diff options
author | Norbert Preining <norbert@preining.info> | 2021-05-06 03:00:58 +0000 |
---|---|---|
committer | Norbert Preining <norbert@preining.info> | 2021-05-06 03:00:58 +0000 |
commit | 25f20b6d8ccd4edcdfec23c1a3c908516076ee06 (patch) | |
tree | f889e071118d7d2db80066d14d14b020c50a2238 /graphics/mcf2graph/mcf_mplib_exa.tex | |
parent | 75db33dc347ec9cfbaa2f3ec538a2697351f571b (diff) |
CTAN sync 202105060300
Diffstat (limited to 'graphics/mcf2graph/mcf_mplib_exa.tex')
-rw-r--r-- | graphics/mcf2graph/mcf_mplib_exa.tex | 241 |
1 files changed, 109 insertions, 132 deletions
diff --git a/graphics/mcf2graph/mcf_mplib_exa.tex b/graphics/mcf2graph/mcf_mplib_exa.tex index 71f5f26909..93ac0e0f1f 100644 --- a/graphics/mcf2graph/mcf_mplib_exa.tex +++ b/graphics/mcf2graph/mcf_mplib_exa.tex @@ -1,18 +1,19 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2021.04.18 +% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2021.05.05 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% ** mcf2graph.mf must be version 4.63 +% ** mcf2graph.mf must be version 4.64 % ** use mcf_data_base.mcf \documentclass{article} %------------------------------------------------------------------------------ \usepackage{luamplib}% \usepackage[T1]{fontenc}% -\usepackage{textcomp}% +\usepackage{textcomp,verbatim,mcf_setup}% \mplibcodeinherit{enable}% \mplibverbatim{enable}% \mplibnumbersystem{double}% \everymplib{% if unknown Ph1: input mcf2graph.mf; fi + tag1:="J"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW"; sw_output:=None; sw_fframe:=4; max_blength:=4.5mm; @@ -46,56 +47,52 @@ \subsection{Chlorophyll a} \noindent% \begin{verbatim} -beginfont("f:mcf_data_base","t:EN","v:Chlorophyll a") +beginfont("f:mcf_data_base","t:EN","v:Chlorophyll a", + ":,||,{4,11,17,23}:red,27:green") %%%% change color of atoms %%%% fsize:=(100mm,45mm); if check(mc)=0: MC(scantokens(mc)) fi - ext( - defaultscale:=0.8; - label.lrt("FM(C): "&cal_FM,(0,h-5mm)); - label.lrt("MW(C): "&cal_MW,(0,h-9mm)); - label.lrt("MW(D): "&inf_MW,(0,h-13mm)); - ) + ext(defaultscale:=0.8; + label.lrt("FM(C): "&cal_FM,(0,h-5mm)); + label.lrt("MW(C): "&cal_MW,(0,h-9mm)); + label.lrt("MW(D): "&inf_MW,(0,h-13mm));) endfont \end{verbatim} %------------------------------------------------------------------------------------ \begin{mplibcode} -beginfont("f:mcf_data_base","t:EN","v:Chlorophyll a") +beginfont("f:mcf_data_base","t:EN","v:Chlorophyll a", + ":,||,{4,11,17,23}:red,27:green") %%%% change color of atoms %%%% fsize:=(100mm,45mm); if check(mc)=0: MC(scantokens(mc)) fi - ext( - defaultscale:=0.8; - label.lrt("FM(C): "&cal_FM,(0,h-5mm)); - label.lrt("MW(C): "&cal_MW,(0,h-9mm)); - label.lrt("MW(D): "&inf_MW,(0,h-13mm)); - ) + ext(defaultscale:=0.8; + label.lrt("FM(C): "&cal_FM,(0,h-5mm)); + label.lrt("MW(C): "&cal_MW,(0,h-9mm)); + label.lrt("MW(D): "&inf_MW,(0,h-13mm));) endfont \end{mplibcode} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\subsection{Okadaic acid} +\subsection{Dinophysistoxin-1} \noindent% \begin{verbatim} -beginfont("f:mcf_data_base","t:EN","v:Okadaic acid") +beginfont("f:mcf_data_base","t:EN","v:Okadaic acid","EN:Dinophysistoxin-1", + "MW:819",":,@38,*\,-1=red") %%%% add methyl group (color red) %%%% fsize:=(150mm,35mm); if check(mc)=0: MC(scantokens(mc)) fi - ext( - defaultscale:=0.8; - label.lrt("FM(C): "&cal_FM,(0,h-5mm)); - label.lrt("MW(C): "&cal_MW,(0,h-9mm)); - label.lrt("MW(D): "&inf_MW,(0,h-13mm)); - ) + ext(defaultscale:=0.8; + label.lrt("FM(C): "&cal_FM,(0,h-5mm)); + label.lrt("MW(C): "&cal_MW,(0,h-9mm)); + label.lrt("MW(D): "&inf_MW,(0,h-13mm));) endfont; \end{verbatim} %---------------------------------------------------------------------------- \begin{mplibcode} -beginfont("f:mcf_data_base","t:EN","v:Okadaic acid") +beginfont("f:mcf_data_base","t:EN","v:Okadaic acid","EN:Dinophysistoxin-1", + "MW:819",":,@38,*\,-1=red") %%%% add methyl group (color red) %%%% fsize:=(150mm,35mm); if check(mc)=0: MC(scantokens(mc)) fi - ext( - defaultscale:=0.8; - label.lrt("FM(C): "&cal_FM,(0,h-5mm)); - label.lrt("MW(C): "&cal_MW,(0,h-9mm)); - label.lrt("MW(D): "&inf_MW,(0,h-13mm)); - ) + ext(defaultscale:=0.8; + label.lrt("FM(C): "&cal_FM,(0,h-5mm)); + label.lrt("MW(C): "&cal_MW,(0,h-9mm)); + label.lrt("MW(D): "&inf_MW,(0,h-13mm));) endfont; \end{mplibcode} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% @@ -128,12 +125,10 @@ beginfont("EN:Erythromycin","MW:733.93", %------------------------------------------------------------------ fsize:=(120mm,30mm); if check(mc)=0: MC(scantokens(mc)) fi - ext( - defaultscale:=0.8; - label.lrt("FM(C): "&cal_FM,(0,h-5mm)); - label.lrt("MW(C): "&cal_MW,(0,h-9mm)); - label.lrt("MW(D): "&inf_MW,(0,h-13mm)); - ) + ext(defaultscale:=0.8; + label.lrt("FM(C): "&cal_FM,(0,h-5mm)); + label.lrt("MW(C): "&cal_MW,(0,h-9mm)); + label.lrt("MW(D): "&inf_MW,(0,h-13mm));) endfont; \end{mplibcode} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% @@ -162,12 +157,10 @@ beginfont("EN:Paclitaxel","MW:853.918", %--------------------------------------------------------------------- fsize:=(120mm,30mm); if check(mc)=0: MC(scantokens(mc)) fi - ext( - defaultscale:=0.8; - label.lrt("FM(C): "&cal_FM,(0,h-5mm)); - label.lrt("MW(C): "&cal_MW,(0,h-9mm)); - label.lrt("MW(D): "&inf_MW,(0,h-13mm)); - ) + ext(defaultscale:=0.8; + label.lrt("FM(C): "&cal_FM,(0,h-5mm)); + label.lrt("MW(C): "&cal_MW,(0,h-9mm)); + label.lrt("MW(D): "&inf_MW,(0,h-13mm));) endfont \end{mplibcode} %---------------------------------------------------------------------------- @@ -190,86 +183,70 @@ beginfont("EN:Kekulene","MW:600.7", ": {8,12,14,16,18,22,24,26,28,32,34,36,38,42,44,46,48,52,54,56,58}=dl ") fsize:=(120mm,25mm); if check(mc)=0: MC(scantokens(mc)) fi - ext( - defaultscale:=0.8; - label.lrt("FM(C): "&cal_FM,(0,h-5mm)); - label.lrt("MW(C): "&cal_MW,(0,h-9mm)); - label.lrt("MW(D): "&inf_MW,(0,h-13mm)); - ) + ext(defaultscale:=0.8; + label.lrt("FM(C): "&cal_FM,(0,h-5mm)); + label.lrt("MW(C): "&cal_MW,(0,h-9mm)); + label.lrt("MW(D): "&inf_MW,(0,h-13mm));) endfont \end{mplibcode} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \newpage %---------------------------------------------------------------------------- -\subsection{Vancomycin} +\subsection{Maitotoxin} \noindent% -%---------------------------------------------------------------------------- +%-------------------------------------------------------------------------------- \begin{verbatim} -% extract from molecular data base file 'mcf_data_base.mcf' -EN:Vancomycin;MW:1449.25 -+ -<-30,#1,!12,{1,3,12}=zf,7=wf,/H^-60,60,*/OH,60, - Ph,-4:/Cl,@-3,\,O,!,Ph,@-4,\,O,!,Ph,-1^15:/Cl,@-3,\,/*OH,*/H^-60,&1, - @7,&26,@$1,60,//O,60,NH,60,/*H,*/COOH^180,-60, - Ph,{-2,-4}:/OH,@-1,\,Ph,-5:/OH,@-2,&4,##, - {3^40,6,9,12}://O,{2,5,8,11}:NH,{1,4^180}:*/H,{7^-60,10^60,14^60}:/*H, - @10,*\^-60,60,//O,!,NH2,@13,*\,NH,!,//O,!,/??!,*/H^60,!~zf,NH,!, - @23,\,O,!,|,?6`.7,2:O,3^10:/!OH,{4,5}:/OH, - @-1,\,O,!,|,?6`.7,6:O,{3^35,5}:/_,3^-35:/NH2,4:/OH -+------------------------------------------------------------------------------ -\end{verbatim} -%---------------------------------------------------------------------------- +%-------------------------------------------------------------------------------- \begin{mplibcode} -beginfont("f:mcf_data_base","t:EN","v:Vancomycin") -fsize:=(150mm,40mm); - if check(mc)=0: MC(scantokens(mc)) fi - ext( - defaultscale:=0.8; - label.lrt("FM(C): "&cal_FM,(0,h-4mm)); - label.lrt("MW(C): "&cal_MW,(0,h-8mm)); - label.lrt("MW(D): "&inf_MW,(0,h-12mm)); - ) -endfont; + beginfont("f:mcf_data_base","t:EN","v:Maitotoxin") + sw_output:=Mcode_t; %%%% output temp-mc.aux %%%% + endfont; + beginfont("f:mcf_data_base","t:EN","v:Maitotoxin") + sw_output:=Info_t; %%%% output temp-info.aux %%%% + if check(mc)=0: MC(scantokens(mc)) fi + endfont +\end{mplibcode} +\verbatiminput{temp-mc.aux} %%%% input temp-mc.aux %%%% +\begin{mplibcode} + beginfont("f:mcf_data_base","t:EN","v:Maitotoxin") + fsize:=(120mm,60mm); fmargin:=(0,3mm); sw_fframe:=1; + if check(mc)=0: MC(scantokens(mc)) fi %%%% output font %%%% + endfont \end{mplibcode} -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\subsection{Maitotoxin} -\noindent% %-------------------------------------------------------------------------------- -\begin{verbatim} -% extract from molecular data base file 'mcf_data_base.mcf' -EN:Maitotoxin;MW:3425.86 -+ -<55.8,?6,-4=?7 ,{-4,-3,-3,-3}=?6,@-3,\,!3,?6,{-4,-3,-3,-3}=?6,@-3,\,?6,-3=?6, - @-3,\,!3,60,<-30,?6,-3=?6,@-3,30,<30,?6,{-3,-3}=?6,-3=?7,{-4,-3,-3}=?6, - @-2,\,?6,-3=?6,-3=?7,{-3,-3}=?6,-3=?8,-3=dl,{-5,-3,-3,-3}=?6, - {5,7,15,16,23,24,32,40,41,48,49,58,59,72,73,82,83,90,91,99, - 100,107,113,114,122,123,130,131,140,141,148,149}:O, - {1^60,2,26,28,29,51,54,61,63,68,75^60,78,109}:*/OH, - {11,20,35,45,52,55,65,69,86}:/*OH,{47,57,71}:/*H^60, - {3,8,13,17,21,33,38,42,56,70,84,92,101,106,111,128,138,142,146,150}:/*H^-60, - {4,14,22,34,39,43,81,89,98,102,116,121,125,129,133}:*/H^60, - {6,46,50,53,60,67,74}:*/H^-60, - {9,18,85,93,112,139,143,147}:*/_`1^60, - {80,88,97,115,120,124}:/*_`1^-60,108:*/_`1^-60, - @$6,\,|,!11,60~dr,-60,60,OH,2:/*OH,{7,10}:*/OH,{1,3}:*/_,{8~zf,11~dm,12}:/_, - @6,\,O,30,SOO,30,"O{Na}", - @$36,-45~zf,O,30,SOO,30,"O{Na}", - @$150,\,|,!7,{1,2}:/*OH,4:*/_,5:/*_,7=dl -+------------------------------------------------------------------------------ +\newread\auxfile% +\openin\auxfile=temp-info.aux %%%% input temp-info.aux %%%% +\read\auxfile to \info% +\infotovar{\info} %%%% info to variables %%%% +\closein\auxfile% +{\tt ** EN:\EN \quad MW(C):\MW \quad MW(D):\mw \quad FM(C):\fm}% +%-------------------------------------------------------------------------------- \end{verbatim} %-------------------------------------------------------------------------------- \begin{mplibcode} -beginfont("f:mcf_data_base","t:EN","v:Maitotoxin") - fsize:=(170mm,55mm); - if check(mc)=0: MC(scantokens(mc)) fi - ext( - defaultscale:=0.8; - label.lrt("FM(C): "&cal_FM,(0,.8h-5mm)); - label.lrt("MW(C): "&cal_MW,(0,.8h-9mm)); - label.lrt("MW(D): "&inf_MW,(0,.8h-13mm)); - ) -endfont + beginfont("f:mcf_data_base","t:EN","v:Maitotoxin") + sw_output:=Mcode_t; %%%% output temp-mc.aux %%%% + endfont; + beginfont("f:mcf_data_base","t:EN","v:Maitotoxin") + sw_output:=Info_t; %%%% output temp-info.aux %%%% + if check(mc)=0: MC(scantokens(mc)) fi + endfont +\end{mplibcode} +\verbatiminput{temp-mc.aux} %%%% input temp-mc.aux %%%% +\begin{mplibcode} + beginfont("f:mcf_data_base","t:EN","v:Maitotoxin") + fsize:=(120mm,60mm); fmargin:=(0,3mm); sw_fframe:=1; + if check(mc)=0: MC(scantokens(mc)) fi %%%% output font %%%% + endfont \end{mplibcode} +%-------------------------------------------------------------------------------- +\newread\auxfile% +\openin\auxfile=temp-info.aux %%%% input temp-info.aux %%%% +\read\auxfile to \info% +\infotovar{\info} %%%% info to variables %%%% +\closein\auxfile% +{\tt ** EN:\EN \quad MW(C):\MW \quad MW(D):\mw \quad FM(C):\fm}% +%-------------------------------------------------------------------------------- %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \newpage \subsection{TCA cycle} @@ -278,20 +255,20 @@ endfont beginfont("EN:TCA cycle") fsize:=(160mm,75mm); max_blength:=5mm; -%------------------------------------------------------------------------ +%-------------------------------------------------------------------------------- COOH:='(//O,!,OH); HOCO:='(OH,!,//O,); -MCat(0.33, 1)(<30,HOCO,!,//O,!2,COOH) -MCat(0.66, 1)(<30,HOCO,!4,COOH,@-4`1,\,COOH,4:/OH^-165) -MCat(1, 1)(<30,HOCO,!2,!~dr,!,COOH,@-4`1,\,COOH) -MCat(1, 0.55)(<30,HOCO,!4,COOH,@-4,\`1,COOH) -MCat(1, 0.05)(<30,HOCO,!3,//O,!,COOH,@-4,\`1,COOH) -MCat(0.66,0.05)(<30,HOCO,!3,//O,!,COOH) -MCat(0.33,0.05)(<30,HOCO,!3,//O,!,"{S-CoA}") -MCat(0, 0.05)(<30,HOCO,!3,COOH) -MCat(0, 0.55)(<30,HOCO,!,!~dr,!,COOH) -MCat(0, 1)(<30,HOCO,!3,COOH,3:/OH) -%------------------------------------------------------------------------- +MCat(0.33, 1)(<30,HOCO,!,//O,!2,COOH) % Oxaloacetate +MCat(0.66, 1)(<30,HOCO,!4,COOH,@-4`1,\,COOH,4:/OH^-165) % Citrate +MCat(1, 1)(<30,HOCO,!2,!~dr,!,COOH,@-4`1,\,COOH) % cis-Aconitate +MCat(1, 0.55)(<30,HOCO,!4,COOH,@-4,\`1,COOH) % Isocitrate +MCat(1, 0.05)(<30,HOCO,!3,//O,!,COOH,@-4,\`1,COOH) % Oxalosuccinate +MCat(0.66,0.05)(<30,HOCO,!3,//O,!,COOH) % alfa-Ketoglutarate +MCat(0.33,0.05)(<30,HOCO,!3,//O,!,"{S-CoA}") % Succinyl-CoA +MCat(0, 0.05)(<30,HOCO,!3,COOH) % Succinate +MCat(0, 0.55)(<30,HOCO,!,!~dr,!,COOH) % Fumarate +MCat(0, 1)(<30,HOCO,!3,COOH,3:/OH) % L-Malate +%-------------------------------------------------------------------------------- ext( defaultfont:="uhvr8r"; defaultscale:=0.75; @@ -346,16 +323,16 @@ fsize:=(160mm,75mm); max_blength:=5mm; COOH:='(//O,!,OH); HOCO:='(OH,!,//O,); -MCat(0.33, 1)(<30,HOCO,!,//O,!2,COOH) -MCat(0.66, 1)(<30,HOCO,!4,COOH,@-4`1,\,COOH,4:/OH^-165) -MCat(1, 1)(<30,HOCO,!2,!~dr,!,COOH,@-4`1,\,COOH) -MCat(1, 0.55)(<30,HOCO,!4,COOH,@-4,\`1,COOH) -MCat(1, 0.05)(<30,HOCO,!3,//O,!,COOH,@-4,\`1,COOH) -MCat(0.66,0.05)(<30,HOCO,!3,//O,!,COOH) -MCat(0.33,0.05)(<30,HOCO,!3,//O,!,"{S-CoA}") -MCat(0, 0.05)(<30,HOCO,!3,COOH) -MCat(0, 0.55)(<30,HOCO,!,!~dr,!,COOH) -MCat(0, 1)(<30,HOCO,!3,COOH,3:/OH) +MCat(0.33, 1)(<30,HOCO,!,//O,!2,COOH) % Oxaloacetate +MCat(0.66, 1)(<30,HOCO,!4,COOH,@-4`1,\,COOH,4:/OH^-165) % Citrate +MCat(1, 1)(<30,HOCO,!2,!~dr,!,COOH,@-4`1,\,COOH) % cis-Aconitate +MCat(1, 0.55)(<30,HOCO,!4,COOH,@-4,\`1,COOH) % Isocitrate +MCat(1, 0.05)(<30,HOCO,!3,//O,!,COOH,@-4,\`1,COOH) % Oxalosuccinate +MCat(0.66,0.05)(<30,HOCO,!3,//O,!,COOH) % alfa-Ketoglutarate +MCat(0.33,0.05)(<30,HOCO,!3,//O,!,"{S-CoA}") % Succinyl-CoA +MCat(0, 0.05)(<30,HOCO,!3,COOH) % Succinate +MCat(0, 0.55)(<30,HOCO,!,!~dr,!,COOH) % Fumarate +MCat(0, 1)(<30,HOCO,!3,COOH,3:/OH) % L-Malate ext( defaultfont:="uhvr8r"; defaultscale:=0.75; |