diff options
Diffstat (limited to 'Master')
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG | 9 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/README | 9 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf | 1595 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf | bin | 535779 -> 1119097 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex | 4 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf | 45 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf | bin | 617135 -> 618298 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex | 144 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf | bin | 202477 -> 202662 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex | 4 | ||||
| -rw-r--r-- | Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf | 172 |
11 files changed, 1109 insertions, 873 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG index 8bf1b7f3d57..c2864f051f1 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG +++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG @@ -1,6 +1,13 @@ ******************************************************************************* - Changelog of mcf2graph software package by Akira Yamaji 2021-02-21 + Changelog of mcf2graph software package by Akira Yamaji 2021-02-28 ******************************************************************************* +[ver. 4.59 / 2021-02-28] + -add command @(x,y) : move to (x,y) + -improve function check_mc() + -improve report output + -delete option parameter sw_indent_off + -update MCF manual,example + [ver. 4.58 / 2021-02-21] -change syntax "+" => p_ diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README index dd818987a10..72cb7303d85 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 : 4.58 2021-02-21 + version : 4.59 2021-02-28 E-mail : mcf2graph@gmail.com Located at : http://www.ctan.org/pkg/mcf2graph ******************************************************************************** @@ -39,8 +39,11 @@ ( 5) >mpost -s ahangle=13 FILENAME => output png file (1200dpi) ( 6) >mpost -s ahangle=2 FILENAME => output svg file ( 7) >mpost -s ahangle=3 FILENAME => output eps file (.eps) - ( 8) >mpost -s ahlength=1 FILENAME => output aux file (tag1:var1;tag2:var2;) - ( 9) >mpost -s ahlength=2 FILENAME => output aux file (tag1;tag2; var1;var2;) + ( 8) >mpost -s ahlength=1 FILENAME => output aux file + tag1:var1;tag2:var2; + ( 9) >mpost -s ahlength=2 FILENAME => output aux file + tag1;tag2; + var1;var2; (10) >mpost -s ahlength=3 FILENAME => output report file (11) >mpost -s ahlength=5 FILENAME => output mol file(V2000) (12) >mpost -s ahlength=6 FILENAME => output mol file(V3000) 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 65420533fc0..29b95a2ecdc 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 +1,13 @@ -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2021.02.21 -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -input mcf2graph.mf; %%% it must be version 4.58 -message "* mcf_exa_soc 2021.02.21"; +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2021.02.28 +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +input mcf2graph.mf; %%% it must be version 4.59 +message "* mcf_exa_soc 2021.02.28"; message ""; -%------------------------------------------------------------------------- +%------------------------------------------------------------------------------ fsize:=(35mm,24mm); max_blength:=4.5mm; -%------------------------------------------------------------------------- +%------------------------------------------------------------------------------ %%%%sw_aux_out:=1; %%%%sw_fframe:=1; %%%%sw_aframe:=1; @@ -23,495 +23,595 @@ tag1:="F"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW"; %%%% atomfont:="cmtt8"; %%%% atomfont:="cmvtt10"; %%%% outputformat:="png"; hppp:=vppp:=0.1; outputtemplate:="%j-%3c.png"; -%--------------------------------------------------------------------------- +%------------------------------------------------------------------------------ %%%% ext(nA:=10mm; pickup pencircle scaled 0.1pt; %%%% draw(0,0)--(w,0)--(w,h)--(0,h)--cycle; %%%% for i=nA step nA until w: draw(i,0)--(i,h); endfor %%%% for i=nA step nA until h: draw(0,i)--(w,i); endfor ); -%--------------------------------------------------------------------------- -%%%%ext(defaultfont:="uhvr8r"; defaultscale:=.3; label.lrt(mc,(-2bp,1.5bp));) -%*************************************************************************** -beginfont("EN:Adenine","MW:135.13") - MC(<30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH) -endfont -%*************************************************************************** -beginfont("EN:Guanine","MW:151.13") - MC(<30,?6,3=?5,{1,3,9}=dl,{2,9}:N,{6,7}:NH,5://O,1:/NH2) -endfont -%*************************************************************************** -beginfont("EN:Cytosine","MW:111.10") - MC(<30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2) -endfont -%*************************************************************************** -beginfont("EN:Thymine","MW:126.11") - MC(<30,?6,3=dl,{2,6}:NH,{1,5}://O,4:/_) -endfont -%*************************************************************************** -beginfont("EN:Uracil","MW:112.09") - MC(<30,?6,6=dl,{3,5}://O,{2,4}:NH) -endfont -%*************************************************************************** -beginfont("EN:Geraniol","MW:154.25") - MC(<30,!8,OH,{2,6}=dr,{2,6}:/_) -endfont -%*************************************************************************** -beginfont("EN:Limonene","MW:136.24") - MC(<30,?6,2=dl,2:/_,@5,*\,/_,!!) -endfont -%*************************************************************************** -beginfont("EN:l-Menthol","MW:156.27") - MC(<30,?6,2:/*?!,5:*/_,3:*/OH) -endfont -%*************************************************************************** -beginfont("EN:Vanillin","MW:152.15") - MC(<30,Ph,2:/OH,3:/O!,5:/CHO) -endfont -%*************************************************************************** -beginfont("EN:Allicin","MW:162.28") - MC(<-30,!!,!2,SO,!,S,!2,!!) -endfont -%*************************************************************************** -beginfont("EN:Stearic acid","MW:284.48") - MC(<30,!17,COOH) -endfont -%*************************************************************************** -beginfont("EN:Linoleic acid","MW:280.45") - MC(<30,!5,-30,-30,!,-30,-30,!7,COOH,{6,9}=dr) -endfont -%*************************************************************************** -beginfont("EN:Sphingosine","MW:299.50") - MC(<30,!18,OH,14=dr,-3:*/OH,-2:/*NH2) -endfont -%************************************************************************** -beginfont("EN:Tocopherol","MW:430.717") - MC(<30,Ph,3=?6,7:O,{1,2,5}:/_,8:/*_^60,6:/OH,@8,\,|,!12,{4,8}:/*_,12:/_) -endfont -%*************************************************************************** -beginfont("EN:Carotene","MW:536.8726") - MC(<30,?6,4=dl,3:??,5:/_, - @4,\,|,!18,{1,3,5,7,9,11,13,15,17}=dr,{3,7,12,16}:/_, - ?6,-6=dl,-5:/_,-1:??) -endfont -%*************************************************************************** -beginfont("EN:Adrenalin","MW:183.21") - MC(<30,Ph,{1,6}:/OH,@4,\,*/OH,!2,NH,!) -endfont -%*************************************************************************** -beginfont("EN:Caffeine","MW:194.194") - MC(<30,?6,3=dl,{1,5}://O,-4=?5,-3=dl,7:N,{2,6,9}:N!) -endfont -%*************************************************************************** -beginfont("EN:Nicotine","MW:162.23"); - MC(<30,Ph,2:N,@4,\,?5,8:N!) +%------------------------------------------------------------------------------ +%%%% ext(defaultfont:="uhvr8r"; defaultscale:=.3; label.lrt(mc,(-2bp,1.5bp));) +%****************************************************************************** +beginfont("EN:Adenine","MW:135.13", + ": <30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Guanine","MW:151.13", + ": <30,?6,3=?5,{1,3,9}=dl,{2,9}:N,{6,7}:NH,5://O,1:/NH2") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Cytosine","MW:111.10", + ": <30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Thymine","MW:126.11", + ": <30,?6,3=dl,{2,6}:NH,{1,5}://O,4:/_") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Uracil","MW:112.09", + ": <30,?6,6=dl,{3,5}://O,{2,4}:NH") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Geraniol","MW:154.25", + ": <30,!8,OH,{2,6}=dr,{2,6}:/_") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Limonene","MW:136.24", + ": <30,?6,2=dl,2:/_,@5,*\,/_,!!") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:l-Menthol","MW:156.27", + ": <30,?6,2:/*?!,5:*/_,3:*/OH") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Vanillin","MW:152.15", + ": <30,Ph,2:/OH,3:/O!,5:/CHO") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Allicin","MW:162.28", + ": <-30,!!,!2,SO,!,S,!2,!!") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Stearic acid","MW:284.48", + ": <30,!17,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Linoleic acid","MW:280.45", + ": <30,!5,-30,-30,!,-30,-30,!7,COOH,{6,9}=dr") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Sphingosine","MW:299.50", + ": <30,!18,OH,14=dr,-3:*/OH,-2:/*NH2") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Tocopherol","MW:430.717", + ": <30,Ph,3=?6,7:O,{1,2,5}:/_,8:/*_^60,6:/OH,@8,\,|,!12,{4,8}:/*_,12:/_") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Carotene","MW:536.8726", + ": <30,?6,4=dl,3:??,5:/_, ", + ": @4,\,|,!18,{1,3,5,7,9,11,13,15,17}=dr,{3,7,12,16}:/_, ", + ": ?6,-6=dl,-5:/_,-1:?? ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Adrenalin","MW:183.21", + ": <30,Ph,{1,6}:/OH,@4,\,*/OH,!2,NH,!") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Caffeine","MW:194.194", + ": <30,?6,3=dl,{1,5}://O,-4=?5,-3=dl,7:N,{2,6,9}:N!") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Nicotine","MW:162.23", + ": <30,Ph,2:N,@4,\,?5,8:N!") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont; -%************************************************************************** -beginfont("EN:Capsaicin","MW:305.418") - MC(<30,Ph,1:/OH,6:/O!,@4,\,!,NH,!,//O,!7,?!,-3=dl) -endfont -%*************************************************************************** -beginfont("EN:Thiamine","MW:300.81") - MC(<30,Ph,4:/NH2,@3,\`1,!,<-12,?5,{-1,-4}=dl,{1,5,8}:N,11:S,{6,9}:/_, - @-3,\,!2,OH,8:p_^72) - MCat(.95,.75)(Cl,n_^15) -endfont -%************************************************************************** -beginfont("EN:Gibberellin A3","MW:346.379"); - MC(<18,?5,3=?7,5=?6[12],@8,160`1.3,&3,13=dl,6=wf,8=wb, - @5,40~zf`1,O,50,//O^180,&14~zb, - 2:/COOH,7://_,13:*/OH,8:/*OH,14:*/_,{1,4}:*/H^60) +%****************************************************************************** +beginfont("EN:Capsaicin","MW:305.418", + ": <30,Ph,1:/OH,6:/O!,@4,\,!,NH,!,//O,!7,?!,-3=dl") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Thiamine","MW:300.81", + ": <30,Ph,4:/NH2,@3,\`1,!,<-12,?5,{-1,-4}=dl,{1,5,8}:N,11:S,{6,9}:/_, ", + ": @-3,\,!2,OH,8:p_^72,@(6.7,1.5),Cl,n_^15 ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Gibberellin A3","MW:346.379", + ": <18,?5,3=?7,5=?6[12],@8,160`1.3,&3,13=dl,6=wf,8=wb, ", + ": @5,40~zf`1,O,50,//O^180,&14~zb, ", + ": 2:/COOH,7://_,13:*/OH,8:/*OH,14:*/_,{1,4}:*/H^60 ") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont; -%************************************************************************** -beginfont("EN:Cholesterol","MW:386.664") - MC(<30,?6,{-4,-2}=?6,-4=?5,7=dl, - 1:*/OH,{4,12}:*/_^60, - 10:/*H^180,{11,-1}:/*H^-60,9:*/H^60,@-1,17,/*_,!4,?!) -endfont -%*************************************************************************** -beginfont("EN:Riboflavin","MW:376.37") - MC(<30,Ph,3=?6,9=?6,{8,16}=dl,{7,10,14}:N,12:NH,{11,13}://O,{1,6}:/_, - @10,\`1.2,!,*/OH,!,/*OH,!,*/OH,!2,OH) -endfont -%*************************************************************************** -beginfont("EN:Resveratrol","MW:228.24") - MC(<30,Ph,@4,\,!!,!,Ph,{2,6,-3}:/OH) -endfont -%*************************************************************************** -beginfont("EN:Glutathione","MW:307.33") - MC(<-30,COOH,!,/*NH2,!3,//O,!,NH,!,*/!SH,!,//O,!,NH,!2,COOH) -endfont -%*************************************************************************** -beginfont("EN:Hexaphenylbenzene","MW:534.6876") - MC(<30,Ph,{1,2,3,4,5,6}:/Ph) -endfont -%*************************************************************************** -beginfont("EN:Kekulene","MW:600.7") - MC(<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) -endfont -%*************************************************************************** -beginfont("EN:18-Crown-6","MW:264.32") - MC(<-180,O,60,60,60,O,-60,60,60,O,-60,60,60, - O,-60,60,60,O,-60,60,60,O,-60,60,&1) -endfont -%*************************************************************************** -beginfont("EN:Porphyrin","MW:310.4") -MC(<9,#1,?5,@3,\,54,?5,@-2,\,54,?5,@-2,\,54,?5,@-2,\,&5,##, - {1,4,6,8,10,14,16,18,21,23,27}=dl,{4,17}:N,{11,23}:NH) -endfont -%*************************************************************************** -beginfont("EN:Sulflower","MW:448.69") - MC(<67.5,?8,{1,3,5,7}=?5,@11,30`1.15,&12,@14,30`1.15,&15, - @17,30`1.15,&18,@20,30`1.15,&9,{9,12,13,16,17,20,21,24}=dl, - {10,13,16,19,21,22,23,24}:S) -endfont -%*************************************************************************** -beginfont("EN:Arsphenamine x5","MW:915.2") - MC(<18,?5,{1,2,3,4,5}:As,{1,2,3,4,5}:/'(Ph,3:/NH2,4:/OH)) -endfont -%*************************************************************************** -beginfont("EN:Melamine","MW:126.12") - MC(<30,Ph,{2,4,6}:N,{1,3,5}:/NH2) -endfont -%*************************************************************************** -beginfont("EN:Sudan red 1","MW:248.28") - MC(<30,Ph,1=Ph,4:/OH,@3,\,N,!!,N,!,Ph) -endfont -%*************************************************************************** -beginfont("EN:Basic blue 1","MW:319.86") - MC(<30,Ph,3=Ph,6=Ph,2:S,5:N,{8,13}:/N?!,2:p_) - MCat(1,.7)(Cl,n_^15) -endfont -%*************************************************************************** -beginfont("EN:Disperse violet 1","MW:238.25") - MC(<30,Ph,3=?6,-3=dr,9=Ph,{7,10}://O,{-1,-4}:/NH2) -endfont -%*************************************************************************** -beginfont("EN:Vat blue 1","MW:262.27") - MC(<30,Ph,3=?5,@8,\\,?5,-3=dr,-3=Ph,{7,14}:NH,{9,11}://O) -endfont -%*************************************************************************** -beginfont("EN:Atrazine","MW:215.7") - MC(<30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2,3:/NH!?!) -endfont -%*************************************************************************** -beginfont("EN:BHC","MW:290.83") - MC(<30,?6`1.2,{1,3,4,6}:*/Cl,{2,5}:/*Cl) -endfont -%*************************************************************************** -beginfont("EN:pp-DDT","MW:354.49") - MC(<30,Ph,6:/Cl,@3,\,/CCl3,!,Ph,-3:/Cl) -endfont -%*************************************************************************** -beginfont("EN:Endrin","MW:380.91") -MC(<30,?6`1.3,3=?6,6=dl,9=?3,-1:O, - @2,210~wf`1.5,&5~wb,@7,210~zf`1.5,&10~zb, - {1,2,5,6,12^-210,12^-150}:/Cl) -endfont -%*************************************************************************** -beginfont("EN:Acrinathrin","MW:541.45") -MC(<-30,?3,2^-35:*/_,2^35:/*Me, - @1,\,!~dl,!,//O,!,O,!,/CF3,!,CF3,@3,\,//O,!,O,!,/CN,!,Ph,@-4,\,O,-60,Ph) -endfont -%*************************************************************************** -beginfont("EN:Cafenstrole","MW:350.4") -MC(<30,Ph,{2,4,6}:/_,@3,\,SOO,!,|,?5,{2,5}=dl,{2,4,5}:N,@-2,\,//O,!,N,/!,!2) -endfont -%*************************************************************************** -beginfont("EN:Carfentrazone-ethyl","MW:412.19") - MC(<30,Ph,4:/F,6:/Cl,@1,\,!,/Cl,!,//O,!,O,!2, - @3,\,|,?5,4=dl,{1,3,5}:N,-4://O,-3:/CF2,-2:/_) -endfont -%*************************************************************************** -beginfont("EN:Carboxin","MW:235.301") -MC(<30,?6,3=dl,2:S,5:O,4:/_,@3,\,//O,!,NH,!,Ph) -endfont -%*************************************************************************** -beginfont("EN:Clomazone","MW:239.7") - MC(<30,Ph,2:/Cl,@3,\,!,|,?5,1:N,2:O,-2^-35:/_,-2^35:/_,-1://O) -endfont -%*************************************************************************** -beginfont("EN:Halfenprox","MW:477.4") - MC(<30,Ph,@6,\,O,!,/F^35,/F^-35,!,Br,@3,\,!,??,!,O,!,!,Ph,@-2,\,O,60,Ph) -endfont -%*************************************************************************** -beginfont("EN:Paraquat","MW:257.16") - MC(Ph,@4,\,Ph,{1,10}:N!,1:p_^-90,10:p_^90) - MCat(1,.75)(Cl,n_^15) - MCat(1,.60)(Cl,n_^15) -endfont -%*************************************************************************** -beginfont("EN:Picolinafen","MW:376.331") - MC(<30,Ph,5:/CF3,@3,\,O,!,|,Ph,2:N,@3,\,//O,!,NH,!,|,Ph,4:/F) -endfont -%*********************************************************************** -beginfont("EN:Quinoxyfen","MW:308.13") - MC(<30,Ph,4=Ph,10:N,{2,6}:/Cl,@7,\,O,!,|,Ph,4:/F) -endfont -%*********************************************************************** -beginfont("EN:Quitozene","MW:295.3") - MC(<30,Ph,{1,2,3,4,6}:/Cl,5:/NO2) -endfont -%*************************************************************************** -beginfont("EN:Bitertanol","MW:337.4") - MC(<30,Ph,@3,\,Ph,@-3,\,O,!2,/OH,!,??!,@14,\,|,?5,{2,4}=dl,{1,2,4}:N) -endfont -%*************************************************************************** -beginfont("EN:Bifenox","MW:342.14") - MC(<30,Ph,{4,6}:/Cl,@3,\,O,!,Ph,-4:/COO!,-3:/NO2) -endfont -%*************************************************************************** -beginfont("EN:Simeconazole","MW:293.417") - MC(<36,?5,{1,3,5}:N,{1,4}=dl, - @3,30,!,/OH^30,!2,Si,/_,/_^60,!,@7,-30,Ph,-3:/F) -endfont -%*************************************************************************** -beginfont("EN:Fenamidone","MW:311.403") - MC(<18,?5,4=dl,{3,5}:N,2://O,@3,\,NH,!,Ph,4:/S!,1^52:*/_,1^-48~zf:/Ph) -endfont -%*************************************************************************** -beginfont("EN:Fenpyroximate","MW:421.49") - MC(<-6,?5,{3,5}=db,{1,2}:N,{2,5}:/Me,@3,\^-15,O,!,Ph, - @4,\,!~dr,N,!,O,!2,|,Ph,@4,\,//O,-60,O,!4) -endfont -%*************************************************************************** -beginfont("EN:Chlorsulron","MW:380.648") - MC(<30,Ph,6:/NH2,@1,\,SOO,!,NH2,@3,\,SOO,!,NH2,@4,\,/Cl,60~dl,/Cl,!,Cl) -endfont -%*************************************************************************** -beginfont("EN:Enrofloxacin","MW:359.401") - MC(<30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O,@1,\,|,?6,1:N,4:N,4:/!) -endfont -%*************************************************************************** -beginfont("EN:Fenitrothion","MW:277.23") - MC(<-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,3:/_,2:/NO2) -endfont -%*************************************************************************** -beginfont("EN:Fipronil","MW:437.2") -MC(<30, Ph,{2,4}:/Cl,6:/CF3,@3,\,|,?5,{2,4}=dl,{1,2}:N,3:/CN,5:/NH2, - @-2,\,S,//O,!,CF3) -endfont -%*************************************************************************** -beginfont("EN:Flumequine","MW:261.225") - MC(<30,Ph,3=?6,(2,7)=?6[4],9=dl,7:N,6:/F,9:/COOH,10://O,13:/_) -endfont -%*************************************************************************** -beginfont("EN:Imazalil","MW:297.2") - MC(<-30,!2,O,!2,!~dr,@1,60,|,?5,{2,4}=dl,{1,3}:N,@.$2,\,|,Ph,{4,6}:/Cl) -endfont -%*************************************************************************** -beginfont("EN:Imidacloprid","MW:255.662") - MC(<30,Ph,1:N,6:/Cl,@3,\,!,|,?5,2=dl,1:N,3:N,2:/'(NH,!,NO2)) -endfont -%*********************************************************************** -beginfont("EN:Kresoxim-Methyl","MW:313.348") - MC(<30,Ph,@3,\,/COO!,!~dr,N,!,O,!,@4,\,!,O,!,Ph,-1:/_) -endfont -%*************************************************************************** -beginfont("EN:Nalidixic acid","MW:232.239") - MC(<30,Ph,3=?6,9=dl,5:N,6:/_,7://O,8:/COOH,10:N!2) -endfont -%*********************************************************************** -beginfont("EN:Oryzalin","MW:346.4") - MC(<30,Ph,{1,3}:/NO2,@5,\,SOO,!,NH2,@2,\,/!2,N,!3) -endfont -%*********************************************************************** -beginfont("EN:Oxadiazon","MW:345.2") -MC(<30,Ph,{4,6}:/Cl,1:/O!?!,@3,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!) -endfont -%*********************************************************************** -beginfont("EN:Oxadixyl","MW:278.3") - MC(<30,Ph,{2,4}:/_,@3,\,N,!1,//O,!2,O,!,@7,\,|,?5,1:N,2:O,5://O) -endfont -%*********************************************************************** -beginfont("EN:Oxyfluorfen","MW:361.701") -MC(<30,Ph,6:/CF3,4:/Cl,@3,\,O,!,Ph,-3:/NO2,@-4,\,O,!2) -endfont -%*************************************************************************** -beginfont("EN:Sulfadimidine","MW:278.33") - MC(<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,4}:N,{3,5}:/_) -endfont -%*************************************************************************** -beginfont("EN:Sulfamerazine","MW:264.303") - MC(<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,6}:N,3:/_) -endfont -%*************************************************************************** -beginfont("EN:Sulfadoxine","MW:310.328") - MC(<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{4,6}:N,{2,3}:/O!) -endfont -%*************************************************************************** -beginfont("EN:Sulfamethoxazole","MW:253.276") - MC(<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,?5,{2,5}=dl,4:O,5:N,3:/_) -endfont -%*************************************************************************** -beginfont("EN:Thiamethoxam","MW:291.71") - MC(<30,?6,4:N,2:O,6:N!,5://'(N,!,NO2),@4,\,!,|,?5,{1,3}=dl,3:N,5:S,4:/Cl) -endfont -%*************************************************************************** -beginfont("EN:Thiamphenicol","MW:355") - MC(<30,Ph,@1,\,SOO,!,@4,\,/OH,!,/!OH,!`1.1,NH,!`1.1,//O,!,/Cl,!,Cl) -endfont -%*************************************************************************** -beginfont("EN:Pyridaphenthion","MW:340.334") - MC(<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,?6,{1,5}=dl,{2,3}:N,4://O,3:/Ph) -endfont -%*************************************************************************** -beginfont("EN:Permethrin","MW:391.288") - MC(<-30,?3,2^-35:*/_,2^35:/*_,1:/'(!!,/Cl,!,Cl), - @3,\,//O,!,O,!2,|,Ph,@3,\,O,-60,Ph) -endfont -%*************************************************************************** -beginfont("EN:Isoprothiolane","MW:290.392") - MC(<-30,!,?!,O,!,//O,!,//'(?5,2:S,5:S),!,//O,!,O,!,?!) -endfont -%*************************************************************************** -beginfont("EN:Oxine-Copper","MW:351.852") - MC(Ph,4:N,5=Ph,@-4,\,O,-60,<90,Cu,-90,O,60,|,Ph,5=Ph,10:N,||, - @4,&12~vf,@23,&12~vf) -endfont -%*************************************************************************** -beginfont("EN:Tetraconazole","MW:372.145") - MC(<-6, - ?5,{2,5}=dl,{1,2,4}:N,@4,\,!3,O,!,/F^35,/F^-35,!,CF2,@7,\,|,Ph,{4,6}:/Cl) -endfont -%*************************************************************************** -beginfont("EN:Endosulfan","MW:406.904"); - MC(<26,?7,7=?6[13],@11,208~wf`1.45,&8~wb,10=dl,{3,5}:O,4:S,4://O, - {8,9,10,11,12^-210,12^-150}:/Cl) +%****************************************************************************** +beginfont("EN:Cholesterol","MW:386.664", + ": <30,?6,{-4,-2}=?6,-4=?5,7=dl, ", + ": 1:*/OH,{4,12}:*/_^60, ", + ": 10:/*H^180,{11,-1}:/*H^-60,9:*/H^60,@-1,17,/*_,!4,?! ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Riboflavin","MW:376.37", + ": <30,Ph,3=?6,9=?6,{8,16}=dl,{7,10,14}:N,12:NH,{11,13}://O,{1,6}:/_, ", + ": @10,\`1.2,!,*/OH,!,/*OH,!,*/OH,!2,OH ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Resveratrol","MW:228.24", + ": <30,Ph,@4,\,!!,!,Ph,{2,6,-3}:/OH") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Glutathione","MW:307.33", + ": <-30,COOH,!,/*NH2,!3,//O,!,NH,!,*/!SH,!,//O,!,NH,!2,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Hexaphenylbenzene","MW:534.6876", + ": <30,Ph,{1,2,3,4,5,6}:/Ph") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +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") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:18-Crown-6","MW:264.32", + ": <-180,O,60,60,60,O,-60,60,60,O,-60,60,60, ", + ": O,-60,60,60,O,-60,60,60,O,-60,60,&1 ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Porphyrin","MW:310.4", + ": <9,#1,?5,@3,\,54,?5,@-2,\,54,?5,@-2,\,54,?5,@-2,\,&5,##, ", + ": {1,4,6,8,10,14,16,18,21,23,27}=dl,{4,17}:N,{11,23}:NH ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Sulflower","MW:448.69", + ": <67.5,?8,{1,3,5,7}=?5,@11,30`1.15,&12,@14,30`1.15,&15, ", + ": @17,30`1.15,&18,@20,30`1.15,&9,{9,12,13,16,17,20,21,24}=dl, ", + ": {10,13,16,19,21,22,23,24}:S ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Arsphenamine x5","MW:915.2", + ": <18,?5,{1,2,3,4,5}:As,{1,2,3,4,5}:/'(Ph,3:/NH2,4:/OH)") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Melamine","MW:126.12", + ": <30,Ph,{2,4,6}:N,{1,3,5}:/NH2") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Sudan red 1","MW:248.28", + ": <30,Ph,1=Ph,4:/OH,@3,\,N,!!,N,!,Ph") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Basic blue 1","MW:319.86", + ": <30,Ph,3=Ph,6=Ph,2:S,5:N,{8,13}:/N?!,2:p_, ", + ": @(4.2,1.5),Cl,n_^15 ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Disperse violet 1","MW:238.25", + ": <30,Ph,3=?6,-3=dr,9=Ph,{7,10}://O,{-1,-4}:/NH2") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Vat blue 1","MW:262.27", + ": <30,Ph,3=?5,@8,\\,?5,-3=dr,-3=Ph,{7,14}:NH,{9,11}://O") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Atrazine","MW:215.7", + ": <30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2,3:/NH!?!") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:BHC","MW:290.83", + ": <30,?6`1.2,{1,3,4,6}:*/Cl,{2,5}:/*Cl") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:pp-DDT","MW:354.49", + ": <30,Ph,6:/Cl,@3,\,/CCl3,!,Ph,-3:/Cl") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Endrin","MW:380.91", + ": <30,?6`1.3,3=?6,6=dl,9=?3,-1:O, ", + ": @2,210~wf`1.5,&5~wb,@7,210~zf`1.5,&10~zb, ", + ": {1,2,5,6,12^-210,12^-150}:/Cl ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Acrinathrin","MW:541.45", + ": <-30,?3,2^-35:*/_,2^35:/*_, ", + ": @1,\,!~dl,!,//O,!,O,!,/CF3,!,CF3,@3,\,//O,!,O,!,/CN,!,Ph, ", + ": @-4,\,O,-60,Ph ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Cafenstrole","MW:350.4", + ": <30,Ph,{2,4,6}:/_,@3,\,SOO,!,|,?5,{2,5}=dl,{2,4,5}:N,@-2,\,//O,!,N,/!,!2 ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Carfentrazone-ethyl","MW:412.19", + ": <30,Ph,4:/F,6:/Cl,@1,\,!,/Cl,!,//O,!,O,!2, ", + ": @3,\,|,?5,4=dl,{1,3,5}:N,-4://O,-3:/CF2,-2:/_ ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Carboxin","MW:235.301", + ": <30,?6,3=dl,2:S,5:O,4:/_,@3,\,//O,!,NH,!,Ph") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Clomazone","MW:239.7", + ": <30,Ph,2:/Cl,@3,\,!,|,?5,1:N,2:O,-2^-35:/_,-2^35:/_,-1://O") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Halfenprox","MW:477.4", + ": <30,Ph,@6,\,O,!,/F^35,/F^-35,!,Br,@3,\,!,??,!,O,!,!,Ph,@-2,\,O,60,Ph") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Paraquat","MW:257.16", + ": Ph,@4,\,Ph,{1,10}:N!,1:p_^-90,10:p_^90, ", + ": @(5,1),Cl,n_^15,@(-0.5,1),Cl,n_^15 ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Picolinafen","MW:376.331", + ": <30,Ph,5:/CF3,@3,\,O,!,|,Ph,2:N,@3,\,//O,!,NH,!,|,Ph,4:/F") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Quinoxyfen","MW:308.13", + ": <30,Ph,4=Ph,10:N,{2,6}:/Cl,@7,\,O,!,|,Ph,4:/F") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Quitozene","MW:295.3", + ": <30,Ph,{1,2,3,4,6}:/Cl,5:/NO2") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Bitertanol","MW:337.4", + ": <30,Ph,@3,\,Ph,@-3,\,O,!2,/OH,!,??!,@14,\,|,?5,{2,4}=dl,{1,2,4}:N") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Bifenox","MW:342.14", + ": <30,Ph,{4,6}:/Cl,@3,\,O,!,Ph,-4:/COO!,-3:/NO2") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Simeconazole","MW:293.417", + ": <36,?5,{1,3,5}:N,{1,4}=dl, ", + ": @3,30,!,/OH^30,!2,Si,/_,/_^60,!,@7,-30,Ph,-3:/F ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Fenamidone","MW:311.403", + ": <18,?5,4=dl,{3,5}:N,2://O,@3,\,NH,!,Ph,4:/S!,1^52:*/_,1^-48~zf:/Ph") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Fenpyroximate","MW:421.49", + ": <-6,?5,{3,5}=db,{1,2}:N,{2,5}:/Me,@3,\^-15,O,!,Ph, ", + ": @4,\,!~dr,N,!,O,!2,|,Ph,@4,\,//O,-60,O,!4 ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Chlorsulron","MW:380.648", + ": <30,Ph,6:/NH2,@1,\,SOO,!,NH2,@3,\,SOO,!,NH2,@4,\,/Cl,60~dl,/Cl,!,Cl") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Enrofloxacin","MW:359.401", + ": <30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O,@1,\,|,?6,1:N,4:N,4:/!") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Fenitrothion","MW:277.23", + ": <-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,3:/_,2:/NO2") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Fipronil","MW:437.2", + ": <30, Ph,{2,4}:/Cl,6:/CF3,@3,\,|,?5,{2,4}=dl,{1,2}:N,3:/CN,5:/NH2, ", + ": @-2,\,S,//O,!,CF3 ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Flumequine","MW:261.225", + ": <30,Ph,3=?6,(2,7)=?6[4],9=dl,7:N,6:/F,9:/COOH,10://O,13:/_") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Imazalil","MW:297.2", + ": <-30,!2,O,!2,!~dr,@1,60,|,?5,{2,4}=dl,{1,3}:N,@.$2,\,|,Ph,{4,6}:/Cl") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Imidacloprid","MW:255.662", + ": <30,Ph,1:N,6:/Cl,@3,\,!,|,?5,2=dl,1:N,3:N,2:/'(NH,!,NO2)") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Kresoxim-Methyl","MW:313.348", + ": <30,Ph,@3,\,/COO!,!~dr,N,!,O,!,@4,\,!,O,!,Ph,-1:/_") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Nalidixic acid","MW:232.239", + ": <30,Ph,3=?6,9=dl,5:N,6:/_,7://O,8:/COOH,10:N!2") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Oryzalin","MW:346.4", + ": <30,Ph,{1,3}:/NO2,@5,\,SOO,!,NH2,@2,\,/!2,N,!3") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Oxadiazon","MW:345.2", + ": <30,Ph,{4,6}:/Cl,1:/O!?!,@3,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Oxadixyl","MW:278.3", + ": <30,Ph,{2,4}:/_,@3,\,N,!1,//O,!2,O,!,@7,\,|,?5,1:N,2:O,5://O") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Oxyfluorfen","MW:361.701", + ": <30,Ph,6:/CF3,4:/Cl,@3,\,O,!,Ph,-3:/NO2,@-4,\,O,!2") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Sulfadimidine","MW:278.33", + ": <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,4}:N,{3,5}:/_") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Sulfamerazine","MW:264.303", + ": <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,6}:N,3:/_") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Sulfadoxine","MW:310.328", + ": <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{4,6}:N,{2,3}:/O!") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Sulfamethoxazole","MW:253.276", + ": <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,?5,{2,5}=dl,4:O,5:N,3:/_") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Thiamethoxam","MW:291.71", + ": <30,?6,4:N,2:O,6:N!,5://'(N,!,NO2),@4,\,!,|,?5,{1,3}=dl,3:N,5:S,4:/Cl") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Thiamphenicol","MW:355", + ": <30,Ph,@1,\,SOO,!,@4,\,/OH,!,/!OH,!`1.1,NH,!`1.1,//O,!,/Cl,!,Cl") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Pyridaphenthion","MW:340.334", + ": <30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,?6,{1,5}=dl,{2,3}:N,4://O,3:/Ph") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Permethrin","MW:391.288", + ": <-30,?3,2^-35:*/_,2^35:/*_,1:/'(!!,/Cl,!,Cl), ", + ": @3,\,//O,!,O,!2,|,Ph,@3,\,O,-60,Ph ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Isoprothiolane","MW:290.392", + ": <-30,!,?!,O,!,//O,!,//'(?5,2:S,5:S),!,//O,!,O,!,?!") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Oxine-Copper","MW:351.852", + ": Ph,4:N,5=Ph,@-4,\,O,-60,<90,Cu,-90,O,60,|,Ph,5=Ph,10:N,||, ", + ": @4,&12~vf,@23,&12~vf ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Tetraconazole","MW:372.145", + ": <-6,?5,{2,5}=dl, ", + ": {1,2,4}:N,@4,\,!3,O,!,/F^35,/F^-35,!,CF2,@7,\,|,Ph,{4,6}:/Cl ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Endosulfan","MW:406.904", + ": <26,?7,7=?6[13],@11,208~wf`1.45,&8~wb,10=dl,{3,5}:O,4:S,4://O, ", + ": {8,9,10,11,12^-210,12^-150}:/Cl ") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont; -%*********************************************************************** -beginfont("EN:Uniconazole-P","MW:291.779") - MC(<30,Ph,6:/Cl,@3,\,!~dl,!,/OH,!,??!,@8,\,|,?5,{2,4}=dl,{1,2,4}:N) -endfont -%*************************************************************************** -beginfont("EN:Oxadiargyl","MW:341.19") - MC(<30,Ph,{1,3}:/Cl,6:/'(O,!2,!!!),@4,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!) -endfont -%*************************************************************************** -beginfont("EN:Oxaziclomefone","MW:376.277") - MC(<30,?6,6=dl,4:N,2:O,1:/_,5://O,6:/Ph,@4,\,??,!,|,Ph,{3,5}:/Cl) -endfont -%*************************************************************************** -beginfont("EN:Trimetoprim","MW:290.323") - MC(<30,Ph,{1,5}:N,{2,6}:/NH2,@3,\,!,|,Ph,{3,4,5}:/O!) -endfont -%*************************************************************************** -beginfont("EN:Ciprofloxacin","MW:331.347") - MC(<30,Ph,-4=?6,9=dl,7:N, - 6:/F,7:/?3,9:/COOH,10://O,@1,\,|,?6,1:N,4:NH) -endfont -%*************************************************************************** -beginfont("EN:Danofloxacin","MW:357.385") - MC(<30,Ph,-4=?6,9=dl,7:N, - 6:/F,7:/?3,9:/COOH,10://O, - @1,\,|,?6,@2,-200`1.1,&5,{1,4}:N,4:*/_) -endfont -%*************************************************************************** -beginfont("EN:Marbofloxacin","MW:362.361") - MC(<30,Ph,3=?6,9=dl,(2,7)=?6[4],6:/F,7:N,11:O,9:/COOH,10://O,13:N!, - @1,\,|,?6,1:N,4:N!) -endfont -%*************************************************************************** -beginfont("EN:Ofloxacin","MW:361.373") - MC(<30,Ph,3=?6,(2,7)=?6[4],9=dl,7:N,11:O,6:/F,9:/COOH,10://O,13:/_, - @1,\,|,?6,{1,4}:N,4:/_) -endfont -%*************************************************************************** -beginfont("EN:Ormetoprim","MW:274.324") - MC(<30,Ph,{1,5}:N,{2,6}:/NH2,@3,\,!,|,Ph,2:/_,{4,5}:/O!) -endfont -%*************************************************************************** -beginfont("EN:Amoxicillin","MW:365.4042") - MC(<45,?4,-3=?5,2:N,7:S, - 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, - @4,*\^15,NH,!,//O,!,*/NH2,!,Ph,-3:/OH) -endfont -%*************************************************************************** -beginfont("EN:Ampicillin","MW:349.405") - MC(<45,?4,-3=?5,2:N,7:S, - 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, - @4,*\^15,NH,!,//O,!,/*NH2,!,Ph) -endfont -%*************************************************************************** -beginfont("EN:Benzyl-Penicillin","MW:334.4") - MC(<45,?4,-3=?5,2:N,7:S, - 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, - @4,*\^15,NH,!,//O,!,!,Ph) -endfont -%*************************************************************************** -beginfont("EN:Mecillinam","MW:325.4264") - MC(<45,?4,-3=?5,2:N,7:S, - 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, - @4,*\^15,N,!!,!,?7,-7:N) -endfont -%*************************************************************************** -beginfont("EN:Nafcillin","MW:414.4748") - MC(<45,?4,-3=?5,2:N,7:S, - 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, - @4,*\^15,NH,!,//O,!,Ph,-2=Ph,-9:/O!2) -endfont -%*************************************************************************** -beginfont("EN:Oxacillin","MW:401.4363") - MC(<45,?4,-3=?5,2:N,7:S, - 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, - @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_, - @-1,\^-24,Ph) -endfont -%*************************************************************************** -beginfont("EN:Cloxacillin","MW:435.8813") - MC(<45,?4,-3=?5,2:N,7:S, - 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, - @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_, - @-1,\^-24,Ph,-5:/Cl) -endfont -%*************************************************************************** -beginfont("EN:Dicloxacillin","MW:470.3264") - MC(<45,?4,-3=?5,2:N,7:S, - 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, - @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_, - @-1,\^-24,Ph,{-1,-5}:/Cl) -endfont -%*************************************************************************** -beginfont("EN:Cefalexin","MW:347.3889") - MC(<45,?4,-3=?6,-4=dl,2:N,8:S, - 3^45:/*H,1://O^15,5:/*COOH,6:/_, - @4,*\^15,NH,!,//O,!,*/NH2,!,Ph) -endfont -%*************************************************************************** -beginfont("EN:Cefalonium","MW:458.5107") - MC(<45,?4,-3=?6,-4=dl,2:N,8:S, - 3^45:/*H,1://O^15,@5,\*,//O,!,O,n_^40, - @4,*\^15,NH,!,//O,!2,?5,{-1,-3}=dl,-4:S, - @6,\,!,|,Ph,1:N,1:p_^180,@4,\,//O,!,NH2) -endfont -%*************************************************************************** -beginfont("EN:Cefazorin","MW:454.51") - MC(<45,?4,-3=?6,-4=dl,2:N,8:S, - 3^45:/*H,1://O^15,5:/*COOH, - @4,*\^15,NH,!,//O,!2,?5,{-2,-4}=dl,{-1,-2,-3,-5}:N, - @6,\,!,S,!,?5,{-3,-5}=dl,-1:S,-2:/_,{-3,-4}:N) -endfont -%*************************************************************************** -beginfont("EN:Cefquinome","MW:528.6") - MC(<45,?4,-3=?6,-4=dl,2:N,8:S, - 3^45:/*H,1://O^15,@5,\*,//O,!,O,n_^40, - @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2, - @6,\,!,Ph,-2=?6,-10:N,-10:p_^180) -endfont -%*************************************************************************** -beginfont("EN:Ceftiofur","MW:523.5626") - MC(<45,?4,-3=?6,-4=dl,2:N,8:S, - 3^45:/*H,1://O^15,5:/*COOH, - @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2, - @6,\,!,S,!,//O,!,?5,{-1,-3}=dl,-4:O) -endfont -%*************************************************************************** +%****************************************************************************** +beginfont("EN:Uniconazole-P","MW:291.779", + ": <30,Ph,6:/Cl,@3,\,!~dl,!,/OH,!,??!,@8,\,|,?5,{2,4}=dl,{1,2,4}:N") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Oxadiargyl","MW:341.19", + ": <30,Ph,{1,3}:/Cl,6:/'(O,!2,!!!),@4,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Oxaziclomefone","MW:376.277", + ": <30,?6,6=dl,4:N,2:O,1:/_,5://O,6:/Ph,@4,\,??,!,|,Ph,{3,5}:/Cl") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Trimetoprim","MW:290.323", + ": <30,Ph,{1,5}:N,{2,6}:/NH2,@3,\,!,|,Ph,{3,4,5}:/O!") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Ciprofloxacin","MW:331.347", + ": <30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O,@1,\,|,?6,1:N,4:NH") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Danofloxacin","MW:357.385", + ": <30,Ph,-4=?6,9=dl,7:N, ", + ": 6:/F,7:/?3,9:/COOH,10://O, ", + ": @1,\,|,?6,@2,-200`1.1,&5,{1,4}:N,4:*/_ ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Marbofloxacin","MW:362.361", + ": <30,Ph,3=?6,9=dl,(2,7)=?6[4],6:/F,7:N,11:O,9:/COOH,10://O,13:N!, ", + ": @1,\,|,?6,1:N,4:N! ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Ofloxacin","MW:361.373", + ": <30,Ph,3=?6,(2,7)=?6[4],9=dl,7:N,11:O,6:/F,9:/COOH,10://O,13:/_, ", + ": @1,\,|,?6,{1,4}:N,4:/_ ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Ormetoprim","MW:274.324", + ": <30,Ph,{1,5}:N,{2,6}:/NH2,@3,\,!,|,Ph,2:/_,{4,5}:/O!") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Amoxicillin","MW:365.4042", + ": <45,?4,-3=?5,2:N,7:S, ", + ": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ", + ": @4,*\^15,NH,!,//O,!,*/NH2,!,Ph,-3:/OH ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Ampicillin","MW:349.405", + ": <45,?4,-3=?5,2:N,7:S, ", + ": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ", + ": @4,*\^15,NH,!,//O,!,/*NH2,!,Ph ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Benzyl-Penicillin","MW:334.4", + ": <45,?4,-3=?5,2:N,7:S, ", + ": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ", + ": @4,*\^15,NH,!,//O,!,!,Ph ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Mecillinam","MW:325.4264", + ": <45,?4,-3=?5,2:N,7:S, ", + ": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ", + ": @4,*\^15,N,!!,!,?7,-7:N ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Nafcillin","MW:414.4748", + ": <45,?4,-3=?5,2:N,7:S, ", + ": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ", + ": @4,*\^15,NH,!,//O,!,Ph,-2=Ph,-9:/O!2 ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Oxacillin","MW:401.4363", + ": <45,?4,-3=?5,2:N,7:S, ", + ": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ", + ": @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_, ", + ": @-1,\^-24,Ph ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Cloxacillin","MW:435.8813", + ": <45,?4,-3=?5,2:N,7:S, ", + ": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ", + ": @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_, ", + ": @-1,\^-24,Ph,-5:/Cl ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Dicloxacillin","MW:470.3264", + ": <45,?4,-3=?5,2:N,7:S, ", + ": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ", + ": @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_, ", + ": @-1,\^-24,Ph,{-1,-5}:/Cl ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Cefalexin","MW:347.3889", + ": <45,?4,-3=?6,-4=dl,2:N,8:S, ", + ": 3^45:/*H,1://O^15,5:/*COOH,6:/_, ", + ": @4,*\^15,NH,!,//O,!,*/NH2,!,Ph ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Cefalonium","MW:458.5107", + ": <45,?4,-3=?6,-4=dl,2:N,8:S, ", + ": 3^45:/*H,1://O^15,@5,\*,//O,!,O,n_^40, ", + ": @4,*\^15,NH,!,//O,!2,?5,{-1,-3}=dl,-4:S, ", + ": @6,\,!,|,Ph,1:N,1:p_^180,@4,\,//O,!,NH2 ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Cefazorin","MW:454.51", + ": <45,?4,-3=?6,-4=dl,2:N,8:S, ", + ": 3^45:/*H,1://O^15,5:/*COOH, ", + ": @4,*\^15,NH,!,//O,!2,?5,{-2,-4}=dl,{-1,-2,-3,-5}:N, ", + ": @6,\,!,S,!,?5,{-3,-5}=dl,-1:S,-2:/_,{-3,-4}:N ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Cefquinome","MW:528.6", + ": <45,?4,-3=?6,-4=dl,2:N,8:S, ", + ": 3^45:/*H,1://O^15,@5,\*,//O,!,O,n_^40, ", + ": @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2, ", + ": @6,\,!,Ph,-2=?6,-10:N,-10:p_^180 ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Ceftiofur","MW:523.5626", + ": <45,?4,-3=?6,-4=dl,2:N,8:S, ", + ": 3^45:/*H,1://O^15,5:/*COOH, ", + ": @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2, ", + ": @6,\,!,S,!,//O,!,?5,{-1,-3}=dl,-4:O ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** beginfont("EN:Cefuroxime","MW:424.3852") MC(<45,?4,-3=?6,-4=dl,2:N,8:S, 3^45:/*H,1://O^15,5:/*COOH, @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-1,-3}=dl,-4:O, @6,\,!,O,!,//O,!,NH2) endfont -%*************************************************************************** +%****************************************************************************** beginfont("EN:Apramycin","MW:539.58") MC(<30,?6,-4=?6,{2,10}:O, @1,\*,O,60~zb,?6, @@ -519,21 +619,21 @@ beginfont("EN:Apramycin","MW:539.58") {7,13,-2}:*/OH,{14,-1}:/*OH,{15,17}:*/NH2,{6,-3}:/*NH2,8:*/NH!>vt, -4:*/!OH,3:/*H^-60`.75,4:*/H^60`.75) endfont -%*************************************************************************** +%****************************************************************************** beginfont("EN:Gentamycin","MW:477.596") MC(<-30,?6, @1,\*,O,0~zb,?6,-5:O,@5,\*,O,0~zb,?6,-5:O, {2,4}:*/NH2,20:/*NH2,6:*/OH, 11:*/OH^-35,11:/*_^35,12:*/NH!,13:/*OH,17:/'(*/_,!NH!)) endfont -%*************************************************************************** +%****************************************************************************** beginfont("EN:Kanamycin","MW:484.499") MC(<-30,?6, @1,\*,O,0~zb,?6,-5:O, @5,\,O,0,?6,-5:O, {2,4,12}:*/NH2,{6,19}:*/OH,{11,13,18,20}:/*OH,10:*/!OH,17:*/!NH2) endfont -%*************************************************************************** +%****************************************************************************** beginfont("EN:DihydroStreptmycin","MW:583.574") MC(<54,?5,3:O,4:/*_,5:/!OH^-48,5:/*OH^35, @1,\*,O,-24~wb,?6,-5:O, @@ -542,14 +642,14 @@ beginfont("EN:DihydroStreptmycin","MW:583.574") @17,*\^-18,NH,!,//NH,!,NH2, @19,*\,NH,!,//NH,!,NH2) endfont -%*************************************************************************** +%****************************************************************************** beginfont("EN:Fradiomycin","MW:614.644") MC(<30,?6,3:O,2:/*!NH2,1:*/OH,6:/*OH,5:*/NH2, @4,*\,O,!~wb,?6,{-3,-5^15}:/*NH2,-2:*/OH^-15, @-1,\*,O,-72~wb,?5,-4:O,-1:/*OH>vt,-3:*/!OH>vt, @-2,\*^-24,O,-60~zb,?6,-5:O,-1:/*NH2,-2:*/OH,-3:/*OH,-4:/*!NH2>60) endfont -%*************************************************************************** +%****************************************************************************** beginfont("EN:Streptmycin","MW:581.574") MC(<54,?5,3:O,4:/*_,5:/OH^35, @1,\*,O,-24~wb,?6,-5:O, @@ -558,7 +658,7 @@ beginfont("EN:Streptmycin","MW:581.574") @17,*\^-18,NH,!,//NH,!,NH2, @19,*\,NH,!,//NH,!,NH2) endfont -%*************************************************************************** +%****************************************************************************** beginfont("EN:Neospiramycin","MW:698.9") MC(<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##, {12,14}=dl,2:O,1:/*_,5:/*OH,3://O,10:/*_,6:/*O!>vt, @@ -566,7 +666,7 @@ beginfont("EN:Neospiramycin","MW:698.9") @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_,-3:/*OH, @8,\*,!,!!,O) endfont -%*************************************************************************** +%****************************************************************************** beginfont("EN:Emamectine","MW:886.133") MC(<24,?6,6=?5,3=dl,9:O,2:*/OH,3:/_,6:/*OH^-60, @5,#1.04,6,//O,-60,O,60~wb,60,-60,60~wf,60,-60,60,60,60,-60,60,##,&7, @@ -575,247 +675,290 @@ beginfont("EN:Emamectine","MW:886.133") 17:/_,19:/*_,@18,\,O,!,?6`.8,-1:O,-2:*/_,-4:*/O!, @-3,\,O,60,?6`.8,-5:O,-4:*/_,-3:/*NH!,-2:*/O!) endfont -%*************************************************************************** -beginfont("EN:Spinosad","MW:731.968") - MC(<30,#1,<-120,60,60,-60,60,60,60,-60,60,60,60,-60,&1,##, - 5=?5,-1=dl,{-2^60,-3^-35}:/*H,-3=?6,-4=dl,{-1^35}:*/H,{-2^-60}:/*H,-2=?5, - 2:O,{3^25,7^-25}://O,1:/!, - @-2,\~zf,O,66,?6`.8,-1:O,-2:/_,{-3,-4,-5}:/O!, - 8~wf:/Me,5^-65~wf:/H, - @9,\~zf,O,!,|,?6`.8,2:O,3:/_,-3:/N?!) -endfont -%*************************************************************************** -beginfont("EN:Spiramycin","MW:843.1") - MC(<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##, - {12,14}=dl,2:O,{1,10^-30}:/*_,5:/*OH,3://O,6:/*O!>vt, - @-6,\*^-30,O,!~wb,?6`.7,-5:O,-3:/*N?!,-4:*/_, - @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_, - @-3,\*`1,O,60~wb`1.5,?6`.7,-5:O,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_, - @8,\*,!,!!,O) -endfont -%*************************************************************************** -beginfont("EN:Natamycin","MW:665.733") - MC(<-90,#1,60,60,-60,60,-60,60,-60,60,-60,60,60,60,O,-60, - 60,60,-60,60,-60,60,-60,60,60,-60,&1,(12,13)=?6[4],##, - {2,4,6,8,20}=dl,11=zb,23:O,-2:/*OH,-3:*/COOH, - 18=?3,-1=wb,-2=wf,-1:O,22://O,24:*/_,{14^60,16}:*/OH, - @10,*\,O,90,?6`.8,-3:*/OH,-5:/*OH,-4:/*NH2,-1:O,-2:/*_) -endfont -%*************************************************************************** -beginfont("EN:Tylocin","MW:916.10") - MC(<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##, - {12,14}=dl,2:O,1:/*!,5:/*OH,3://O,10:/*_,6:/*_,-6://O,-3:/_, - @-1,*\,-60,O,0~wb,?6`.7,-5:O,-3:/*OH,-4:*/_,{-1,-2}:/*O!, - @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_, - @-3,\*`1,O,60~wb`1.5,?6`.7,-5:O,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_, - @8,\*,!,!!,O) -endfont -%*************************************************************************** -beginfont("EN:Tilmicosin","MW:869.133") - MC(<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##, - {12,14}=dl,2:O,1:/*!,5:/*OH,{3,11}://O,{6,10}:/*_,14:/_, - @-1,*\,-60,O,0~zb,?6`.7,-5:O,{-1,-2}:*/O!,-3:*/OH,-4:/*_, - @7,\*,O,0,?6`.7,-5:O,-2:*/N?!,{-1,-3}:/*OH,-4:*/_, - @8,\*,!2,?6`.7,-6:N,{-2,-4}:*/_) -endfont -%*************************************************************************** -beginfont("EN:Chlortetracyclin","MW:478.88") - MC(<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,2:/Cl, - {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2 - ) -endfont -%*************************************************************************** -beginfont("EN:Oxytetracyclin","MW:460.434") - MC(<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,11:*/OH, - {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2) -endfont -%*************************************************************************** -beginfont("EN:Tetracyclin","MW:444.435") - MC(<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35, - {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2) -endfont -%*************************************************************************** -beginfont("EN:Doxycyclin","MW:444.43") - MC(<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_, - {5,13~wf^60,11~wf,14,16}:/OH,15:*/N?!,@17,\,//O,!,NH2) -endfont -%*************************************************************************** -beginfont("EN:Tiamulin","MW:493.74") - MC(<-45.5,?8,-3=?5,@8,#.8,-210~zf,/_^60,45,56,##,&6~zb, - {3^-45,5,8}:*/_,@3,\*^30,!~dl,4:/*OH,11://O,7:*/H^60, - @1,\^15,O,!,//O,!2,S,60,60,-60,N!2,60,-60) -endfont -%*************************************************************************** -beginfont("EN:Rifampicin","MW:822.94") - MC(<30,Ph,6:/_^30,5:/OH,|,-6=?5,1:O,3://O,2:/*_^60, - |,-8=?6,{2,4}=dl,{1,4}:/OH, - #1,@-2,\,NH,60,//O,-60,/_,60~dl,60,60~dl,-60, - */_,60,/*OH,-60,/*_,60,/*OH,60,*/_^30,-60, - 60,/*_^30,-53,66,-53~dl,66`1.2,O,##,&($8), - -4:/*O!,@-6,-30,O,!,//O,!,@.$11,\,!!,N,!,|,?6,1:N,4:N!) -endfont -%*************************************************************************** -beginfont("EN:Trenbolone","MW:270.37") - MC(<30,?6,{3,10}=?6,13=?5,{2,11,15}=dl, - 1://O,12:*/_^60,-1:/*OH,9:*/H^60,11:/*H^-60) -endfont -%*************************************************************************** -beginfont("EN:Luciferin","MW:280.33") - MC(<30,Ph,3=?5,@8,\,?5,{9,16}=dl,{9,14}:N,{7,11}:S,1:/OH,-2:*/COOH) -endfont -%*************************************************************************** -beginfont("EN:Chlorophyll a","MW:893.509") -MC(<-36,#1,?5,@3,\,54,?5,@-2,\,54,?5,@-2,\,54,?5,@-2,\,&5,@6,22,70,&8,##, - {4,6,8,10,14,16,18,21,23,27}=dl,@4,\`1.48~vf,Mg,&17~vb,@11,&27,@27,&23, - {4,11,17,23}:N,{1~zf,9,15,21}:/_,14:/!,20:/!!,25:/*COO!,26://O, - @2,*\^-6,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_) -endfont -%************************************************************************** -beginfont("EN:Quercetin","MW:302.24") - MC(<30,Ph,3=?6,@9,\,Ph,9=dl,10:O,7://O,{2,6,8,13,14}:/OH) -endfont -%*************************************************************************** -beginfont("EN:Limonin","MW:470.518") - MC(<30,?6,{-3,-4}=?6,-5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf, - {13,15,17,20}:O,{3,12,21}://O, - {4~wf^60,8~zf^60}:/_,18:??,{1^60,5^180,16^60}:/*H, - @14,\*,|,?5,{1,4}=dl,3:O) -endfont -%************************************************************************** -beginfont("EN:Cromolyn","MW:468.37") - MC(<30,Ph,|,-1=?6,3=dl,1:O,4://O,2:/COOH, - @.$2,\,O,!2,/OH,!2,O,60,Ph,|,-5=?6,3=dl,4:O,1://O,3:/COOH) -endfont -%************************************************************************** -beginfont("EN:Emetine","MW:480.649") - MC(<30,Ph,{-4,-4}=?6,8:N,{1,6}:/O!,-2:/*!,{7^-60,12^-60}:/*H, - @-3,\,!~zb,<-60,|,?6,5=dl,2:NH,-6^-60:*/H,|,-2=?6,{2,4}=dl,{-2,-3}:/O!) -endfont -%************************************************************************** -beginfont("EN:Acronycine","MW:321.376") - MC(<30,Ph,|,-4=?6,1:N!,4://O,-3=Ph2,-1:/O!,|,-4=?6,2=dl,4:O,3:??) -endfont -%************************************************************************** -beginfont("EN:Piperine","MW:285.343") - MC(<30,Ph,|,-1=?5,{1,3}:O,@.$4,\,!!,!,!!,!,//O,!,|,?6,1:N) -endfont -%*************************************************************************** -beginfont("EN:Febrifugine","MW:301.346") - MC(<30,Ph,|,-4=?6,2=dl,{1,3}:N,4://O,@.$9,\,!,//O,!,!~zf,|,?6,2:NH,-1:*/OH) -endfont -%*************************************************************************** -beginfont("EN:Mitomycine C","MW:334.332") - MC(<30,?6,{3,6}=dl,{2,5}://O,1:/_,-4=?5,-3:N, - 6:/NH2,,-3=?5,-2=?3,-1=wb,-2=wf,-1:NH, - 8:/*O!^35,@.$9,\,!,O,60,//O,!,NH2) -endfont -%*************************************************************************** -beginfont("EN:Podophyllotoxin","MW:414.41"); - MC(<0,?5,{2,5}:O,-3=Ph2,-3=?6,-3=?5,-2:O,-1=wb,-3://O, - @10,\*,Ph,{-2,-3,-4}:/O!,13:/*OH,{11~wf^-60,12~zf^60}:/H) +%****************************************************************************** +beginfont("EN:Spinosad","MW:731.968", + ": <30,#1,<-120,60,60,-60,60,60,60,-60,60,60,60,-60,&1,##, ", + ": 5=?5,-1=dl,{-2^60,-3^-35}:/*H,-3=?6,-4=dl, ", + ": {-1^35}:*/H,{-2^-60}:/*H,-2=?5, ", + ": 2:O,{3^25,7^-25}://O,1:/!, ", + ": @-2,\~zf,O,66,?6`.8,-1:O,-2:/_,{-3,-4,-5}:/O!, ", + ": 8~wf:/Me,5^-65~wf:/H, ", + ": @9,\~zf,O,!,|,?6`.8,2:O,3:/_,-3:/N?! ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Spiramycin","MW:843.1", + ": <-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##, ", + ": {12,14}=dl,2:O,{1,10^-30}:/*_,5:/*OH,3://O,6:/*O!>vt, ", + ": @-6,\*^-30,O,!~wb,?6`.7,-5:O,-3:/*N?!,-4:*/_, ", + ": @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_, ", + ": @-3,\*`1,O,60~wb`1.5,?6`.7,-5:O,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_, ", + ": @8,\*,!,!!,O ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Natamycin","MW:665.733", + ": <-90,#1,60,60,-60,60,-60,60,-60,60,-60,60,60,60,O,-60, ", + ": 60,60,-60,60,-60,60,-60,60,60,-60,&1,(12,13)=?6[4],##, ", + ": {2,4,6,8,20}=dl,11=zb,23:O,-2:/*OH,-3:*/COOH, ", + ": 18=?3,-1=wb,-2=wf,-1:O,22://O,24:*/_,{14^60,16}:*/OH, ", + ": @10,*\,O,90,?6`.8,-3:*/OH,-5:/*OH,-4:/*NH2,-1:O,-2:/*_ ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Tylocin","MW:916.10", + ": <-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##, ", + ": {12,14}=dl,2:O,1:/*!,5:/*OH,3://O,10:/*_,6:/*_,-6://O,-3:/_, ", + ": @-1,*\,-60,O,0~wb,?6`.7,-5:O,-3:/*OH,-4:*/_,{-1,-2}:/*O!, ", + ": @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_, ", + ": @-3,\*`1,O,60~wb`1.5,?6`.7,-5:O,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_, ", + ": @8,\*,!,!!,O ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Tilmicosin","MW:869.133", + ": <-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##, ", + ": {12,14}=dl,2:O,1:/*!,5:/*OH,{3,11}://O,{6,10}:/*_,14:/_, ", + ": @-1,*\,-60,O,0~zb,?6`.7,-5:O,{-1,-2}:*/O!,-3:*/OH,-4:/*_, ", + ": @7,\*,O,0,?6`.7,-5:O,-2:*/N?!,{-1,-3}:/*OH,-4:*/_, ", + ": @8,\*,!2,?6`.7,-6:N,{-2,-4}:*/_ ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Chlortetracyclin","MW:478.88", + ": <30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,2:/Cl, ", + ": {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2 ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Oxytetracyclin","MW:460.434", + ": <30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,11:*/OH, ", + ": {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2 ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Tetracyclin","MW:444.435", + ": <30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35, ", + ": {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2 ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Doxycyclin","MW:444.43", + ": <30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_, ", + ": {5,13~wf^60,11~wf,14,16}:/OH,15:*/N?!,@17,\,//O,!,NH2 ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Tiamulin","MW:493.74", + ": <-45.5,?8,-3=?5,@8,#.8,-210~zf,/_^60,45,56,##,&6~zb, ", + ": {3^-45,5,8}:*/_,@3,\*^30,!~dl,4:/*OH,11://O,7:*/H^60, ", + ": @1,\^15,O,!,//O,!2,S,60,60,-60,N!2,60,-60 ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Rifampicin","MW:822.94", + ": <30,Ph,6:/_^30,5:/OH,|,-6=?5,1:O,3://O,2:/*_^60, ", + ": |,-8=?6,{2,4}=dl,{1,4}:/OH, ", + ": #1,@-2,\,NH,60,//O,-60,/_,60~dl,60,60~dl,-60, ", + ": */_,60,/*OH,-60,/*_,60,/*OH,60,*/_^30,-60, ", + ": 60,/*_^30,-53,66,-53~dl,66`1.2,O,##,&($8), ", + ": -4:/*O!,@-6,-30,O,!,//O,!,@.$11,\,!!,N,!,|,?6,1:N,4:N! ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Trenbolone","MW:270.37", + ": <30,?6,{3,10}=?6,13=?5,{2,11,15}=dl, ", + ": 1://O,12:*/_^60,-1:/*OH,9:*/H^60,11:/*H^-60 ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Luciferin","MW:280.33", + ": <30,Ph,3=?5,@8,\,?5,{9,16}=dl,{9,14}:N,{7,11}:S,1:/OH,-2:*/COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Chlorophyll a","MW:893.509", + ": <-36,#1,?5,@3,\,54,?5,@-2,\,54,?5,@-2,\,54,?5,@-2,\,&5,@6,22,70,&8,##, ", + ": {4,6,8,10,14,16,18,21,23,27}=dl,@4,\`1.48~vf,Mg,&17~vb,@11,&27,@27,&23, ", + ": {4,11,17,23}:N,{1~zf,9,15,21}:/_,14:/!,20:/!!,25:/*COO!,26://O, ", + ": @2,*\^-6,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_ ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Quercetin","MW:302.24", + ": <30,Ph,3=?6,@9,\,Ph,9=dl,10:O,7://O,{2,6,8,13,14}:/OH") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Limonin","MW:470.518", + ": <30,?6,{-3,-4}=?6,-5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf, ", + ": {13,15,17,20}:O,{3,12,21}://O, ", + ": {4~wf^60,8~zf^60}:/_,18:??,{1^60,5^180,16^60}:/*H, ", + ": @14,\*,|,?5,{1,4}=dl,3:O ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Cromolyn","MW:468.37", + ": <30,Ph,|,-1=?6,3=dl,1:O,4://O,2:/COOH, ", + ": @.$2,\,O,!2,/OH,!2,O,60,Ph,|,-5=?6,3=dl,4:O,1://O,3:/COOH ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Emetine","MW:480.649", + ": <30,Ph,{-4,-4}=?6,8:N,{1,6}:/O!,-2:/*!,{7^-60,12^-60}:/*H, ", + ": @-3,\,!~zb,<-60,|,?6,5=dl,2:NH,-6^-60:*/H,|,-2=?6,{2,4}=dl,{-2,-3}:/O! ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Acronycine","MW:321.376", + ": <30,Ph,|,-4=?6,1:N!,4://O,-3=Ph2,-1:/O!,|,-4=?6,2=dl,4:O,3:??") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Piperine","MW:285.343", + ": <30,Ph,|,-1=?5,{1,3}:O,@.$4,\,!!,!,!!,!,//O,!,|,?6,1:N") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Febrifugine","MW:301.346", + ": <30,Ph,|,-4=?6,2=dl,{1,3}:N,4://O,@.$9,\,!,//O,!,!~zf,|,?6,2:NH,-1:*/OH") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Mitomycine C","MW:334.332", + ": <30,?6,{3,6}=dl,{2,5}://O,1:/_,-4=?5,-3:N, ", + ": 6:/NH2,,-3=?5,-2=?3,-1=wb,-2=wf,-1:NH, ", + ": 8:/*O!^35,@.$9,\,!,O,60,//O,!,NH2 ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Podophyllotoxin","MW:414.41", + ": <0,?5,{2,5}:O,-3=Ph2,-3=?6,-3=?5,-2:O,-1=wb,-3://O, ", + ": @10,\*,Ph,{-2,-3,-4}:/O!,13:/*OH,{11~wf^-60,12~zf^60}:/H ") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont; -%*************************************************************************** -beginfont("EN:Warfarin","MW:308.333"); - MC(<30,Ph,3=?6,8=dl,10:O,7:/OH,9://O,@8,\,/Ph`1,60,!,//O,!) +%****************************************************************************** +beginfont("EN:Warfarin","MW:308.333", + ": <30,Ph,3=?6,8=dl,10:O,7:/OH,9://O,@8,\,/Ph`1,60,!,//O,!") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont; -%*************************************************************************** -beginfont("EN:Genistein","MW:270.24"); - MC(<30,Ph,3=?6,9=dl,10:O,{2,6}:/OH,7://O,@8,\,Ph,-3:/OH) +%****************************************************************************** +beginfont("EN:Genistein","MW:270.24", + ": <30,Ph,3=?6,9=dl,10:O,{2,6}:/OH,7://O,@8,\,Ph,-3:/OH") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont; -%*************************************************************************** -beginfont("EN:Baicalein","MW:270.24"); - MC(<30,Ph,3=?6,9=dl,10:O,{1,2,6}:/OH,7://O,@8,\,Ph) +%****************************************************************************** +beginfont("EN:Baicalein","MW:270.24", + ": <30,Ph,3=?6,9=dl,10:O,{1,2,6}:/OH,7://O,@8,\,Ph") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont; -%*************************************************************************** -beginfont("EN:Reserpine","MW:608.688"); - MC(<54,Ph,-4=?5,-2=?6,-4=?6,-3=?6,9=dl,11:N,7:NH,10:*/H^-60, - {15^-60,16^60}:/*H, - @20,*\,O,!,//O,!,Ph,{-2,-3,-4}:/O!,{1,19~zf>rl}:/O!,18:*/COO!>lr) +%****************************************************************************** +beginfont("EN:Reserpine","MW:608.688", + ": <54,Ph,-4=?5,-2=?6,-4=?6,-3=?6,9=dl,11:N,7:NH,10:*/H^-60, ", + ": {15^-60,16^60}:/*H, ", + ": @20,*\,O,!,//O,!,Ph,{-2,-3,-4}:/O!,{1,19~zf>rl}:/O!,18:*/COO!>lr ") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont; -%*************************************************************************** -beginfont("EN:Rotenone","MW:394.423"); - MC(<-60,?5,{-3,-2,-3,-4}=?6,{7,9,-2,-4}=dl,{3,17}=dr, - {2,13,16}:O,10://O,{11^-60,12^60}:*/H,{-2,-3}:/O!,@1,*\,/_,!!) +%****************************************************************************** +beginfont("EN:Rotenone","MW:394.423", + ": <-60,?5,{-3,-2,-3,-4}=?6,{7,9,-2,-4}=dl,{3,17}=dr, ", + ": {2,13,16}:O,10://O,{11^-60,12^60}:*/H,{-2,-3}:/O!,@1,*\,/_,!! ") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont; -%*************************************************************************** -beginfont("EN:Pyrethrin I","MW:328.452"); - MC(<30,?3,{3^35~wf,3^-35~zf}:/_,@1,*\,!!,?!, - @2,\*,//O,!,O,-36~zb,|,?5,-2=dl,-1:/_,-3://O,@-2,\,!4,{-1,-3}=dl) +%****************************************************************************** +beginfont("EN:Pyrethrin I","MW:328.452", + ": <30,?3,{3^35~wf,3^-35~zf}:/_,@1,*\,!!,?!, ", + ": @2,\*,//O,!,O,-36~zb,|,?5,-2=dl,-1:/_,-3://O,@-2,\,!4,{-1,-3}=dl ") + if check_mc(mc)=0: MC(scantokens(mc)) fi endfont; -%*********************************************************************** -beginfont("EN:Oseltamivir","MW:312.40") - MC(<30,?6,3=dl,6:*/NH2,@1,\*,NH,!,//O,!,@2,*\,O,!,/!,!2,@4,\,//O,!,O,!2) -endfont -%************************************************************************** -beginfont("EN:Paclitaxel","MW:853.918") - MC(?6,5=dl,@3,#1,36,45,45,45,45,##,&5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O, - 4:??,6:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O, - @1,\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph, - @7,\*,O,-45,//O,60,Ph,11:*/OCO!>rl,12:/*OCO!^-15>lr) -endfont -%************************************************************************** -beginfont("EN:Mevastatin","MW:390.52") - MC(<30,?6,2=dl,4:*/H^60,-4=?6,-4=dl,9:*/_, - @10,*\,!,60~wb,?6,6:O,-2://O,-4:/*OH,@5,\*,O,60,//O,!,*/_,!2) -endfont -%*************************************************************************** -beginfont("EN:Sesamine","MW:354.35") - MC(<54,?5,1=?5,{4,7}:O,{1^-54,2^54}:*/H,{5,8}:*/'(Ph,4=?5,7:O,9:O)^-12) -endfont -%************************************************************************** -beginfont("EN:Morphine","MW:285.343") - MC(<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) -endfont -%*************************************************************************** -beginfont("EN:Quinine","MW:324.424") - MC(<30,Ph,3=Ph,7:N,6:/O!, - @10,\,*/OH,/H~zf^-60,!,|,?6,2:N,1:*/H^60,@4,*\,!!,@2,165~zf,60,&5~zb) -endfont -%*************************************************************************** -beginfont("EN:Atoropin","MW:289.375") - MC(<30,O,!,//O,!,!,Ph, - @.$1,\~zb^-60,|,?7`1.1,@6,*\^190`1.25,N!,&3~wb,$3:/!OH~wv) -endfont -%*************************************************************************** -beginfont("EN:Colchicine","MW:399.443") - MC(<30,Ph,{1,2,6}:/O!,-4=?7,-5=?7,{-1,-4,-6}=dl,-2://O,-3:/O!,9:/NHCO!) -endfont -%*************************************************************************** -beginfont("EN:Lycorine","MW:287.315") - MC(<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) -endfont -%*************************************************************************** -beginfont("EN:Ibotenic acid","MW:158.113") - MC(<18,?5,4=dl,3:O,2:NH,1://O,@4,-24,/NH2,!,COOH) -endfont -%*************************************************************************** -beginfont("EN:illudin S","MW:264.3") - MC(<30,?6,3=?5,6:**?3,{4,7}=dl,2://O,5:/_, - {1^35,8^35}:*/_,1:/*OH^-35,9:*/OH,8:/*!OH^-35) -endfont -%*************************************************************************** -beginfont("EN:Muscarine","MW:174.26") - MC(<18,?5,2:O,1:*/_,5:/*OH,@3,*\,48,N,??,p_^180,!) -endfont -%*************************************************************************** -beginfont("EN:Psilocybin","MW:284.248") - MC(<30,Ph,3=?5,8=dl,9:NH,@2,\,O,-60,P,//O^-45,/OH^45,90,OH, - @7,\,!,-60,N?!) -endfont -%*************************************************************************** -beginfont("EN:Tetrodotoxine","MW:319.27") - MC(#1,<60,-90,60,-30`1.15,150,60,&1,@3,-135,60,-30`1.15,150,&4, - @10,\,O,60`1.33,60,&($3)~si_,@8,-15~si_,O,&12,##, - @9,45,-60,OH,1^120://NH, - {5~zf^-15,7,9^-75,12,13~zf}:/OH,{2,6^180}:NH) -endfont -%*************************************************************************** -beginfont("EN:Aflatoxin B1","MW:312.27") - MC(<30,Ph,6=?6,-2=?5,4=?5,-2=?5,{-2,10}=dl,{7,14,17}:O, - 2:/O!,{8,11}://O,{15^-54,16^54}:*/H) -endfont -%*************************************************************************** +%****************************************************************************** +beginfont("EN:Oseltamivir","MW:312.40", + ": <30,?6,3=dl,6:*/NH2,@1,\*,NH,!,//O,!,@2,*\,O,!,/!,!2,@4,\,//O,!,O,!2") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Paclitaxel","MW:853.918", + ": ?6,5=dl,@3,#1,36,45,45,45,45,##,&5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O, ", + ": 4:??,6:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O, ", + ": @1,\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph, ", + ": @7,\*,O,-45,//O,60,Ph,11:*/OCO!>rl,12:/*OCO!^-15>lr ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Mevastatin","MW:390.52", + ": <30,?6,2=dl,4:*/H^60,-4=?6,-4=dl,9:*/_, ", + ": @10,*\,!,60~wb,?6,6:O,-2://O,-4:/*OH,@5,\*,O,60,//O,!,*/_,!2 ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Sesamine","MW:354.35", + ": <54,?5,1=?5,{4,7}:O,{1^-54,2^54}:*/H,{5,8}:*/'(Ph,4=?5,7:O,9:O)^-12") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Morphine","MW:285.343", + ": <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 ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Quinine","MW:324.424", + ": <30,Ph,3=Ph,7:N,6:/O!, ", + ": @10,\,*/OH,/H~zf^-60,!,|,?6,2:N,1:*/H^60,@4,*\,!!,@2,165~zf,60,&5~zb ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Atoropin","MW:289.375", + ": <30,O,!,//O,!,!,Ph, ", + ": @.$1,\~zb^-60,|,?7`1.1,@6,*\^190`1.25,N!,&3~wb,$3:/!OH~wv ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Colchicine","MW:399.443", + ": <30,Ph,{1,2,6}:/O!,-4=?7,-5=?7,{-1,-4,-6}=dl,-2://O,-3:/O!,9:/NHCO!") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Lycorine","MW:287.315", + ": <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 ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Ibotenic acid","MW:158.113", + ": <18,?5,4=dl,3:O,2:NH,1://O,@4,-24,/NH2,!,COOH") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:illudin S","MW:264.3", + ": <30,?6,3=?5,6:**?3,{4,7}=dl,2://O,5:/_, ", + ": {1^35,8^35}:*/_,1:/*OH^-35,9:*/OH,8:/*!OH^-35 ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Muscarine","MW:174.26", + ": <18,?5,2:O,1:*/_,5:/*OH,@3,*\,48,N,??,p_^180,!") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Psilocybin","MW:284.248", + ": <30,Ph,3=?5,8=dl,9:NH,@2,\,O,-60,P,//O^-45,/OH^45,90,OH,@7,\,!,-60,N?!") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Tetrodotoxine","MW:319.27", + ": #1,<60,-90,60,-30`1.15,150,60,&1,@3,-135,60,-30`1.15,150,&4, ", + ": @10,\,O,60`1.33,60,&($3)~si_,@8,-15~si_,O,&12,##, ", + ": @9,45,-60,OH,1^120://NH, ", + ": {5~zf^-15,7,9^-75,12,13~zf}:/OH,{2,6^180}:NH ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** +beginfont("EN:Aflatoxin B1","MW:312.27", + ": <30,Ph,6=?6,-2=?5,4=?5,-2=?5,{-2,10}=dl,{7,14,17}:O, ", + ": 2:/O!,{8,11}://O,{15^-54,16^54}:*/H ") + if check_mc(mc)=0: MC(scantokens(mc)) fi +endfont +%****************************************************************************** bye diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf Binary files differindex ba142e98185..c5d423a2a94 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex index 1bac0a43d54..8620e9576dd 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex @@ -1,11 +1,11 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2020.09.22 +% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2021.02.28 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage{graphicx} %--------------------- \usepackage{mcf_setup} -%%%%\pdfpkresolution=1200 +\pdfpkresolution=1200 %--------------------- \pagestyle{empty} \topmargin=-24mm 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 3a2da782e28..7a4e76408e5 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2021.02.21 +% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2021.02.28 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% input mcf2graph.mf; %% it must be version 4.578 message "mcf_man_soc 2021.02.21"; message ""; @@ -552,6 +552,21 @@ beginfont("EN:Inline definition") MC(<30,!8,{2,6}:/'(!,/_,!,OH)) endfont %*********************************************************************** +beginfont("EN:Move position") + fsize:=(60mm,12mm); + fmargin:=(2mm,1mm); + sw_trimming:=1; + MC(<30,?6,@3,\,!3,//O,!,O,n_^60,@(6,1),H,p_^15) + add(drawdot A1 withpen pencircle scaled 2bp; + pickup pencircle scaled 0.1bp; + for i=0 upto 6: + draw (A1+(l*i,l-2bp))--(l*i,l+2bp); + endfor + draw A1--(A1+(0,1l))--A1+(6l,1l); + draw (A1+(0,1l))--(A1+(-2bp,1l)); + ) +endfont +%*********************************************************************** beginfont("EN:mangle") fsize:=(50mm,15mm); blength:=6mm; @@ -986,19 +1001,21 @@ beginfont("EN:MCat()") endfont %*********************************************************************** beginfont("EN:Pyridine",":<30,Ph,2:N") + sw_trimming:=0; fsize:=(12mm,12mm); if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %----------------------------------------------------------------------- beginfont("EN:Pyridine",":<30,Ph,2):N") + sw_trimming:=0; fsize:=(12mm,12mm); if check_mc(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** beginfont("EN:add() 1") - fsize:=(70mm,43mm); + fsize:=(70mm,40mm); sw_aframe:=sw_mframe:=1; - max_blength:=12mm; + max_blength:=10mm; msize:=(.91,.9); MCat(.5,.85)(<30,?6,{2,5}:O) add( @@ -1014,13 +1031,15 @@ beginfont("EN:add() 1") dotlabel.ulft("A6",A6); drawarrow A1{A1down}..A6; dotlabel.urt( "B3e",B3e); - label.rt("An="&decimal(An)&" / "& - "Bn="&decimal(Bn),p0+(-w,-1.5em)); - label.rt("aw="&decimal(aw),p0+(w,-1.5em)); - label.rt("em="&decimal(em),p0+(0,-1.5em)); - label.rt("w="&decimal(w),p0+(-w,-3em)); - label.rt("h="&decimal(h),p0+(0,-3em)); - label.rt("l="&decimal(l),p0+(w,-3em)); + label.rt( "An="&decimal(An)& + " Bn="&decimal(Bn)& + " aw="&decimal(aw)& + " em="&decimal(em), + p0+(-9em,-1.5em)); + label.rt( "w="&decimal(w)& + " h="&decimal(h)& + " l="&decimal(l), + p0+(-9em,-3em)); ) endfont %*********************************************************************** @@ -1200,9 +1219,9 @@ ext(defaultfont:="uhvr8r"; defaultscale:=.75; label.urt("sw_fframe = "&decimal(sw_fframe),(0.01w,0.24h)); label.urt("sw_aframe = "&decimal(sw_aframe),(0.01w,0.21h)); label.urt("sw_trimming = "&decimal(sw_trimming),(0.01w,0.18h)); - label.urt("mc1 ="&mc1,(0.01w,0.12h)); - label.urt("mc2 ="&mc2,(0.01w,0.09h)); - label.urt("mc3 ="&mc3,(0.01w,0.06h)); + label.urt("mc1= "&mc1,(0.01w,0.12h)); + label.urt("mc2= "&mc2,(0.01w,0.09h)); + label.urt("mc3= "&mc3,(0.01w,0.06h)); ) %*************************************************************************** beginfont("EN:Ampicillin","MW:349.405", diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf Binary files differindex 5b295a87bb1..8740660b74a 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex index aea619862ad..037b855bf08 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 2021.02.21 +% Molecular Coding Format manual by Akira Yamaji 2021.02.28 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage[pdftex]{graphicx} @@ -655,12 +655,21 @@ exact mass, molecular formula. %----------------------------------------------------------------------------- \subsubsection{Parts inline definition} \begin{verbatim} - <30,!, /'(!,/_,!,OH), - !4,/'(!,/_,!,OH),!3 + <30,!, /'(!,/_,!,OH),! <30,!8,{2,6}:/'(!,/_,!,OH) \end{verbatim} \MCFgraph +%----------------------------------------------------------------------------- +\subsubsection{Move position} +\index{"@()}% +\begin{verbatim} + @(x,y) : Move to (l*x,l*y) from origin + ** l=bond length of ring + + <30,?6,@3,!4,//O,!,O,n_^60,@(6,1),H,p_^15 +\end{verbatim} +\MCFgraph %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \newpage \section{Option parameter} @@ -1019,27 +1028,6 @@ MCat(1, .5)(<30,Ph,4:/COOH,3:/NH2) \end{verbatim} \MCFgraph %----------------------------------------------------------------------------- -\subsubsection{Remove indent} -\index{sw\_indent\_off}% -\begin{verbatim} - ** default sw_indent_off=0 - beginfont(": Ph ", - ": ,{1,4}:N ", - ": ,{2,3}:/_ ") - endfont - - mc1=" Ph" - mc2=" ,{1,4}:N" - mc3=" ,{2,3}:/_" - - sw_indent_off=1 - mc1="Ph" - mc2=",{1,4}:N" - mc3=",{2,3}:/_" - - mc="Ph,{1,4}:N,{2,3}:/_" ** 0 or 1 -\end{verbatim} -%----------------------------------------------------------------------------- \newpage %----------------------------------------------------------------------------- \subsection{Parameter setting} @@ -1236,32 +1224,33 @@ MCat(1, .5)(<30,Ph,4:/COOH,3:/NH2) a /* b : point b of a beginfont("EN:add() 1") - fsize:=(75mm,45mm); + fsize:=(70mm,40mm); sw_aframe:=sw_mframe:=1; - max_blength:=12mm; - msize:=(.91,.85); - MCat(.5,.8)(<30,?6,{2,5}:O) - %------------------------------------- + max_blength:=10mm; + msize:=(.91,.9); + MCat(.5,.85)(<30,?6,{2,5}:O) add( defaultscale:=.8; labeloffset:=.3aw; dotlabel.lft("p0",p0); dotlabel.rt( "p0+(w,h)",p0+(w,h)); dotlabel.ulft("A1",A1); - drawarrow A1..A1+(l,0)<<A1ang; + drawarrow A1..A1+__*l<<A1ang; dotlabel.lrt( "B3s",B3s); dotlabel.rt("B3m",B3m); - drawarrow B3m..B3m+(l,0)<<(B3ang+90); + drawarrow B3m..B3m+__*l<<(B3ang+90); dotlabel.ulft("A6",A6); drawarrow A1{A1down}..A6; dotlabel.urt( "B3e",B3e); - label.rt("An="&decimal(An)&" / "& - "Bn="&decimal(Bn),p0+(-w,-1.5em)); - label.rt("aw="&decimal(aw),p0+(w,-1.5em)); - label.rt("em="&decimal(em),p0+(0,-1.5em)); - label.rt("w="&decimal(w),p0+(-w,-3em)); - label.rt("h="&decimal(h),p0+(0,-3em)); - label.rt("l="&decimal(l),p0+(w,-3em)); + label.rt( "An="&decimal(An)& + " Bn="&decimal(Bn)& + " aw="&decimal(aw)& + " em="&decimal(em), + p0+(-9em,-1.5em)); + label.rt( "w="&decimal(w)& + " h="&decimal(h)& + " l="&decimal(l), + p0+(-9em,-3em)); ) endfont \end{verbatim} @@ -1552,7 +1541,7 @@ beginfont("EN:Cholesterol","MW:386.65", >information ": {4,12}:*/_^60, ", > mc3 ": @-1,18,/*_,-60,!3,?! ") > mc4 %---------------------------------------- > - if check_mc(mc)=0: MC(scantokens(mc)) fi > mc=mc1&mc2&mc3 + if check_mc(mc)=0: MC(scantokens(mc)) fi > mc=mc1 - mc4 endfont > end font %------------------------------------------------------------------------ beginfont("EN:Limonin", > information @@ -1674,28 +1663,32 @@ h : font height \end{verbatim} \paragraph{(Output)} \begin{verbatim} ------------------------------------------------------------------- - Molecular name = Nicotine - Warnings = 0 / Command count= 44 - Width * Height = 49.57332 * 41.37605 - Shift width * height = 0 * -9.07253 +=========================================================================== + No. 1 / Name = Adenine +--------------------------------------------------------------------------- + <30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH +--------------------------------------------------------------------------- + mc length= 46 / mc low= 1 +--------------------------------------------------------------------------- + Warnings = 0 / Command count= 65 + Width * Height = 44.41766 * 44.96748 + Shift width * height = -2.69456 * -12.02556 Bond length = 12.75589 Atom size = 5.38914 - Atom count= 12 Bond count= 13 Ring count= 2 Hide H count= 14 ------------------------------------------------------------------- + Atom count= 11 Bond count= 12 Ring count= 2 Hide H count= 2 +--------------------------------------------------------------------------- < NO. ><atom(s) >( x axis , y axis )<bond><hideH><chg> A1 C ( 0 , 0 ) 3 1 A2 N ( 0.866 , -0.5 ) 3 - A3 C ( 1.732 , 0 ) 3 1 + A3 C ( 1.732 , 0 ) 4 A4 C ( 1.732 , 1 ) 4 - A5 C ( 0.866 , 1.5 ) 3 1 - A6 C ( 0 , 1 ) 3 1 - A7 C ( 2.304 , 1.33 ) 3 1 - A8 N ( 3.217 , 0.923 ) 3 - A9 C ( 3.886 , 1.666 ) 2 2 - A10 C ( 3.386 , 2.532 ) 2 2 - A11 C ( 2.408 , 2.325 ) 2 2 - A12 C ( 3.399 , 0.067 ) 1 3 ------------------------------------------------------------------- + A5 C ( 0.866 , 1.5 ) 4 + A6 N ( 0 , 1 ) 3 + A7 N ( 2.683 , -0.309 ) 3 + A8 C ( 3.271 , 0.5 ) 3 1 + A9 N ( 2.683 , 1.309 ) 3 + A10 NH2 ( 0.866 , 2.371 ) 1 + A11 H ( 2.683 , -0.732 ) 1 +--------------------------------------------------------------------------- < NO. >< bond (sdt)><angle +( +- )><length ( pt )> B1 1 -> 2 ( 2) 330 ( -30) 1 ( 12.76) B2 2 -> 3 ( 1) 30 ( 30) 1 ( 12.76) @@ -1703,23 +1696,22 @@ h : font height B4 4 -> 5 ( 1) 150 ( 150) 1 ( 12.76) B5 5 -> 6 ( 2) 210 ( -150) 1 ( 12.76) B6 6 -> 1 ( 1) 270 ( -90) 1 ( 12.76) - B7 4 -> 7 ( 1) 30 ( 30) 0.66 ( 8.42) - B8 7 -> 8 ( 1) 336 ( -24) 1 ( 12.76) - B9 8 -> 9 ( 1) 48 ( 48) 1 ( 12.76) - B10 9 -> 10 ( 1) 120 ( 120) 1 ( 12.76) - B11 10 -> 11 ( 1) 192 ( -168) 1 ( 12.76) - B12 11 -> 7 ( 1) 264 ( -96) 1 ( 12.76) - B13 8 -> 12 ( 1) 282 ( -78) 0.66 ( 8.42) ------------------------------------------------------------------- + B7 3 -> 7 ( 1) 342 ( -18) 1 ( 12.76) + B8 7 -> 8 ( 1) 54 ( 54) 1 ( 12.76) + B9 8 -> 9 ( 2) 126 ( 126) 1 ( 12.76) + B10 9 -> 4 ( 1) 198 ( -162) 0.66 ( 8.42) + B11 5 -> 10 ( 1) 90 ( 90) 0.66 ( 8.42) + B12 7 -> 11 ( 1) 270 ( -90) 0.36 ( 4.59) +--------------------------------------------------------------------------- <atom>( atom wt )[ mi wt ] < cnt > < sum wt >[ sum mi wt ] - C ( 12.0107)[ 12] * 10 120.10696[ 120] - H ( 1.00793)[ 1.00783] * 14 14.11108[ 14.10959] - N ( 14.0067)[ 14.00307] * 2 28.0134[ 28.00613] - Molecular Weight [Mono Isotopic] = 162.2314[ 162.11572] ------------------------------------------------------------------- - Weight Calc: 162.2314 / Input: 162.23 / weight gap= 0.00145 - Fomula Calc: C10H14N2 / Input: -================================================================== + C ( 12.0107)[ 12] * 5 60.05348[ 60] + H ( 1.00793)[ 1.00783] * 5 5.03967[ 5.03914] + N ( 14.0067)[ 14.00307] * 5 70.0335[ 70.01534] + Molecular Weight [Mono Isotopic] = 135.1266[ 135.05447] +--------------------------------------------------------------------------- + Weight Calc: 135.1266 / Input: 135.13 / weight gap= -0.00336 + Fomula Calc: C5H5N5 / Input: +=========================================================================== \end{verbatim}% \newpage %------------------------------------------------------------------------ @@ -1867,15 +1859,15 @@ endfont; %-------------------------------------------------------------------- \begin{document} \unitlength=1mm% -\INFO{F:mcf_man_soc,C:141,NO:1,mw:349.40462,fm:C16H19N3O4S,EN:Ampicillin}% -\INFO{F:mcf_man_soc,C:142,NO:2,mw:386.6532,fm:C27H46O,EN:Cholesterol}% +\INFO{F:mcf_man_soc,C:142,NO:1,mw:349.40462,fm:C16H19N3O4S,EN:Ampicillin}% +\INFO{F:mcf_man_soc,C:143,NO:2,mw:386.6532,fm:C27H46O,EN:Cholesterol}% \end{document} %-------------------------------------------------------------------- \end{verbatim}% %############################################################################ %------------------------------------------------------------------------ -\INFO{F:mcf_man_soc,C:141,NO:1,mw:349.40462,fm:C16H19N3O4S,EN:Ampicillin}% -\INFO{F:mcf_man_soc,C:142,NO:2,mw:386.6532,fm:C27H46O,EN:Cholesterol}% +\INFO{F:mcf_man_soc,C:142,NO:1,mw:349.40462,fm:C16H19N3O4S,EN:Ampicillin}% +\INFO{F:mcf_man_soc,C:143,NO:2,mw:386.6532,fm:C27H46O,EN:Cholesterol}% %------------------------------------------------------------------------ \texttt{\printindex} %------------------------------------------------------------------------ diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf Binary files differindex 473f7c635db..8e783244275 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf 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 84731a7e018..f96c6320337 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 2021.02.21 +% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2021.02.28 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -%%% mcf2graph.mf must be version 4.58 +%%% mcf2graph.mf must be version 4.59 \documentclass{article} %------------------------------------------------------------------------------ \usepackage{luamplib}% diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf index 4a3f4a766ab..9c68e1d84c9 100644 --- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf +++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% mcf2graph ver 4.58 Copyright (c) 2013-2021 Akira Yamaji +% mcf2graph ver 4.59 Copyright (c) 2013-2021 Akira Yamaji % % Permission is hereby granted, free of charge, to any person obtaining a copy of this software % and associated documentation files (the "Software"), to deal in the Software without restriction, @@ -37,34 +37,37 @@ % Set to use plain.mp (label,arrow,atom) : mpost -s labeloffset=2 FILENAME %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% tracingstats:=1; -message "* This is mcf2graph ver 4.58 2021.02.21"; +message "* This is mcf2graph ver 4.59 2021.02.28"; %------------------------------------------------------------------------------------------------- newinternal cntA,cntB,cntM,minX,minY,maxX,maxY,sftX,sftY,com,par,envT,envB,lenT,lineT,angT,rotT, crR,nA,nB,nC,nD,nE,nF,nS,nL,nR,nU,nP,xpos,ypos,markA,markB,saveA,saveB,bondL; numeric save_num[],comD[][],parD[][],adrD[][],cntD[],tbl_atom[],tbl_group[][],f_char[], tbl_atom_wt[],tbl_atom_mi[],tbl_char_wd[],tbl_char_ht[],addA[],add_rot[],chargeA[], com_group[][],par_group[][],cnt_group[],colorA[],colorB[],sumA[],bondC[],hideH[], - lineB[],sB[],eB[],angB[],angA[],lenB[],angX[],numS[],wdM[],htM[],wdA[],dxA[]; -string info[],mc[],save_str[],tbl_atom_str[],strD[],tag[],out_file_name,out_file_aux, + lineB[],sB[],eB[],angB[],angA[],lenB[],angX[],numS[],wdM[],htM[],wdA[],dxA[],mc_indent[]; +string save_str[],tbl_atom_str[],strD[],tag[],out_file_name,out_file_aux, out_file_rep,out_file_mpc,aux_delimiter,atomfont,mpfont,s_tag,s_var,cal_FM,cal_MW,cal_MI, - inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_MW,mc,blank_str; -pair save_pair[],posA[],posM[][],msize,mposition,fsize,fmargin,save_mposition,posBs,posBe; + inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_MW,blank_str; +pair save_pair[],posA[],posM[][],msize,mposition,fsize,fmargin,save_mposition,posBs,posBe,dum; picture mol_stru[],atom_picture,save_picture,temp_picture; path arrow_path,dottedline_path,line_path,arrow_head; %------------------------------------------------------------------------------------------------- char_num:=str_cnt:=tbl_cnt:=proc_end:=mangle:=sw_calc:=sw_ext_all:=0; sw_numberA:=sw_numberB:=sw_aux_out:=sw_expand:=sw_fframe:=sw_mframe:=sw_aframe:=sw_trimming:=0; -sw_rep_out:=sw_mol_out:=sw_group_off:=sw_single:=sw_arrow_emu:=sw_indent_off:=0; +sw_rep_out:=sw_mol_out:=sw_group_off:=sw_single:=sw_arrow_emu:=0; numberA_start:=numberB_start:=1; numberA_end:=numberB_end:=4095; %------------------------------------------------------------------------------------------------- aux_max:=max_inf_num:=20; aux_delimiter:=";"; for i=1 upto aux_max: tag[i]:=""; endfor blank_str:= " "; +dum:=(-4091,0); %------------------------------------------------------------------------------------------------- -a_paren_s:=ASCII("("); a_paren_e:=ASCII(")"); a_brace_s:=ASCII("{"); a_brace_e:=ASCII("}"); -a_bracket_s:=ASCII("["); a_bracket_e:=ASCII("]"); a_comma:=ASCII(","); a_equal:=ASCII("="); -a_colon:=ASCII(":"); a_atmark:=ASCII("@"); a_zero:=ASCII("0"); a_nine:=ASCII("9"); +a_prn_s:=ASCII("("); a_prn_e:=ASCII(")"); a_brc_s:=ASCII("{"); a_brc_e:=ASCII("}"); +a_brk_s:=ASCII("["); a_brk_e:=ASCII("]"); a_cmm:=ASCII(","); a_equ:=ASCII("="); +a_ast:=ASCII("*"); a_sls:=ASCII("/"); a_gtn:=ASCII("<"); a_ltn:=ASCII(">"); a_and:=ASCII("&"); +a_dol:=ASCII("$"); a_hsh:=ASCII("#"); a_hat:=ASCII("^"); a_tld:=ASCII("~"); a_bqt:=ASCII("`"); +a_cln:=ASCII(":"); a_amk:=ASCII("@"); a_zero:=ASCII("0"); a_nine:=ASCII("9"); %-------------------------------------------------------------------------------------------------- let DIV= /; let MUL= *; let LT= <; let GT= >; let AND= &; let :: = : ; let == = =; let ef=elseif; def ]]]=] ] ] enddef; @@ -211,12 +214,12 @@ def_com(-4090)(_com,_jp_atom,_jp_absA,_jp_bond,_cyc,_cyc_sB,_cyc_eB,_set_line,_t _chg_len,_get_len,_ring_len,_tmp_len,_rot_ang,_adj_ang,_chg_env,_tmp_env,_set_colorA,_set_colorB, _group_si,_set_adr,_mk_bond,_set_atom,_arrange_ang,_chg_atom,_tmp_rot,_fuse,_size_atom,_numeric, _jump_at,_set_add,_chg_add,_nop,_mark,_moff,_term,_len_s,_len_e,_len_ss,_len_ee, - _group_s,_group_e,_rest,_charge, + _group_s,_group_e,_rest,_charge,_zero_ang, si,dl,dl_,dr,dr_,db,dm,dm_,tm,wf,wb,bd,bz,zf,zb,dt,wv,nl,vf,vb,nb,si_,wf_,wb_,zf_,zb_,wv_,bd_); %-------------------------------------------------------------------------------------------------- def parameter_list= sw_rep_out,sw_numberA,sw_numberB,sw_mframe,sw_aux_out,sw_expand,sw_mol_out,sw_calc, - sw_single,sw_ext_all,sw_aframe,sw_fframe,sw_group_off,sw_trimming,sw_arrow_emu,sw_indent_off, + sw_single,sw_ext_all,sw_aframe,sw_fframe,sw_group_off,sw_trimming,sw_arrow_emu, ratio_atom_bond,ratio_thickness_bond,ratio_char_bond,ratio_chain_ring,ratio_bondgap_bond, ratio_zebra_black,ratio_zebragap_bond,ratio_thickness_char,ratio_wedge_bond,ratio_atomgap_atom, lonepairdiam,lonepairspace,blength,offset_atom,offset_wedge,max_blength,offset_zebra_gap, @@ -258,7 +261,8 @@ enddef; %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% def beginfont(text s)= begingroup - save ',f_beginchar,f_ext,blen,ext,add,ang_br,s_fw,s_bw,s_len,at_colon; + save ',f_beginchar,f_ext,blen,ext,add,ang_br,s_fw,s_bw,s_len,at_colon,info,mc; + string info[],mc[],mc; %------------------------------------------------------------------------------------------------ def ext=ext_to_font enddef; def add=add_to_molecule enddef; @@ -272,9 +276,8 @@ def beginfont(text s)= %------------------------------------------------------------------------------------------------ char_num:=char_num+1; store_par(parameter_list); - for i:=1 upto max_inf_num: info[i]:=":"; mc[i]:=""; endfor - f_ext:=inf_num:=cntM:=mc_low:=0; - for list=s: inf_num:=inf_num+1; info[inf_num]:=list; endfor + f_ext:=cntM:=mc_low:=inf_num:=0; + for list=s: inf_num:=inf_num+1; info[inf_num]:=list; mc[inf_num]:=""; endfor %------------------------------------------------------------------------------------------------ for j=1 upto inf_num: at_colon:=0; @@ -284,13 +287,9 @@ def beginfont(text s)= s_fw:=0; for k=2 upto s_len: if subc(k,info[j])<>" ": s_fw:=k; fi exitif s_fw>0; endfor s_bw:=0; for k=s_len downto 2: if subc(k,info[j])<>" ": s_bw:=k; fi exitif s_bw>0; endfor mc_low:=mc_low+1; - if sw_indent_off=0: - mc[mc_low]:=substring (2,s_len) of info[j]; - mc:=mc&substring (s_fw-1,s_bw) of info[j]; - else: - mc[mc_low]:=substring (s_fw-1,s_len) of info[j]; - mc:=mc&mc[mc_low]; - fi + mc_indent[mc_low]:=s_fw-2; + mc[mc_low]:=substring (s_fw-1,s_bw) of info[j]; + mc:=mc&mc[mc_low]; ef at_colon>=1: s_tag:=substring (0,at_colon-1) of info[j]; s_var:=substring (at_colon,s_len) of info[j]; @@ -339,7 +338,7 @@ def endfont= if f_MP=0: beginchar(char_num,font_wd/bp*bp#,font_ht/bp*bp#,0) else: beginfig(char_num) w:=charwd:=font_wd; h:=charht:=font_ht; fi - draw (0,h)--(0,0)--(w,0)--(w,h)--(0,h)--(w,0) wpcs 0.2bp; + draw (0,h)--(0,0)--(w,0)--(w,h)--(0,h)--(w,0) wpcs thickness_fframe; fi %----------------------------------------------------------------------------------------- endchar; @@ -354,7 +353,7 @@ def endfont= enddef; %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% def set_def_MC= - save /,//,/*,*/,**,*/*,~,^,',`,<,>,&,:,=,\,\\,*\,\*,*\*,@,$,&,#,##,{,},|,||,_,inside_def_MC; + save /,//,/*,*/,**,*/*,~,^,',`,<,>,&,:,=,\,\\,*\,\*,*\*,@,@@,$,&,#,##,{,},|,||,_,inside_def_MC; inside_def_MC:=1; pair |,||,##; | :=(_com,_mark); || := (_com,_moff); ##:=(_com,_len_e); @@ -369,21 +368,25 @@ enddef; %------------------------------------------------------------------------------------------------- vardef '(text TXT)= parts_cnt:=parts_cnt+1; read_mcf(parts_cnt)(TXT); parts_cnt enddef; vardef read_id(text TXT)=read_mcf(incr parts_cnt)(|,#crR,TXT,##,(_com,_rest)); parts_cnt enddef; -vardef read_ud(text TXT)=read_mcf(incr parts_cnt)(|,TXT,(_com,_rest)); parts_cnt enddef; +vardef read_ud(text TXT)=read_mcf(incr parts_cnt)(dum,dum,|,TXT,(_com,_rest)); parts_cnt enddef; +vardef abs_adress primary n == n-4095 enddef; tertiarydef a op_equ b = if (known a)and(known b):: change_bond(a,b) else:: _nop fi enddef; tertiarydef a op_col b = if (known a)and(known b):: change_atom(a,b) else:: _nop fi enddef; tertiarydef a op_hat b = if known b:: (_tmp_rot,b),a else:: _nop,a fi enddef; tertiarydef a op_til b = if known b:: (_tmp_line,b),a else:: _nop,a fi enddef; tertiarydef a op_lt b = if known b:: (_tmp_env,b),a else:: _nop,a fi enddef; tertiarydef a op_bq b = if known b:: (_tmp_len,b),a else:: _nop,a fi enddef; -def rot_angle primary n = (_rot_ang,n) enddef; def jump_atom primary n = (_jp_atom,n) enddef; +def rot_angle primary n = (_rot_ang,n) enddef; def cyc_atom primary n = (_cyc,n) enddef; -def chg_length primary n = (_com,_len_s),(_chg_len,n) enddef; +def jump_atom primary a = + if numeric a:: (_jp_atom,a) + elseif pair a:: (_jp_atom,$1),(_com,_zero_ang),angle(a)~0`length(a),(_com,_zero_ang) fi +enddef; +def chg_length primary n = (_com,_len_s),(_chg_len,n) enddef; def group_si secondary n == if known n:: (_group_si,n) else:: _nop fi enddef; def group_dm secondary n == /n~dm enddef; def group_wf secondary n == /n~wf enddef; def group_zf secondary n == /n~zf enddef; def group_wv secondary n == /n~wv enddef; def group_nb secondary n == /n~nb enddef; -vardef abs_adress primary n == n-4095 enddef; %------------------------------------------------------------------------------------------------- def CP = com_par enddef; def CPe = com_par_ex(0) enddef; def CPx = com_par_ex(1) enddef; %================================================================================================= @@ -1048,6 +1051,7 @@ def proc_skeleton(expr a)= ef com=_com: if par=_mark: saveA:=markA; saveB:=markB; markA:=cntA; markB:=cntB; ef par=_rest: markA:=saveA; markB:=saveB; ef par=_moff: markA:=markB:=0; ef par=_term: termB; + ef par=_zero_ang: angT:=0; ef par=_group_e: lineT:=si; lenT:=crR; rotT:=envT:=0; fi ef com=_jp_bond: termB; nA:=getB(par); posBs:=posA[sB[nA]]; angT:=angB[nA]; f_bra:=1; rotT:=0; ef com=_jp_atom: termB; adrT:=getA(par); posBs:=posA[adrT]; angT:=angX[adrT]; f_bra:=1; rotT:=0; @@ -1091,7 +1095,7 @@ enddef; vardef arrange_ang(expr n)= if cntB=0: angT:=(angT-180) mod 360; 180 else: - if envB>=parts_emb_start: parD[envB][cntB-temp_cntB+2] + if envB>=parts_emb_start: parD[envB][cntB-temp_cntB+3] else: if envB=hz: if n=0: 60 ef n<=90: -60 ef n<=180: 60 ef n<270: -60 else: 60 fi ef envB=vt: if n=0: -60 ef n<90: 60 ef n<=180: -60 ef n<=270: 60 else: -60 fi ef abs(envB)<=180: envB fi @@ -1570,15 +1574,24 @@ enddef; def proc_report_out= message "["&decimal(char_num)&"]:"&inf_EN; out_file_name:=out_file_rep; - printf "------------------------------------------------------------------"; - printf " Molecular name = "& inf_EN; + printf "==========================================================================="; + printf " No."&fdr(4)(char_num)&" / Name = "& inf_EN; + if mc_low>=1: + printf "---------------------------------------------------------------------------"; + for i=1 upto mc_low: + printf (substring(0,mc_indent[i]) of blank_str)&mc[i]; + endfor + printf "---------------------------------------------------------------------------"; + printf " mc length="&fdr(4)(length(mc))&" / mc low="&fdr(3)(mc_low); + fi + printf "---------------------------------------------------------------------------"; printf " Warnings = "&fdr(3)(warning_cnt)&" / Command count= "&decimal(cntD[0]); printf " Width * Height = " & fdr(10)(mol_wd)&" * "&fdr(10)(mol_ht); printf " Shift width * height = "& fdr(10)(minX)&" * "&fdr(10)(minY); printf " Bond length = "&fdr(3)(blen)&" Atom size = "&fdr(3)(atom_wd); printf " Atom count="&fdr(3)(cntA)&" Bond count="&fdr(3)(cntB)& " Ring count="&fdr(3)(cntB-cntA+1)&" Hide H count="&fdr(3)(hideH_cnt); - printf "------------------------------------------------------------------"; + printf "---------------------------------------------------------------------------"; printf "< NO. ><atom(s) >( x axis , y axis )<bond><hideH><chg>"; for i=1 upto cntA: printf " A"&fdl(6)(i)&fsl(8)(erase_brace(strD[numS[i]]))& @@ -1587,18 +1600,16 @@ def proc_report_out= iif(hideH[i]>0,fdr(6)(hideH[i])," ") if chargeA[i]<>0: &fdr(4)(chargeA[i]) fi; endfor - printf "------------------------------------------------------------------"; + printf "---------------------------------------------------------------------------"; printf "< NO. >< bond (sdt)><angle +( +- )><length ( pt )>"; for i=1 upto cntB: nC:=lenB[i]; if nC=_size_atom: nC:=ratio_atom_bond; elseif nC<0: nC:=-nC; fi - if lineB[i]<>0: nB:=angB[i]; if nB>180: nB:=nB-360; fi printf " B"&fdl(4)(i)&fdr(3)(sB[i])&" -> "&fdr(3)(eB[i])& " ("&fdr(3)(bondC[i])&")"&fdr(8)(round_auto(angB[i]))& " ("&fdr(6)(round_auto(nB))&")"&fdr(8)(nC)&" ("&fdr(8)(round_auto(nC*blen))&")"; - fi endfor - printf "------------------------------------------------------------------"; + printf "---------------------------------------------------------------------------"; printf "<atom>( atom wt )[ mi wt ] < cnt > < sum wt >[ sum mi wt ]"; for i=1 upto tbl_atom_max: if sumA[i]>=1: @@ -1612,12 +1623,12 @@ def proc_report_out= fi endfor printf " Molecular Weight [Mono Isotopic] = "&fsr(12)(cal_MW)&"["&fsr(12)(cal_MI)&"]"; - printf "------------------------------------------------------------------"; + printf "---------------------------------------------------------------------------"; printf " Weight Calc: " &cal_MW &" / Input: " if inf_MW<>"-": &inf_MW &" / weight gap= " &decimal(num_MW-scantokens(inf_MW)) fi; printf " Fomula Calc: "&cal_FM&" / Input: " if inf_FM<>"-": &inf_FM&" / "& iif(inf_FM=cal_FM,"MACTCH","NOT MACTCH") fi; - printf "=================================================================="; + printf "==========================================================================="; enddef; %================================================================================================= def proc_mol_out= @@ -1761,7 +1772,8 @@ NH!?!:='(NH,!,?!); NHCO!:='(NH,!,//O,!); CONH2:='(//O,!,NH2); ??:='(/_^35,/_^-35 CF2:='(/F,60,F); CCl2:='(/Cl,60,Cl); CBr2:='(/Br,60,Br); CF3:='(/F,/F^60,60,F); CCl3:='(/Cl,/Cl^60,60,Cl); CBr3:='(/Br,/Br^60,60,Br); %------------------------------------------------------------------------------------------------- -lr:='(60 for i==1 upto 10:: ,-60,60 endfor); rl:='(-60,lr); +lr:='(0,0,0,60 for i==1 upto 10:: ,-60,60 endfor); +rl:='(0,0,0,-60 for i==1 upto 10:: ,60,-60 endfor); for i=4,5,6: for j=2 upto i-2: ?[i][j]:='((_fuse,i),(j,0)); endfor endfor for i=5,6,7,8: for j=11 upto 15: ?[i][j]:='((_fuse,i),(j,0)); endfor endfor %------------------------------------------------------------------------------------------------- @@ -1784,26 +1796,86 @@ def expand_set= !SH:='(!,SH); !NO2:='(!,NO2); enddef; %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -vardef check_mc(expr s)= %%%%% prototype version %%%%%% +vardef check_mc(expr s)= save mc_char,mc_char,temp_c,err_cnt,char_cnt; - string temp_c; - numeric mc_char[]; - err_cnt:=char_cnt:=nA:=nB:=nC:=nD:=nE:=nF:=0; + string temp_c,err_str[],err_type[]; + numeric mc_char[],err_adr[],err_code[]; + err_cnt:=char_cnt:=code_cnt:=0; + err_type[1]:=" '(' > ')' "; + err_type[2]:=" '(' < ')' "; + err_type[3]:=" '{' > '}' "; + err_type[4]:=" '{' < '}' "; + err_type[5]:=" '[' > ']' "; + err_type[6]:=" '[' < ']' "; + err_type[7]:="missing arg"; + err_type[8]:="extra arg "; %----------------------------------------------------------------------------------------------- for i=1 upto length(s): temp_c:=subc(i,s); if temp_c<>" ": char_cnt:=char_cnt+1; mc_char[char_cnt]:=ASCII(temp_c); fi endfor + mc_char[0]:=mc_char[char_cnt+1]:=mc_char[char_cnt+2]:=a_cmm; + %-- argument missing chkeck -------------------------------------------------------------------- + nA:=1; + forever: + nB:=mc_char[nA-1]; nC:=mc_char[nA]; nD:=mc_char[nA+1]; nE:=mc_char[nA+2]; nF:=mc_char[nA+3]; + %--------------------------------------------------------------------------------------------- + if nC=a_cmm: + ef (nC=a_ast)and(nD=a_sls)and(nE=a_ast)and(nF=a_cmm): proc_error(7,nA) nA:=nA+3; % */* x + ef (nC=a_sls)and(nD=a_sls)and(nE=a_cmm): proc_error(7,nA) nA:=nA+2; % // x + ef (nC=a_sls)and(nD=a_ast)and(nE=a_cmm): proc_error(7,nA) nA:=nA+2; % /* x + ef (nC=a_ast)and(nD=a_sls)and(nE=a_cmm): proc_error(7,nA) nA:=nA+2; % */ x + ef (nC=a_ast)and(nD=a_ast)and(nE=a_cmm): proc_error(7,nA) nA:=nA+2; % ** x + ef (nC=a_hsh)and(nD=a_hsh): nA:=nA+2; % ## + ef (nC=a_sls)and(nD=a_cmm): proc_error(7,nA) % / x + ef (nC=a_dol)and(nD=a_cmm): proc_error(7,nA) % $ x + %-------------------------------------------------------------------------------------------- + ef nC=a_equ: if nD= a_cmm: proc_error(7,nA) fi % = x + if nB= a_cmm: proc_error(7,nA) fi % x = + ef nC=a_cln: if nD= a_cmm: proc_error(7,nA) fi % : x + if nB= a_cmm: proc_error(7,nA) fi % x : + ef nC=a_amk: if nD= a_cmm: proc_error(7,nA) fi % @ x + if nB<>a_cmm: proc_error(8,nA) fi % a @ + ef nC=a_hsh: if nD= a_cmm: proc_error(7,nA) fi % # x + if nB<>a_cmm: proc_error(8,nA) fi % a # + ef nC=a_and: if nD= a_cmm: proc_error(7,nA) fi % & x + if nB<>a_cmm: proc_error(8,nA) fi % a & + ef nC=a_gtn: if nD= a_cmm: proc_error(7,nA) fi % < x + if nB<>a_cmm: proc_error(8,nA) fi % a < + ef nC=a_ltn: if nD= a_cmm: proc_error(7,nA) fi % > x + if nB= a_cmm: proc_error(7,nA) fi % x > + ef nC=a_tld: if nD= a_cmm: proc_error(7,nA) fi % ~ x + if nB= a_cmm: proc_error(7,nA) fi % x ~ + ef nC=a_hat: if nD= a_cmm: proc_error(7,nA) fi % ^ x + if nB= a_cmm: proc_error(7,nA) fi % x ^ + ef nC=a_bqt: if nD= a_cmm: proc_error(7,nA) fi % ` x + if nB= a_cmm: proc_error(7,nA) fi % x ` + %--------------------------------------------------------------------------------- + fi + nA:=nA+1; + exitif nA>=char_cnt; + endfor %-- check brackets ----------------------------------------------------------------------------- + nA:=nB:=nC:=nD:=nE:=nF:=0; for i=1 upto char_cnt: - if mc_char[i]=a_paren_s: nA:=nA+1; ef mc_char[i]=a_paren_e: nB:=nB+1; - ef mc_char[i]=a_brace_s: nC:=nC+1; ef mc_char[i]=a_brace_e: nD:=nD+1; - ef mc_char[i]=a_bracket_s: nE:=nE+1; ef mc_char[i]=a_bracket_e: nF:=nF+1; + if mc_char[i]=a_prn_s: nA:=nA+1; ef mc_char[i]=a_prn_e: nB:=nB+1; + ef mc_char[i]=a_brc_s: nC:=nC+1; ef mc_char[i]=a_brc_e: nD:=nD+1; + ef mc_char[i]=a_brk_s: nE:=nE+1; ef mc_char[i]=a_brk_e: nF:=nF+1; fi endfor - if nA<>nB: err_cnt:=err_cnt+1; fi if nC<>nD: err_cnt:=err_cnt+1; fi - if nE<>nF: err_cnt:=err_cnt+1; fi + if nA>nB: proc_error(1,0) ef nA<nB: proc_error(2,0) fi + if nC>nD: proc_error(3,0) ef nC<nD: proc_error(4,0) fi + if nE>nF: proc_error(5,0) ef nE<nF: proc_error(6,0) fi %----------------------------------------------------------------------------------------------- - if err_cnt>=1: message "* "&decimal(err_cnt)&"fatal error"; fi + for i=1 upto err_cnt: + message "*"&fdr(3)(i)&" "&err_type[err_code[i]]&fdr(4)(err_adr[i])&" '"&err_str[i]&"'"; + endfor +%%%% readstring; err_cnt enddef; +%------------------------------------------------------------------------------------------------- +def proc_error(expr ERR_CODE,ADR)= + err_cnt:=err_cnt+1; err_adr[err_cnt]:=ADR; + err_code[err_cnt]:=ERR_CODE; + if ADR=0: err_str[err_cnt]:=" "; else: err_str[err_cnt]:=substring (ADR-3,ADR+2) of mc; fi +enddef; %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% |