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Diffstat (limited to 'Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex')
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex | 62 |
1 files changed, 60 insertions, 2 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex index 077d105ae3b..dceb5999f31 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 2021.08.01 +% Molecular Coding Format manual by Akira Yamaji 2021.09.05 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage[pdftex]{graphicx} @@ -1629,7 +1629,65 @@ Cat:biological;EN:Linoleic acid;MW:280.45 <30,!5,-30,-30,!,-30,-30,!7,COOH,{6,9}=dr +------------------------------------------------------------------------------ \end{verbatim} -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +%------------------------------------------------------------------------------ +\noindent% +\newpage +\subsection{Function query()} +\index{query()}% +\paragraph{(Example)} +\begin{verbatim} +%-------------------------------------------------------------- +% query() +% +% "i:filename" : input file name (default "mcf_data_base.mcf") +% "o:filename" : output file name (default "temp.mcf") +% "s:sort-key" : sort by sort-key +% +% = , <> , <= , >= , < , > +% +% filter 1 : Cat=biological +% filter 2 : MW>=285 +% filter 3 : MW<=295 +%-------------------------------------------------------------- +query("s:EN", +%%%%% "i:mcf_data_base.mcf","o:temp.mcf","s:EN", + "Cat=biological","MW>=285","MW<=295"); +%-------------------------------------------------------------- +forever: + beginfont("f+:temp","v:*") % use file temp.mcf / select all + if f_EOF=0: if check(mc)=0: MC(scantokens(mc)) fi fi + endfont + exitif (f_EOF=1)or(f_close=1); +endfor +%--------------------------------------------------------------- +\end{verbatim} +%--------------------------------------------------------------- +\paragraph{(output)} +\begin{verbatim} +Cat:biological;EN:Atoropin;MW:289.375;EXA:1 ++ +<30,O,!,//O,!,!,Ph,@$1,\~zb^-60,|,?7`1.1,@6,*\^190`1.25,N!,&3~wb,$3:/!OH~wv ++------------------------------------------------------------------------------ +Cat:biological;EN:Cianidanol;MW:290.27;EXA:1 ++ +<30,Ph,3=?6,@8,*\,Ph,7:O,{1,5,13,14}:/OH,9:/*OH ++------------------------------------------------------------------------------ +Cat:biological;EN:Lycorine;MW:287.315;EXA:1 ++ +<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 ++------------------------------------------------------------------------------ +Cat:biological;EN:Morphine;MW:285.343;EXA:1 ++ +<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 ++------------------------------------------------------------------------------ +Cat:biological;EN:Piperine;MW:285.343;EXA:1 ++ +<30,Ph,|,-1=?5,{1,3}:O,@$4,\,!!,!,!!,!,//O,!,|,?6,1:N ++------------------------------------------------------------------------------ +\end{verbatim} +%------------------------------------------------------------------------------ \noindent% \newpage \subsection{Information aux file output} |