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-rw-r--r--graphics/mcf2graph/mcf_manual.tex62
1 files changed, 60 insertions, 2 deletions
diff --git a/graphics/mcf2graph/mcf_manual.tex b/graphics/mcf2graph/mcf_manual.tex
index 077d105ae3..dceb5999f3 100644
--- a/graphics/mcf2graph/mcf_manual.tex
+++ b/graphics/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}