From 44348e1db56f09b2409c6372d5b8f53b0b9f1962 Mon Sep 17 00:00:00 2001 From: Karl Berry Date: Sun, 12 Dec 2021 22:29:25 +0000 Subject: mcf2graph (12dec21) git-svn-id: svn://tug.org/texlive/trunk@61284 c570f23f-e606-0410-a88d-b1316a301751 --- Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG | 13 +++- Master/texmf-dist/doc/metapost/mcf2graph/README | 2 +- .../doc/metapost/mcf2graph/mcf_data_base.mcf | 24 +++++--- .../doc/metapost/mcf2graph/mcf_exa_soc.mf | 8 ++- .../doc/metapost/mcf2graph/mcf_example.pdf | Bin 318151 -> 312162 bytes .../doc/metapost/mcf2graph/mcf_example.tex | 2 +- .../doc/metapost/mcf2graph/mcf_man_soc.mf | 10 +-- .../doc/metapost/mcf2graph/mcf_manual.pdf | Bin 383617 -> 383180 bytes .../doc/metapost/mcf2graph/mcf_manual.tex | 29 +++++---- .../doc/metapost/mcf2graph/mcf_mplib_exa.pdf | Bin 184407 -> 183635 bytes .../doc/metapost/mcf2graph/mcf_mplib_exa.tex | 67 ++++++++++----------- 11 files changed, 86 insertions(+), 69 deletions(-) (limited to 'Master/texmf-dist/doc/metapost') diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG index 12b0f95163c..6f0b66f6866 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG +++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG @@ -1,6 +1,17 @@ ******************************************************************************* - Changelog of mcf2graph software package by Akira Yamaji 2021-11-23 + Changelog of mcf2graph software package by Akira Yamaji 2022-12-12 ******************************************************************************* +[ver. 4.75 / 2022-12-12] + -change syntax of bond type + {a<}=dl : {a}=dr + {a<}=dr : {a}=dl + -change syntax of fused ring + {(a<,b)}=?6 : (a,b)=?6[3] + {(a<,b)}=?5 : (a,b)=?5[2] + {(a<,b<)}=?6 : (a,b)=?6[2] + -update mcf_data_base.mcf + -update MCF manual,example + [ver. 4.74 / 2021-11-23] -change syntax of fused ring (a,b)=?6[4] => (a,b)=?6 diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README index 73f14b5ee41..348026d4fb8 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 : 4.74 2021-11-23 + version : 4.75 2021-12-12 E-mail : mcf2graph@gmail.com Located at : http://www.ctan.org/pkg/mcf2graph ******************************************************************************** diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf index cdcc6425238..2fd8222db10 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% molecular data base file mcf_data_base.mcf by Akira Yamaji 2021.11.23 +% molecular data base file mcf_data_base.mcf by Akira Yamaji 2021.12.12 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % tag1:var1;tag2:var2;tag3:var3 ..... % first character of line "%" comment out @@ -440,9 +440,9 @@ Cat:biological;EN:Febrifugine;MW:301.34;EXA:1 +------------------------------------------------------------------------------ Cat:biological;EN:Hypericin;MW:504.44;EXA:1 + -<30,Ph,{-4,(11,4),(10,12),(9,-4),(19,13),(27,14),(18,24)}=?6, - {12,20,22,29,31,33,35}=dl,{16,18,27}=dr, - {7,21}://O,{2,6,17,23,25,28}:/OH,{19,26}:/_ +<30,Ph,{-4,-3,(11,4),(16<,17),19,(23<,24),(22,29)}=?6, + {12,14,16,17,22<,24,26,28,33,35}=dl, + {7,25}://O,{13,26}:/_, {2,6,11,21,23,28}:/OH +------------------------------------------------------------------------------ Cat:biological;EN:Camphor;MW:152.23;EXA:1 + @@ -481,7 +481,7 @@ Cat:biological;EN:Reserpine;MW:608.688;EXA:1 +------------------------------------------------------------------------------ Cat:biological;EN:Rotenone;MW:394.423;EXA:1 + -<-60,?5,{-3,-2,-3,-4}=?6,{7,9,-2,-4}=dl,{3,17}=dr, +<-60,?5,{-3,-2,-3,-4}=?6,{3<,7,9,17<,-2,-4}=dl, {2,13,16}:O,10://O,{11^-60,12^60}:*/H,{-2,-3}:/O!,@1,*\,/_,!! +------------------------------------------------------------------------------ Cat:biological;EN:Pyrethrin I;MW:328.452;EXA:1 @@ -525,7 +525,7 @@ Cat:biological;EN:Atoropin;MW:289.375;EXA:1 +------------------------------------------------------------------------------ Cat:biological;EN:Colchicine;MW:399.443;EXA:1 + -<30,Ph,{1,2,6}:/O!,-4=?7,-5=?7,{-1,-4,-6}=dl,-2://O,-3:/O!,9:/NHCO! +<30,Ph,{1,2,6}:/O!,{-4,-5}=?7,{-1,-4,-6}=dl,-2://O,-3:/O!,9:/NHCO! +------------------------------------------------------------------------------ Cat:biological;EN:Lycorine;MW:287.315;EXA:1 + @@ -581,6 +581,7 @@ Cat:synthetic;EN:Hexaphenylbenzene;MW:534.6876;EXA:1 + <30,Ph,{1,2,3,4,5,6}:/Ph +------------------------------------------------------------------------------ +%============================================================================== Cat:synthetic;EN:Naphthalene;MW:128.17;EXA:- + <30,Ph,3=Ph @@ -605,10 +606,15 @@ Cat:synthetic;EN:Pyrene;MW:202.25;EXA:- + <30,Ph2,{6,4}=Ph,(16,7)=?6[3],-2=dl +------------------------------------------------------------------------------ +Cat:synthetic;EN:Coronene;MW:300.35;EXA:1 ++ +<30,Ph,{1,(11,2),(15,3),(19,4),(23,5),(27<,7)}=?6, + {9,12,14,17,20,22,25,28,30}=dl ++------------------------------------------------------------------------------ Cat:synthetic;EN:Kekulene;MW:600.7;EXA:1 + -<30,Ph,{3,-2,-3,-2,-3,-2,-3,-2,-3,-2}=?6,(-3,6)=?6[3],@-4,&6, - {8,12,14,16,18,22,24,26,28,32,34,36,38,42,44,46,48,52,54,56,58}=dl +<30,?6,{3,-3,-2,-3,-2,-3,-2,-3,-2,-3,(-2<,5<),(5<,-4<)}=?6, + {1,5<,7,9,11,13,17,19,21,23,27,29,31,33,37,39,41,43,47,49,51,53,57,60}=dl +------------------------------------------------------------------------------ %============================================================================== Cat:synthetic;EN:12-Crown-4;MW:176.21;EXA:- @@ -2039,7 +2045,7 @@ Cat:antibacterial;EN:Difloxacin;MW:399.398;EXA:1 <30,Ph,-4=?6,9=dl,7:N,6:/F,9:/COOH,10://O,@1,\,|,?6,{1,4}:N,4:/_, ||,@7,\,Ph,-3:/F +------------------------------------------------------------------------------ -Cat:antibacterial;EN:Sulfamonomethoxine;MW:280.302;EXA:1 +Cat:antibacterial;EN:Sulfamonomethoxine;MW:280.302;EXA:- + <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,4}:N,3:/O! +------------------------------------------------------------------------------ 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 ae52c16ef57..9dd7c5ee311 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf @@ -1,13 +1,15 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2021.11.23 +% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2021.12.12 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -input mcf2graph.mf; %%% it must be version 4.74 -message "* mcf_exa_soc 2021.11.23"; +input mcf2graph.mf; %%% it must be version 4.75 +message "* mcf_exa_soc 2021.12.12"; message ""; %------------------------------------------------------------------------------ fsize:=(35mm,24mm); max_blength:=4mm; %%%%sw_frame:=Outside; +%%%%sw_numbering:=Bond; +%%%%sw_numbering:=Atom; tag1:="J"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW"; %------------------------------------------------------------------------------ %% outputformat:="png"; hppp:=vppp:=0.1; outputtemplate:="%j-%3c.png"; diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf index 3b8a2197f14..2d5e9c832eb 100644 Binary files a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf and b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf differ diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex index 784cc689162..70da8707d50 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2021.11.23 +% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2021.12.12 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage{graphicx} 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 a4aff9747a5..bed8e2420a8 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf @@ -1,9 +1,9 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2021.11.23 +% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2021.12.12 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -input mcf2graph.mf; %% it must be version 4.74 +input mcf2graph.mf; %% it must be version 4.75 % ** use data base file 'mcf_data_base.mcf' -message "mcf_man_soc 2021.11.23"; message ""; +message "mcf_man_soc 2021.12.12"; message ""; %------------------------------------------------------------------------ sw_mframe:=0; sw_expand:=0; @@ -326,10 +326,10 @@ beginfont("EN:Steric ring") endfont %*********************************************************************** beginfont("EN:change multi bond") - fsize:=(40mm,8mm); + fsize:=(60mm,8mm); fmargin:=(2mm,3mm); ratio_chain_ring:=1; - MC(<30,!7,{2,4,6}=dr) + MC(<30,!9,{2,4,6,8<}=dl) endfont %*********************************************************************** beginfont("EN:change bond length1") diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf index 84b200b252b..3bb7a0d98c4 100644 Binary files a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf and b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf differ diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex index da90e22f983..22111988277 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 2021.11.23 +% Molecular Coding Format manual by Akira Yamaji 2021.12.12 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage[pdftex]{graphicx} @@ -294,9 +294,9 @@ wb_r : wedge backward (half width) \subsubsection{Change multiple bond type} \index{vf}% \begin{verbatim} -{2,4,6}=dr : 2=dr,4=dr,6=dr +{2,4,6,8<}=dl : 2=dl,4=dl,6=dl,8=dr -<30,!7,{2,4,6}=dr +<30,!7,{2,4,6,8<}=dl \end{verbatim} \MCFgraph %----------------------------------------------------------------------------- @@ -435,7 +435,6 @@ attached bond length (4,11)=?6 : fuse 4/6 ring to B11..B4 (4,11)=?5 : fuse 3/5 ring to B11..B4 (4,11)=?4 : fuse 2/4 ring to B11..B4 -** ?m[n] (4<=m<=6,n=m-2) 1:<30,?6,3=?6,(11,4)=?6 2:<30,?6,3=?6,(11,4)=?5 @@ -450,11 +449,13 @@ attached bond length \begin{verbatim} (Attached 3 bond) -(16,4)=?6[3] : fuse 3/6 ring to B16..B4 -(16,4)=?5[2] : fuse 2/5 ring to B16..B4 +(16,4)=?6[3] or {(16<,4)}=?6 + : fuse 3/6 ring to B16..B4 +(16,4)=?5[2] or {(16<,4)}=?5 + : fuse 2/5 ring to B16..B4 ** ?m[n] (5<=m<=6,n=m-3) -1:?6,{3,10}=?6,(16,4)=?6[3] +1:?6,{3,10,(16<,4)}=?6 2:?6,{3,10}=?6,(16,4)=?5[2] \end{verbatim} \MCFgraph @@ -466,9 +467,10 @@ attached bond length \begin{verbatim} (Attached 4 bond) -(21,4)=?6[2] : fuse 2/6 ring to B21..B4 +(21,4)=?6[2] or {(21<,4<)}=?6 + : fuse 2/6 ring to B21..B4 -MC(<-30,?6,{3,10,15}=?6,(21,4)=?6[2]) +<-30,?6,{3,10,15,(21<,4<)}=?6 ** ?m[n] (m=6,n=2) \end{verbatim} @@ -489,12 +491,9 @@ MC(<-30,?6,{3,10,15}=?6,(21,4)=?6[2]) \begin{verbatim} / : group start single bond -/_ : methyl -/! : ethyl -/!2 : propyl -/?! : isopropyl -/??! : tert-butyl -/Ph : phenyl +/_ : methyl /! : ethyl +/!2 : propyl /?! : isopropyl +/??! : tert-butyl /Ph : phenyl <30,!,/_,!2,/!,!2,/!2,!4,/?!, !4,/??!,!2,/Ph^-60,! 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 9c6692579e9..f0bb0acc09f 100644 Binary files a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf and b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf 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 872571ec989..b2bdbe8ff17 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex @@ -1,7 +1,7 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2021.11.23 +% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2021.12.12 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% ** mcf2graph.mf must be version 4.74 +% ** mcf2graph.mf must be version 4.75 % ** use mcf_data_base.mcf \documentclass{article} %------------------------------------------------------------------------------ @@ -40,9 +40,8 @@ \noindent% %------------------------------------------------------------------------------------ use molecular data base file 'mcf\_exa\_data.mcf'\\ -{{\tt FM(C) :} molecular formula calculated by mcf2graph\\ -{{\tt MW(C) :} molecular weight calculated by mcf2graph\\ -{{\tt MW(D) :} molecular weight from literature data +{{\tt FM(fm) :} molecular formula (calculated)\\ +{{\tt MW(mw) :} molecular weight (calculated)\\ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \subsection{Chlorophyll a} \noindent% @@ -52,9 +51,9 @@ beginfont("f:mcf_data_base.mcf","t:EN","v:Chlorophyll a","NO:-", 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));) + label.lrt("fm: "&cal_FM,(0,h-5mm)); + label.lrt("mw: "&cal_MW,(0,h-9mm)); + label.lrt("MW: "&inf_MW,(0,h-13mm));) endfont \end{verbatim} %------------------------------------------------------------------------------------ @@ -64,9 +63,9 @@ beginfont("f:mcf_data_base.mcf","t:EN","v:Chlorophyll a","NO:-", 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));) + label.lrt("fm: "&cal_FM,(0,h-5mm)); + label.lrt("mw: "&cal_MW,(0,h-9mm)); + label.lrt("MW: "&inf_MW,(0,h-13mm));) endfont \end{mplibcode} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% @@ -78,9 +77,9 @@ beginfont("t:EN","v:Okadaic acid","EN:Dinophysistoxin-1", 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));) + label.lrt("fm: "&cal_FM,(0,h-5mm)); + label.lrt("mw: "&cal_MW,(0,h-9mm)); + label.lrt("MW: "&inf_MW,(0,h-13mm));) endfont; \end{verbatim} %---------------------------------------------------------------------------- @@ -90,9 +89,9 @@ beginfont("t:EN","v:Okadaic acid","EN:Dinophysistoxin-1", 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));) + label.lrt("fm: "&cal_FM,(0,h-5mm)); + label.lrt("mw: "&cal_MW,(0,h-9mm)); + label.lrt("MW: "&inf_MW,(0,h-13mm));) endfont; \end{mplibcode} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% @@ -126,9 +125,9 @@ 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));) + label.lrt("fm: "&cal_FM,(0,h-5mm)); + label.lrt("mw: "&cal_MW,(0,h-9mm)); + label.lrt("MW: "&inf_MW,(0,h-13mm));) endfont; \end{mplibcode} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% @@ -158,9 +157,9 @@ 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));) + label.lrt("fm: "&cal_FM,(0,h-5mm)); + label.lrt("mw: "&cal_MW,(0,h-9mm)); + label.lrt("MW: "&inf_MW,(0,h-13mm));) endfont \end{mplibcode} %---------------------------------------------------------------------------- @@ -168,10 +167,10 @@ endfont \noindent% \begin{verbatim} beginfont("EN:Kekulene","MW:600.7", - %----------------------------------------------------------------------- - ": <30,Ph,{3,-2,-3,-2,-3,-2,-3,-2,-3,-2}=?6,(-3,6)=?6[3],@-4,&6, ", - ": {8,12,14,16,18,22,24,26,28,32,34,36,38,42,44,46,48,52,54,56,58}=dl ") - %----------------------------------------------------------------------- + %------------------------------------------------------------------------------ + ": <30,?6,{3,-3,-2,-3,-2,-3,-2,-3,-2,-3,(-2<,5<),(5<,-4<)}=?6, ", + ": {1,5<,7,9,11,13,17,19,21,23,27,29,31,33,37,39,41,43,47,49,51,53,57,60}=dl ") + %------------------------------------------------------------------------------ fsize:=(120mm,25mm); if check(mc)=0: MC(scantokens(mc)) fi endfont @@ -179,14 +178,14 @@ endfont %---------------------------------------------------------------------------- \begin{mplibcode} beginfont("EN:Kekulene","MW:600.7", - ": <30,Ph,{3,-2,-3,-2,-3,-2,-3,-2,-3,-2}=?6,(-3,6)=?6[3],@-4,&6, ", - ": {8,12,14,16,18,22,24,26,28,32,34,36,38,42,44,46,48,52,54,56,58}=dl ") + ": <30,?6,{3,-3,-2,-3,-2,-3,-2,-3,-2,-3,(-2<,5<),(5<,-4<)}=?6, ", + ": {1,5<,7,9,11,13,17,19,21,23,27,29,31,33,37,39,41,43,47,49,51,53,57,60}=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));) + label.lrt("fm: "&cal_FM,(0,h-5mm)); + label.lrt("mw: "&cal_MW,(0,h-9mm)); + label.lrt("MW: "&inf_MW,(0,h-13mm));) endfont \end{mplibcode} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% @@ -215,7 +214,7 @@ endfont \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}% +{\tt ** EN:\EN \quad mw:\MW \quad MW:\mw \quad fm:\fm}% %-------------------------------------------------------------------------------- \end{verbatim} %-------------------------------------------------------------------------------- @@ -238,7 +237,7 @@ endfont \infotovar{\info} %%%% info to variables %%%% \closein\auxfile% \verbatiminput{temp-mc.aux} %%%% input temp-mc.aux %%%% -{\tt ** EN:\EN \quad MW(C):\MW \quad MW(D):\mw \quad FM(C):\fm}% +{\tt ** EN:\EN \quad mw:\MW \quad MW:\mw \quad fm:\fm}% %-------------------------------------------------------------------------------- %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \newpage -- cgit v1.2.3