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author | Karl Berry <karl@freefriends.org> | 2016-10-30 21:47:32 +0000 |
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committer | Karl Berry <karl@freefriends.org> | 2016-10-30 21:47:32 +0000 |
commit | 89a0d8d836136e5468c566d1953f5e5e6f4bd853 (patch) | |
tree | cbed6b6077859a7e2fe66d1afa4263e9a8033d27 /Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex | |
parent | 58fc5888acdab56053b3c486a4cee71a43cadc87 (diff) |
mcf2graph (30oct16)
git-svn-id: svn://tug.org/texlive/trunk@42385 c570f23f-e606-0410-a88d-b1316a301751
Diffstat (limited to 'Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex')
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex | 197 |
1 files changed, 147 insertions, 50 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex index f3fc19b2fee..ee720dc7eca 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 2016.10.23 +% Molecular Coding Format manual by Akira Yamaji 2016.10.30 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} %%%%\usepackage{graphicx} @@ -711,21 +711,26 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\ %----------------------------------------------------------------------------- \subsubsection{Solid mode} \begin{verbatim} - sw_solid=1 : + (sw_solid=0 : fit to font size) + ** default +\end{verbatim} +\MCFstructure +%----------------------------------------- +\begin{verbatim} + (sw_solid=1 : solid ratio bond/font width) ratio_bond_width=0.1 - font_width=70mm - (bond_len#=70mm*0.1=7mm) + font_width=60mm + (bond_len#=60mm#*0.1=6mm#) ** ignore bond_len# - - sw_solid=2 : - bond_len#=6mm# +\end{verbatim} +\MCFstructure +%----------------------------------------- +\begin{verbatim} + (sw_solid=2 : solid bond length) + bond_len#=10mm# ** ignore ratio_bond_width \end{verbatim} -\MCFstructure\\ -\makebox[5mm]{}% -\makebox[25mm]{\tt 0 :default}% -\makebox[25mm]{\tt 1}% -\makebox[20mm]{\tt 2}% +\MCFstructure %----------------------------------------------------------------------------- \subsubsection{Expand mode} \begin{verbatim} @@ -754,27 +759,33 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\ \makebox[30mm]{\tt 0 :default}% \makebox[30mm]{\tt 1}% %----------------------------------------------------------------------------- -\subsection{Frame,vector} -%----------------------------------------------------------------------------- -\subsubsection{Start vector} -\begin{verbatim} - default: sw_start_vector=0 -\end{verbatim} -\MCFstructure\\ -\makebox[5mm]{}% -\makebox[30mm]{\tt 0 :default}% -\makebox[30mm]{\tt 1}% +\newpage +\subsection{Frame} %----------------------------------------------------------------------------- \subsubsection{Font frame} \begin{verbatim} - sw_font_frame=0 : no frame **default - sw_font_frame=1 : draw frame of font - sw_font_frame=2 : draw frame inside margin - sw_font_frame=3 : draw both - - sw_font_frame:=3; + (No font frame) margin_left_right:=5mm; margin_top_bottom:=2mm; + sw_font_frame:=0; ** default + MCf(<30,Ph,4:/Cl,3:/F) +\end{verbatim} +\MCFstructure +\begin{verbatim} + (Draw font frame) + sw_font_frame:=1; + MCf(<30,Ph,4:/Cl,3:/F) +\end{verbatim} +\MCFstructure +\begin{verbatim} + (Draw frame inside margin) + sw_font_frame:=2; + MCf(<30,Ph,4:/Cl,3:/F) +\end{verbatim} +\MCFstructure +\begin{verbatim} + (Draw both frame) + sw_font_frame:=3; MCf(<30,Ph,4:/Cl,3:/F) \end{verbatim} \MCFstructure @@ -798,44 +809,105 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\ \subsection{Clipping font} \begin{verbatim} beginfont() - sw_clip:=0; - MCf(<30,Ph,4:/Cl,3:/F) endfont + sw_clip:=0; + MCf(<30,Ph,4:/Cl,3:/F) + endfont ** default: sw_clip=0 \end{verbatim} \MCFstructure \begin{verbatim} beginfont() - sw_clip:=1; - MCf(<30,Ph,4:/Cl,3:/F) endfont + sw_clip:=1; + MCf(<30,Ph,4:/Cl,3:/F) + endfont \end{verbatim} \MCFstructure %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\newpage -\section{MCF draw function} -\subsection{Function MCd (draw)} +\section{Function} +\subsection{Function MCd()} \begin{verbatim} + (Draw molecular structure) + MCd(a,b)(c,d)(...) a: ratio molecular width/font width b: ratio molecular hight/font hight c: x axis position d: y axis position - MCd(1,0.8)(0.2,0.9)(<30,Ph,3:/F,4:/Cl) - MCd(1,0.8)(0.8,0.1)(<30,Ph,3:/F,4:/Cl) + beginfont() + MCd(1,0.8)(0.2,0.9)(<30,Ph,3:/F,4:/Cl) + MCd(1,0.8)(0.8,0.1)(<30,Ph,3:/F,4:/Cl) + endfont \end{verbatim} \MCFstructure %----------------------------------------------------------------------------- -\subsection{Function MCf (fit draw)} +\subsection{Function MCf()} \begin{verbatim} + (Draw fit to font size) + MCf(...) : MCd(1,1)(0.5,0.5)(...) - sw_font_frame:=1; + beginfont() + MCf(<30,Ph,3:/F,4:/Cl) + endfont +\end{verbatim} +\MCFstructure +%----------------------------------------------------------------------------- +\newpage +\subsection{Function EXT()} +\begin{verbatim} + (Extra graphic to font) + + w: font width + h: font height + wd: font width-margin_left_right*2 + ht: font height-margin_top_bottom*2 + p0: x=margin_left_right + y=margin_top_bottom + n: molecular number + p[m]: molecular origin position + (1<=m<=molecular count) + + beginfont() sw_mol_frame:=1; - MCf(<30,Ph,3:/F,4:/Cl) + MCd(1,1)(0,0.5)(<30,Ph,2:/OH,5:/OH) + MCd(1,1)(1,0.5) + (<30,?6,$(3,6)dl,@(2,5)//O) + EXT( + draw ((0,0)--(26mm,0)--(22mm,2mm)) + shifted (0.3w,0.5h); + drawdot p1 withpen pencircle scaled 2mm; + drawdot p2 withpen pensquare scaled 2mm; + ) + endfont +\end{verbatim} +\MCFstructure +%----------------------------------------------------------------------------- +\subsection{Function ext()} +\begin{verbatim} + (Extra graphic to molecule) + + wd: molecular width + ht: molecular height + p0: origin of molecular structure + n: atom number + p[m]: atom position of A[m] + a[m]: branch angle of A[m] + (1<=m<=atom count) + draw_vector(pos,ang,len) : + pos:position ang:angle len:length + + beginfont() + MCf(<30,Ph,3:/F,4:/Cl) + ext(draw p0--(p0+(wd,0)) + --(p0+(wd,ht); + draw_vector(p6,a6-180,8mm); + ) + endfont \end{verbatim} \MCFstructure %----------------------------------------------------------------------------- -\subsection{Local setting} +\subsection{Local parameter setting} \begin{verbatim} beginfont() MCf(Ph) endfont beginfont() @@ -844,16 +916,18 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\ endfont beginfont() MCf(Ph) endfont \end{verbatim} -\MCFstructure +\MCFstructure\MCFstructure\MCFstructure %----------------------------------------------------------------------------- -\subsection{Global setting} +\subsection{Global parameter setting} \begin{verbatim} ratio_thickness_bond:=0.05; beginfont() MCf(Ph) endfont beginfont() MCf(Ph) endfont beginfont() MCf(Ph) endfont \end{verbatim} -\MCFstructure +\MCFstructure\MCFstructure\MCFstructure +%----------------------------------------------------------------------------- +\section{Output infomation} %----------------------------------------------------------------------------- \subsection{Output molecular information} \begin{verbatim} @@ -870,10 +944,14 @@ cFM:calculated molecular formula \subsection{Output additional information} \begin{verbatim} beginfont("EN:Tocopherol","CAS:59-02-9") - MCf(...) endfont + MCf(<30,Ph,3=?6, + 7:O,@(1,2,5)/Me,8:/*Me^60,6:/OH, + 8\,|,!12,@(4,8)/*Me,12:/Me) +endfont %% Output to mcf_man_soc-info.aux %% F:mcf_man_soc;C:86;EN:Tocopherol;CAS:59-02-9 +............................................ *F:filename *C:char number EN:molecular name CAS:CAS number *:default output @@ -884,10 +962,19 @@ CAS:CAS number *:default output \begin{verbatim} aux_delimiter:="/"; beginfont("EN:Ampicillin","CAS:69-53-4") - MCf(...) endfont + MCf(<45,?4,2:N,2=?5,-1:S, + @(3^45,4^-45)/*H,1://O^15, + 5:/*COOH^-18,@(6^35,6^-35)/Me, + 4*\^75,NH,!,//O,!,/*NH2,!,Ph) +endfont +beginfont(......) + ........... +endfont +.............. %% Output to mcf_man_soc-info.aux %% F:mcf_man_soc/C:90/EN:Ampicillin/CAS:69-53-4 +............................................ **default aux_delimiter=";" \end{verbatim} @@ -899,11 +986,21 @@ F:mcf_man_soc/C:90/EN:Ampicillin/CAS:69-53-4 tag4:="EN"; var4:="inf_EN"; sw_auxfix:=1; auxtag_out; beginfont("EN:Cholesterol","NO:1") - ..... endfont + MCf(<30,?6,$(-4,-2)?6,-4=?5,7=dl, + 1:*/OH,@(4,12)*/Me^60,9:*/H^60, + 10:/*H^180,11:/*H^-60,17:/*H^-54, + -1\^18,/*Me,-60,!3,/Me,!) + endfont + beginfont(......) + ........... + endfont + .............. %% Output to mcf_man_soc-info.aux %% F;C;NO;EN mcf_man_soc;91;1;Ampicillin + ........................... + \end{verbatim} \MCFstructure %----------------------------------------------------------------------------- @@ -1203,7 +1300,7 @@ M END \end{verbatim}% \newpage %---------------------------------------------------------------------------- -\subsection{\LaTeX file example} +\subsection{LaTeX file example} %############################################################################ \begin{verbatim} %-------------------------------------------------------------------- @@ -1243,7 +1340,7 @@ M END \end{verbatim}% %############################################################################ %------------------------------------------------------------------------ -\INFO{F:mcf_man_soc,C:103,NO:1,cMW:349.40462,cFM:C16H19N3O4S,EN:Ampicillin}% -\INFO{F:mcf_man_soc,C:104,NO:2,cMW:386.6532,cFM:C27H46O,EN:Cholesterol}% +\INFO{F:mcf_man_soc,C:113,NO:1,cMW:349.40462,cFM:C16H19N3O4S,EN:Ampicillin}% +\INFO{F:mcf_man_soc,C:114,NO:2,cMW:386.6532,cFM:C27H46O,EN:Cholesterol}% %------------------------------------------------------------------------ \end{document} |