("NO:2","EN:Cholesterol") > begin font(information)
@@ -267,7 +267,8 @@ n* : Jump to An
\begin{verbatim}
<angle : rotate current angle
- <30,!4,<30,?6
+ ``1,
+ 0~vf,0~vf,<90,0~vf,<-90,0~vf
\end{verbatim}
\end{minipage}
\MCFstructure
@@ -289,57 +290,61 @@ tm : triple
\vspace{\gpman}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][\htman]{90mm}
-\MCFtitle{Change bond type (1)}
+\MCFtitle{Change bond type (2)}
\begin{verbatim}
a~type : ~~type,a
wf : wedge forward
wb : wedge backward
zf : wedge dotted
zb : wedge dotted backward
+vf : vector forward
- <30,!~wf,!~wb,!~zf,!~zb
+ <30,!~wf,!~wb,!~zf,!~zb,!~vf,!~vb
\end{verbatim}
\end{minipage}
\MCFstructure
\vspace{\gpman}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][\htman]{90mm}
-\MCFtitle{Change bond type (2)}
+\MCFtitle{Change bond type (3)}
\begin{verbatim}
Bn=bond type : change bond type at Bn
-vf : vector forward
vb : vector backward
dt : dotted
wv : wave
+bd : broad
+bz : broad dotted
- <30,!4,1=vf,2=vb,3=dt,4=wv
+ <30,!5,1=vb,2=dt,3=wv,4=bd,5=bz
\end{verbatim}
\end{minipage}
\MCFstructure
\vspace{\gpman}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][\htman]{90mm}
-\MCFtitle{Change bond type (3)}
+\MCFtitle{Change bond type (4)}
\begin{verbatim}
-bd : broad single
-bz : broad dotted
-ov : over line
+$(2,4,6)dr : 2=dr,4=dr,6=dr
+
+<30,!7,$(2,4,6)dr
-<30,!3,!`2,!,
- @(3~bd`2^-30,5~ov`3^85,3~bz`3^-70)/Me
+** <30,!7,2=dr,4=dr,6=dr
-** 3~bd^-45`2 : ~~bd,^^-45,'`2,3
\end{verbatim}
\end{minipage}
\MCFstructure
\vspace{\gpman}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][\htman]{90mm}
-\MCFtitle{Change bond type (4)}
+\MCFtitle{Over line}
\begin{verbatim}
-$(2,4,6)dr : 2=dr,4=dr,6=dr
+si_ : single over line
+wf_ : wedge forward over line
+wb_ : wedge backward over line
+bd_ : broad over line
-<30,!7,$(2,4,6)dr
+<-30,!8`.4,!`.2,60`.6,90`3,
+@(2~si_,4~wf_,6~wb_,8~bd_)/Me`1
\end{verbatim}
\end{minipage}
@@ -1411,7 +1416,7 @@ mcf_man_soc;91;1;Ampicillin
\begin{verbatim}
<-30,O,!,//O,!,!,Ph,
#1\~zb^-120,
- |,?7`1.1,6*\^190`1.25,N,/Me,&3~wb,
+ |,?7,6*\^190`1.02,N,/Me,&3~wb,
#3\~wv,!,OH
\end{verbatim}
\end{minipage}
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
index 0e60edde594..cb68fe31e7d 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
Binary files differ
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
index 9d0f1b99042..207ec7cfd83 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
@@ -1,6 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2016.8.06
+% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2016.8.21
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+%%% mcf2graph.mf it must be version 3.97 or later
\documentclass{article}
%------------------------------------------------------------------------------
\usepackage{luamplib}%
diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
index a778a1da880..b674e468a9c 100644
--- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
+++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 3.96 Copyright (c) 2013-2016 Akira Yamaji
+% mcf2graph ver 3.97 Copyright (c) 2013-2016 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,
@@ -90,7 +90,7 @@ def_com(-4000)(_term,_jp_atom,_jp_atom_abs,_jp_bond,_cyc,_cyc_sB,_cyc_eB,_set_li
_dl,_N,_O,_S,_H,_tmp_line,_chg_len,_get_len,_ring_len,_tmp_len,_rot_ang,_set_ang,_adj_ang,_chg_env,
_tmp_env,_set_colorA,_set_colorB,_postA,_postB,_postC,_postD,_postE,_postF,_set_psA,_stack_reset,
_set_clr,_set_adr,_mk_bond,_set_atom,_arg_ang,_chg_atom,_tmp_rot,_fuse,_push,_pop,_size_a);
-def_com(1)(si,dl,dr,dm,tm,wf,wb,bd,bz,zf,zb,ov,dt,no,ar,vf,vb,wv,nl);
+def_com(1)(si,dl,dr,dm,tm,wf,wb,bd,bz,zf,zb,dt,no,ar,vf,vb,wv,nl,si_,wf_,wb_,bd_);
%-------------------------------------------------------------------------------------------------
def parameter_list=
sw_checklist,sw_numberA,sw_numberB,sw_mol_frame,sw_auxout,sw_solid,sw_expand,sw_MOLout,
@@ -279,7 +279,7 @@ def PB(expr a,b)= cntBS:=cntBS+1; comMC[ab_num][cntBS]:=a; parMC[ab_num][cntBS]:
def $$(text t)(expr e) =
begingroup save cntBS; cntBS:=0; ab_num:=ab_num+1;
if known e:: if numeric e::
- if (e>=si)and(e<=nl):: if e==dl:: for list==t:: PB(_dl,list) endfor
+ if (e>=si)and(e<=bd_):: if e==dl:: for list==t:: PB(_dl,list) endfor
else:: for list==t:: PB(_set_adr,list) PB(_set_line,e) endfor fi
elseif (e>=?3)and(e<=?20):: for list==t:: !?(list)(e-?3+3) endfor
elseif e==Ph1:: !?(t)(6) PB(_dl,-2) PB(_dl,-4)
@@ -382,8 +382,8 @@ def MCd(expr RW,RH)(expr FW,FH)(text s)=
else: for i=1 upto 4: proc_skeleton; scaling; resize(RW,RH); size_setup; endfor fi fi
font_setup;
if sw_subst_off=1: cntA:=cntA_skeleton; cntB:=cntB_skeleton; fi
- for i=1 upto cntB: if lineB[i]<>ov: draw_bond(i,sB[i],eB[i],angB[i],lineB[i]); fi endfor
- for i=1 upto cntB: if lineB[i]=ov: draw_bond(i,sB[i],eB[i],angB[i],lineB[i]); fi endfor
+ for i=1 upto cntB: if lineB[i]<si_ : draw_bond(i,sB[i],eB[i],angB[i],lineB[i]); fi endfor
+ for i=1 upto cntB: if lineB[i]>=si_: draw_bond(i,sB[i],eB[i],angB[i],lineB[i]); fi endfor
for i=1 upto cntA:
if (sw_numberA>=1)and(i>=numberA_start)and(i<=numberA_end):
if sw_numberA=2: nA:=i-numberA_start+1;
@@ -605,9 +605,18 @@ if (nC>0)and(LN<>0):
elseif LN=zb:wz_put(Le,sfB(Ls,ww,am),sfB(Ls,ww,ap),nB);
elseif LN=dt:for i=0 step .75zebra_gap/length(Le-Ls) until 1: drawdot i[Ls,Le]; endfor
elseif LN=wv:draw_wv;
- elseif LN=ov:erase draw 0.15[Ls,Le]--0.85[Ls,Le] wpcs gap; draw pA Cp(nB);
elseif LN=vf:draw pA Cp(nB);draw sfB(Le,gap,ANG-150)--Le--sfB(Le,gap,ANG+150) Cp(nB);
- elseif LN=vb:draw pA Cp(nB);draw sfB(Ls,gap,ANG-30)--Ls--sfB(Ls,gap,ANG+30) Cp(nB); fi
+ elseif LN=vb:draw pA Cp(nB);draw sfB(Ls,gap,ANG-30)--Ls--sfB(Ls,gap,ANG+30) Cp(nB);
+ elseif LN=si_:erase draw 0.15[Ls,Le]--0.85[Ls,Le] wpcs .75gap; draw pA Cp(nB);
+ elseif LN=wf_:erase fill sfB(0.15[Ls,Le],.5ww,ap)--sfB(0.15[Ls,Le],.5ww,am)--
+ sfB(0.85[Ls,Le],1.25ww,am)--sfB(0.85[Ls,Le],1.25ww,ap)--cycle;
+ fill Ls--sfB(Le,ww,am)--sfB(Le,ww,ap)--cycle;
+ elseif LN=wb_:erase fill sfB(0.15[Ls,Le],1.25ww,ap)--sfB(0.15[Ls,Le],1.25ww,am)--
+ sfB(0.85[Ls,Le],.5ww,am)--sfB(0.85[Ls,Le],.5ww,ap)--cycle;
+ fill sfB(Ls,ww,am)--Le--sfB(Ls,ww,ap)--cycle;
+ elseif LN=bd_:erase draw 0.15[Ls,Le]--0.85[Ls,Le] wpcs 1.5gap;
+ draw pA withpen penrazor rotated ap scaled gap Cp(nB);
+ fi
if (sw_numberB>=1)and(n>=numberB_start)and(n<=numberB_end):
if sw_numberB=2: nB:=n-numberB_start+1;
elseif sw_numberB=3: if numberB_end<cntB: nB:=numberB_end-n+1; else: nB:=cntB-n+1; fi