diff options
Diffstat (limited to 'graphics')
-rw-r--r-- | graphics/mcf2graph/CHANGELOG | 7 | ||||
-rw-r--r-- | graphics/mcf2graph/README | 4 | ||||
-rw-r--r-- | graphics/mcf2graph/mcf2graph.mp | 97 | ||||
-rw-r--r-- | graphics/mcf2graph/mcf_exa_code.pdf | bin | 79537 -> 78850 bytes | |||
-rw-r--r-- | graphics/mcf2graph/mcf_exa_code.tex | 5 | ||||
-rw-r--r-- | graphics/mcf2graph/mcf_exa_soc.mp | 18 | ||||
-rw-r--r-- | graphics/mcf2graph/mcf_example.pdf | bin | 450444 -> 449243 bytes | |||
-rw-r--r-- | graphics/mcf2graph/mcf_example.tex | 4 | ||||
-rw-r--r-- | graphics/mcf2graph/mcf_library.mcf | 2125 | ||||
-rw-r--r-- | graphics/mcf2graph/mcf_man_soc.mp | 8 | ||||
-rw-r--r-- | graphics/mcf2graph/mcf_manual.pdf | bin | 289199 -> 289188 bytes | |||
-rw-r--r-- | graphics/mcf2graph/mcf_manual.tex | 85 | ||||
-rw-r--r-- | graphics/mcf2graph/mcf_mplib_exa.pdf | bin | 195580 -> 195490 bytes | |||
-rw-r--r-- | graphics/mcf2graph/mcf_mplib_exa.tex | 19 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/README.md | 2 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-calendar.tex (renamed from graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-calendar.tex) | 22 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-intro.tex (renamed from graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-intro.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-calendar-plus.tex (renamed from graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-calendar-plus.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-misc.tex (renamed from graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-misc.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-node-families.tex (renamed from graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-node-families.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-paths.arcto.tex (renamed from graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-paths.arcto.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-paths.ortho.tex (renamed from graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-paths.ortho.tex) | 60 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-paths.timer.tex (renamed from graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-paths.timer.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-patterns.images.tex (renamed from graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-patterns.images.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-positioning-plus.tex (renamed from graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-positioning-plus.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-topaths.arcthrough.tex (renamed from graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-topaths.arcthrough.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-trans.tex (renamed from graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-trans.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-main-body.tex (renamed from graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-main-body.tex) | 26 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-main-preamble.tex (renamed from graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-main-preamble.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-pgf-shapes-circlearrow.tex (renamed from graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-pgf-shapes-circlearrow.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-pgf-shapes-circlecrosssplit.tex (renamed from graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-pgf-shapes-circlecrosssplit.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-pgf-shapes-heatmark.tex (renamed from graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-pgf-shapes-heatmark.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-pgf-shapes-rectround.tex (renamed from graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-pgf-shapes-rectround.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-pgf-shapes-superellipse.tex (renamed from graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-pgf-shapes-superellipse.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-pgf-trans.tex (renamed from graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-pgf-trans.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual.bib (renamed from graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual.bib) | 23 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual.pdf (renamed from graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual.pdf) | bin | 525958 -> 534933 bytes | |||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual.tex (renamed from graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual.tex) | 12 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/pgfcalendar-ext.code.tex (renamed from graphics/pgf/contrib/tikz-ext/pgfcalendar-ext.code.tex) | 85 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/pgflibraryext.shapes.circlearrow.code.tex (renamed from graphics/pgf/contrib/tikz-ext/pgflibraryext.shapes.circlearrow.code.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/pgflibraryext.shapes.circlecrosssplit.code.tex (renamed from graphics/pgf/contrib/tikz-ext/pgflibraryext.shapes.circlecrosssplit.code.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/pgflibraryext.shapes.heatmark.code.tex (renamed from graphics/pgf/contrib/tikz-ext/pgflibraryext.shapes.heatmark.code.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/pgflibraryext.shapes.rectangleroundedcorners.code.tex (renamed from graphics/pgf/contrib/tikz-ext/pgflibraryext.shapes.rectangleroundedcorners.code.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/pgflibraryext.shapes.superellipse.code.tex (renamed from graphics/pgf/contrib/tikz-ext/pgflibraryext.shapes.superellipse.code.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/pgflibraryext.transformations.mirror.code.tex (renamed from graphics/pgf/contrib/tikz-ext/pgflibraryext.transformations.mirror.code.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.calendar-plus.code.tex (renamed from graphics/pgf/contrib/tikz-ext/tikzlibraryext.calendar-plus.code.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.misc.code.tex (renamed from graphics/pgf/contrib/tikz-ext/tikzlibraryext.misc.code.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.node-families.code.tex (renamed from graphics/pgf/contrib/tikz-ext/tikzlibraryext.node-families.code.tex) | 2 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.node-families.shapes.geometric.code.tex (renamed from graphics/pgf/contrib/tikz-ext/tikzlibraryext.node-families.shapes.geometric.code.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.paths.arcto.code.tex | 326 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.paths.ortho.code.tex (renamed from graphics/pgf/contrib/tikz-ext/tikzlibraryext.paths.ortho.code.tex) | 77 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.paths.timer.code.tex (renamed from graphics/pgf/contrib/tikz-ext/tikzlibraryext.paths.timer.code.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.patterns.images.code.tex (renamed from graphics/pgf/contrib/tikz-ext/tikzlibraryext.patterns.images.code.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.positioning-plus.code.tex (renamed from graphics/pgf/contrib/tikz-ext/tikzlibraryext.positioning-plus.code.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.topaths.arcthrough.code.tex (renamed from graphics/pgf/contrib/tikz-ext/tikzlibraryext.topaths.arcthrough.code.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.transformations.mirror.code.tex (renamed from graphics/pgf/contrib/tikz-ext/tikzlibraryext.transformations.mirror.code.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/tex/latex/tikz-ext/pgfcalendar-ext.sty (renamed from graphics/pgf/contrib/tikz-ext/pgfcalendar-ext.sty) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/tex/plain/tikz-ext/pgfcalendar-ext.tex (renamed from graphics/pgf/contrib/tikz-ext/pgfcalendar-ext.tex) | 0 | ||||
-rw-r--r-- | graphics/pgf/contrib/tikz-ext/tikzlibraryext.paths.arcto.code.tex | 104 |
59 files changed, 1756 insertions, 1355 deletions
diff --git a/graphics/mcf2graph/CHANGELOG b/graphics/mcf2graph/CHANGELOG index cab0e24d66..a5160a5a14 100644 --- a/graphics/mcf2graph/CHANGELOG +++ b/graphics/mcf2graph/CHANGELOG @@ -1,6 +1,11 @@ ******************************************************************************* - Changelog of mcf2graph software package by Akira Yamaji 2022-08-22 + Changelog of mcf2graph software package by Akira Yamaji 2022-10-10 ******************************************************************************* +[ver. 4.88 / 2022-10-10] + -change format of mcf_library.mcf + -update MCF manual,example + -update mcf_library.mcf + [ver. 4.87 / 2022-08-22] -change format of mcf_library.mcf -change output file name diff --git a/graphics/mcf2graph/README b/graphics/mcf2graph/README index 3596c877de..bbeb4dcb83 100644 --- a/graphics/mcf2graph/README +++ b/graphics/mcf2graph/README @@ -1,7 +1,7 @@ ******************************************************************************** mcf2graph : Convert Molecular Coding Format to graphics with MetaPost Author : Akira Yamaji - version : 4.87 2022-08-22 + version : 4.88 2022-10-10 E-mail : mcf2graph@gmail.com Located at : http://www.ctan.org/pkg/mcf2graph ******************************************************************************** @@ -48,7 +48,7 @@ (11) >mpost -s ahlength=7 filename => output report file 4. License - mcf2graph ver 4.87 Copyright (c) 2013-2022 Akira Yamaji + mcf2graph ver 4.88 Copyright (c) 2013-2022 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 diff --git a/graphics/mcf2graph/mcf2graph.mp b/graphics/mcf2graph/mcf2graph.mp index a5c880ed0b..729be297d0 100644 --- a/graphics/mcf2graph/mcf2graph.mp +++ b/graphics/mcf2graph/mcf2graph.mp @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% mcf2graph ver 4.87 Copyright (c) 2013-2022 Akira Yamaji +% mcf2graph ver 4.88 Copyright (c) 2013-2022 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, @@ -33,7 +33,7 @@ % Set output MOL file (V3000) : mpost -s ahlength=6 FILENAME % Set output report : mpost -s ahlength=7 FILENAME %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -message "* This is mcf2graph ver 4.87 2022.08.22"; +message "* This is mcf2graph ver 4.88 2022.10.10"; tracingstats:=1; prologues:=3; warningcheck:=0; %------------------------------------------------------------------------------------------------- newinternal string EN_; @@ -185,13 +185,13 @@ def beginfigm(text s)= save ',mc,f_ext,blen,ext,add,ang_br,fw_n,bw_n,at_colon,info_cnt,group_num,bond_cntA,warning_cnt, hideH,hideH_cnt,filter_s,mc_indent,cntM,cntA,cntB,minX,minY,maxX,maxY,posA,posM,lineB, sB,eB,angB,angA,lenB,angX,numS,sumA,bond_num,wdM,htM,chargeA,addA,add_rot,cal_FM,cal_MW, - cal_MI,inf_Cat,inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_MW, - mol_pic,sC,sI,sS,sT,sV,color_list,unit_cnt,f_end,semic_cnt,f_match,var_n,tag_a,var_a; - numeric mc_indent[],hideH[],lineB[],sB[],eB[],angB[],angA[],lenB[],angX[],strA[],sumA[], - bond_num[],wdM[],htM[],chargeA[],addA[],add_rot[]; + cal_MI,inf_Cat,inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_MW,mol_pic, + sC,sI,sS,sT,sV,color_list,unit_cnt,f_end,semic_cnt,f_match,var_n,tag_a,var_a; + numeric mc_indent[],op_indent[],ex_indent[],ad_indent[],hideH[],lineB[],sB[],eB[],angB[],angA[], + lenB[],angX[],strA[],sumA[],bond_num[],wdM[],htM[],chargeA[],addA[],add_rot[]; pair posA[],posM[][]; - string mc[],tag_a[],var_a[],mc,filter_s,cal_FM,cal_MW,cal_MI,inf_Cat,inf_NO,inf_EN,inf_JN, - inf_FM,inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_MW,sC,sI,sS,sT,sV; + string mc[],ex[],ad[],op[],tag_a[],var_a[],mc,ex,ad,op,filter_s,cal_FM,cal_MW,cal_MI,inf_Cat, + inf_NO,inf_EN,inf_JN,inf_FM,inf_CAS,inf_USE,inf_EXA,inf_EXB,inf_MW,sC,sI,sS,sT,sV,firstc; picture mol_pic[]; color color_list[]; %------------------------------------------------------------------------------------------------ @@ -200,17 +200,22 @@ def beginfigm(text s)= let ext=ext_to_fig; let add=add_to_molecule; def '=read_ud enddef; %------------------------------------------------------------------------------------------------ inf_NO:=inf_EN:=inf_JN:=inf_MW:=inf_FM:=inf_CAS:=inf_Cat:=inf_EXA:=inf_EXB:="-"; - mc:=temps:=cal_MW:=cal_MI:=cal_FM:=filter_s:=""; file_input:=default_library; + mc:=ex:=ad:=op:=temps:=cal_MW:=cal_MI:=cal_FM:=filter_s:=""; file_input:=default_library; %------------------------------------------------------------------------------------------------ parts_num:=parts_usr_start; parts_int:=parts_int_start; - fig_num:=fig_num+1; f_ext:=cntM:=mc_row:=info_cnt:=f_EOF:=0; + fig_num:=fig_num+1; f_ext:=cntM:=mc_row:=ex_row:=ad_row:=op_row:=info_cnt:=f_EOF:=0; %------------------------------------------------------------------------------------------------ for list=s: - at_colon:=scan_c(":",list); - if at_colon=1: - fw_n:=scan_char(" ",list,1,2); bw_n:=scan_char(" ",list,-1,2); - mc_indent[incr mc_row]:=fw_n-2; - mc[mc_row]:=substring(fw_n-1,bw_n) of list; mc:=mc&mc[mc_row]; + at_colon:=scan_c(":",list); firstc:=subc(1,list); + fw_n:=scan_char(" ",list,1,2); bw_n:=scan_char(" ",list,-1,2); + if firstc=":": mc_indent[incr mc_row]:=fw_n-2; + mc[mc_row]:=substring(fw_n-1,bw_n) of list; mc:=mc&mc[mc_row]; + ef firstc="*": ex_indent[incr ex_row]:=fw_n-2; + ex[ex_row]:=substring(fw_n-1,bw_n) of list; ex:=ex&ex[ex_row]; + ef firstc="+": ad_indent[incr ad_row]:=fw_n-2; + ad[ad_row]:=substring(fw_n-1,bw_n) of list; ad:=ad&ad[ad_row]; + ef firstc="=": op_indent[incr op_row]:=fw_n-2; + op[op_row]:=substring(fw_n-1,bw_n) of list; op:=op&op[op_row]; ef at_colon>=1: info_s[incr info_cnt]:=list; sT:=substring(0,at_colon-1) of list; sV:=substring(at_colon,length(list)) of list; @@ -292,29 +297,31 @@ def pickup_data_unit(expr t,v,f)= f_end:=unit_cnt:=semic_cnt:=f_match:=inf_num:=0; if t="n": var_n:=scantokens(v); fi forever: - sS:=readfrom file_input; if sS=EOF: f_EOF:=1; fi exitif f_EOF=1; - if subc(1,sS)="%": - ef subc(1,sS)="+": + temps:=readfrom file_input; if temps=EOF: f_EOF:=1; fi exitif f_EOF=1; firstc:=subc(1,temps); + if firstc="%": + ef (firstc=":")or(firstc="="): + if firstc=":": nF:=1; ef firstc="=": nF:=2; fi unit_cnt:=unit_cnt+1; if v="*": f_match:=1; ef t="n": if unit_cnt=var_n: f_match:=1; fi fi if f_match=1: forever: - sS:=readfrom file_input; - if sS=EOF: f_EOF:=1; fi exitif f_EOF=1; exitif subc(1,sS)="+"; - if subc(1,sS)<>"%": - fw_n:=scan_char(" ",sS,1,1); mc_indent[incr mc_row]:=fw_n-1; - mc[mc_row]:=substring(fw_n-1,length(sS)) of sS; mc:=mc&mc[mc_row]; fi + sS:=readfrom file_input; firstc:=subc(1,sS); nS:=length(sS); + if sS=EOF: f_EOF:=1; fi exitif f_EOF=1; exitif firstc=";"; + if firstc=":": nF:=1; ef firstc="=": nF:=2; ef firstc="*": nF:=3; ef firstc="+": nF:=4; + else: fw_n:=scan_char(" ",sS,1,1)-1; temps:=substring(fw_n,nS) of sS; + if nF=1: mc_indent[incr mc_row]:=fw_n; mc[mc_row]:=temps; mc:=mc&mc[mc_row]; + ef nF=2: op_indent[incr op_row]:=fw_n; op[op_row]:=temps; op:=op&op[op_row]; + ef nF=3: ex_indent[incr ex_row]:=fw_n; ex[ex_row]:=temps; ex:=ex&ex[ex_row]; + ef nF=4: ad_indent[incr ad_row]:=fw_n; ad[ad_row]:=temps; ad:=ad&ad[ad_row]; fi fi endfor for i=1 upto inf_num: - if known scantokens("inf_"&tag_a[i]): scantokens("inf_"&tag_a[i]):=var_a[i]; fi - endfor + if known scantokens("inf_"&tag_a[i]): scantokens("inf_"&tag_a[i]):=var_a[i]; fi endfor f_end:=1; else: - forever: - sS:=readfrom file_input; if sS=EOF: f_EOF:=1; fi exitif f_EOF=1; exitif subc(1,sS)="+"; - endfor + forever: sS:=readfrom file_input; + if sS=EOF: f_EOF:=1; fi exitif f_EOF=1; exitif subc(1,sS)=";"; endfor fi else: - inf_num:=split_str(sS,";")(arg_s); + inf_num:=split_str(temps,";")(arg_s); for i=1 upto inf_num: get_tag_var(arg_s[i])(tag_a[i],var_a[i]); if t=tag_a[i]: if v=var_a[i]: f_match:=1; fi fi endfor @@ -553,12 +560,12 @@ enddef; %------------------------------------------------------------------------------------------------- def add_to_molecule(text t)= begingroup - save w,h,n,l,p,am,aw,A,B,plus,minus,lonepair,__,**,=>,<<,/*; + save w,h,n,l,p,am,aw,A,B,plus,minus,lonepair,wave_line,__,**,=>,<<,/*; numeric A[]dir,B[]up,A[]ang,B[]ang; pair __,p[],A[],B[]s,B[]e,B[]m,A[]up,A[]left,A[]right,A[]down,B[]up,B[]left,B[]right,B[]down; path B[]; def plus = circled_plus_add enddef; def minus = circled_minus_add enddef; - def lonepair = lone_pair_add enddef; + def lonepair = lone_pair_add enddef; def wave_line = wave_line_add enddef; ext_setup; w:=mol_wd; h:=mol_ht; l:=blen; aw:=atom_wd; p0:=(minX,minY); lonepairdiam:=0.3aw; lonepairspace:=.7aw; circlediam:=.6aw; circlepen:=.2; @@ -595,6 +602,10 @@ vardef circled_minus_add= nA:=circlediam; nB:=circlepen; vardef lone_pair_add expr n= image(draw (0,0) wpcs lonepairdiam; draw ((0,lonepairspace) rotated n) wpcs lonepairdiam;) enddef; +%------------------------------------------------------------------------------------------------- +vardef wave_line_add expr n= + image() +enddef; %================================================================================================= def MCat(expr w,h)(text t)= save_mposition:=mposition; mposition:=(w,h); MC(t) mposition:=save_mposition; enddef; @@ -966,10 +977,9 @@ def draw_bond(expr n)= ef nL=zf: wz_put(Ls,sfrt(Le,ww,ap),sfrt(Le,ww,am)); ef nL=zb: wz_put(Le,sfrt(Ls,ww,am),sfrt(Ls,ww,ap)); ef nL=dt: for i=0 step .75hash_gap/lenL until 1: drawdot i[Ls,Le]; endfor - ef nL=wv: nA:=3bond_pen_wd; nB:=lenL/nA; - draw Le for i=1 upto nB: - ..controls(((i-.5)/nB)[sfrt(Le,nA,iif(odd(i),ap,am)),sfrt(Ls,nA,iif(odd(i),ap,am))]) - ..(i/nB)[Le,Ls] endfor ..Ls; + ef nL=wv: nA:=.4bondgap; nB:=round(lenL/nA); + draw Ls for i=1 upto nB: ..controls(point (i-.5)/nB of sfrt(zA,nA,iif(odd i,ap,am))) + ..point i/nB of zA endfor ef nL=wf_r: filldraw Ls--sfrt(Le,.35ww,am)--sfrt(Le,.35ww,ap)--cycle wpcs .05ww; ef nL=wb_r: filldraw sfrt(Ls,.35ww,am)--Le--sfrt(Ls,.35ww,ap)--cycle wpcs .05ww; ef nL=bd_r: draw zA wpcs .65bondgap; @@ -1013,15 +1023,12 @@ def draw_bond(expr n)= if f_col=1: drawoptions(); fi enddef; %------------------------------------------------------------------------------------------------ -def wz_put(expr a,b,c)= - for i=0 upto lenL/hash_gap: - nA:=hash_gap*i/lenL; nD:=(hash_gap*i+ratio_hash_black*hash_gap)/lenL; - if nD>((lenL-hash_gap)/lenL): nD:=1; fi - fill nA[b,a]--nA[c,a]--nD[c,a]--nD[b,a]--cycle; endfor enddef; +def wz_put(expr a,b,c)= nB:=round(lenL/hash_gap); + for i=1 upto nB: nA:=i/nB; if i=1: nD:=0; else: nD:=(i-ratio_hash_black)/nB; fi + fill nD[a,b]--nD[a,c]--nA[a,c]--nA[a,b]--cycle; endfor enddef; %------------------------------------------------------------------------------------------------ -def bz_put(expr a,b,c,d)= - for i=0 upto lenL/hash_gap: - nA:=hash_gap*i/lenL; nD:=(hash_gap*i+ratio_hash_black*hash_gap)/lenL; +def bz_put(expr a,b,c,d)= nB:=round(lenL/hash_gap); + for i=0 upto nB-1: nA:=i/nB; nD:=nA+ratio_hash_black/nB; fill nA[b,a]--nA[d,c]--nD[d,c]--nD[b,a]--cycle; endfor enddef; %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% def char_size_set(expr w,h)(expr s)= @@ -1588,7 +1595,7 @@ def mc_query(text s)= temps:=readfrom file_input; exitif temps=EOF; if subc(1,temps)<>"%": line_s[unit_cnt][incr unit_row]:=temps; - if (substring(0,2) of temps)="+-": + if subc(1,temps)=";": row_cnt[unit_cnt]:=unit_row; f_mcf:=unit_row:=0; filter_n:=1; for i=1 upto filter_cnt: filter_p[i]:=0; endfor sort_s:=""; @@ -1609,7 +1616,7 @@ def mc_query(text s)= for i=1 upto filter_cnt: if filter_p[i]=0: filter_n:=0; fi endfor info_cnt:=0; lib_unit_cnt:=lib_unit_cnt+1; if filter_n=1: if key_s<>"": sort_tbl[unit_cnt]:=sort_s; fi unit_cnt:=unit_cnt+1; fi - ef subc(1,temps)="+": f_mcf:=1; mc_row:=1; + ef (subc(1,temps)=":")or(subc(1,temps)="="): f_mcf:=1; mc_row:=1; ef subc(1,temps)<>"%": if f_mcf=1: mc_row:=mc_row+1; else: info_cnt:=split_str(temps,";")(arg_s); fi fi fi diff --git a/graphics/mcf2graph/mcf_exa_code.pdf b/graphics/mcf2graph/mcf_exa_code.pdf Binary files differindex e172c0175f..b0efde435d 100644 --- a/graphics/mcf2graph/mcf_exa_code.pdf +++ b/graphics/mcf2graph/mcf_exa_code.pdf diff --git a/graphics/mcf2graph/mcf_exa_code.tex b/graphics/mcf2graph/mcf_exa_code.tex index 73b13f6f19..7500dcfdf3 100644 --- a/graphics/mcf2graph/mcf_exa_code.tex +++ b/graphics/mcf2graph/mcf_exa_code.tex @@ -1,7 +1,7 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Print out mcf data list by A.Yamaji 2022.08.22 +% Print out mcf data list by A.Yamaji 2022.10.10 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% ** mcf2graph.mf must be version 4.87 +% ** mcf2graph.mf must be version 4.88 % ** use mcf_library.mcf % ** typeset by LuaLaTeX(luamplib) \documentclass{article} @@ -78,6 +78,7 @@ \begin{mplibcode}% %%%%%% beginfigm("t:EXA","v+:*") %%%%%% beginfigm("t:EXA","v+:1") +%%%%%% beginfigm("t:EXA","v+:9") beginfigm("t:EXA","v+:2") if mc_check(mc)=0: MC(scantokens(mc)) diff --git a/graphics/mcf2graph/mcf_exa_soc.mp b/graphics/mcf2graph/mcf_exa_soc.mp index 23fd6742a2..4757efc670 100644 --- a/graphics/mcf2graph/mcf_exa_soc.mp +++ b/graphics/mcf2graph/mcf_exa_soc.mp @@ -1,8 +1,8 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format by Akira Yamaji 2022.08.22 +% Molecular Coding Format by Akira Yamaji 2022.10.10 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -input mcf2graph; %%% it must be version 4.87 -message "* mcf_exa_soc 2022.08.22"; +input mcf2graph; %%% it must be version 4.88 +message "* mcf_exa_soc 2022.10.10"; message ""; %------------------------------------------------------------------------------ %%%%sw_frame:=Outside; @@ -15,7 +15,7 @@ tag1:="J"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW"; %% outputformat:="png"; hppp:=vppp:=0.1; outputtemplate:="p%3c-%{EN_}.png"; %% outputformat:="svg"; outputtemplate:="s%3c-%{EN_}.svg"; %------------------------------------------------------------------------------ -%ext(defaultfont:=mpfont; defaultscale:=.3; label.rt(inf_EN,(0,0));) +%ext(defaultscale:=.3; label.rt(inf_EN,(0,0));) %------------------------------------------------------------------------------ %sw_output:=Fig+Info; %ext(defaultfont:=mpfont; defaultscale:=.3; @@ -35,8 +35,16 @@ forever: %%%% beginfigm("f:mcf_library","v+:*") % 'mcf_library.mcf'(default) %%%% beginfigm("f:temp","v+:*") % use query output 'temp.mcf' %%%% beginfigm("v+:*") % select all +%%%% beginfigm("t:EXA","v+:1","* defaultscale:=.3; label.rt(inf_EN,(0,0));") +%%%% beginfigm("t:EXA","v+:1","+ defaultscale:=.5; label(decimal(fig_num),p0);") +%%%% beginfigm("t:EXA","v+:1","= sw_frame:=Outside;") beginfigm("t:EXA","v+:1") % 'v+:1': select EXA=1 - if f_EOF=0: if mc_check(mc)=0: MC(scantokens(mc)) fi fi + if f_EOF=0: + if op_row>=1: scantokens(op) fi + if mc_check(mc)=0: MC(scantokens(mc)) fi + if ex_row>=1: ext(scantokens(ex)) fi + if ad_row>=1: add(scantokens(ad)) fi + fi endfigm exitif f_EOF=1; % exit if file end endfor diff --git a/graphics/mcf2graph/mcf_example.pdf b/graphics/mcf2graph/mcf_example.pdf Binary files differindex 7f98f432f3..fd1caad561 100644 --- a/graphics/mcf2graph/mcf_example.pdf +++ b/graphics/mcf2graph/mcf_example.pdf diff --git a/graphics/mcf2graph/mcf_example.tex b/graphics/mcf2graph/mcf_example.tex index 0ccfa64654..8d5ea965f0 100644 --- a/graphics/mcf2graph/mcf_example.tex +++ b/graphics/mcf2graph/mcf_example.tex @@ -1,7 +1,7 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Example of MCF Typeset with LuaLaTeX(luamplib) by A.Yamaji 2022.08.22 +% Example of MCF Typeset with LuaLaTeX(luamplib) by A.Yamaji 2022.10.10 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% ** mcf2graph.mf must be version 4.87 +% ** mcf2graph.mf must be version 4.88 % ** use mcf_library.mcf % ** typeset by LuaLaTeX(luamplib) \documentclass{article} diff --git a/graphics/mcf2graph/mcf_library.mcf b/graphics/mcf2graph/mcf_library.mcf index 0e9ee8f4c2..61909067d0 100644 --- a/graphics/mcf2graph/mcf_library.mcf +++ b/graphics/mcf2graph/mcf_library.mcf @@ -1,1129 +1,1154 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% molecular library file mcf_library.mcf by Akira Yamaji 2022.08.22 +% molecular library file mcf_library.mcf by Akira Yamaji 2022.10.10 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % tag1:var1;tag2:var2;tag3:var3 ..... % first character of line "%" comment out -% first character of line "+" start,stop MCF +% first character of line ":" start MCF +% first character of line "=" start parameter setting +% first character of line "*" start ext(...) +% first character of line "+" start add(...) +% first character of line ";" stop MCF % Cat = Category,EN = Name,MW = Molecular weight %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +Cat:Category;EN:Example;MW:100.00;EXA:% += + sw_frame:=Atom; +: +<30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH +* + defaultscale:=.5; + label.bot(decimal(fig_num)&":"&inf_EN,(.5w,0)); ++ + defaultscale:=.3; + label.bot("A2",A2) withcolor red; + label.top("A6",A6) withcolor red; + label.top("A9",A9) withcolor red; +; %============================================================================== % molecular data for mcf_example.tex EXA:1[155] EXA:2[7] %============================================================================== Cat:biological;EN:Adenine;MW:135.13;EXA:1 -+ +: <30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Guanine;MW:151.13;EXA:1 -+ +: <30,?6,3=?5,{1,3,9}=dl,{2,9}:N,{6,7}:NH,5://O,1:/NH2 -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Cytosine;MW:111.10;EXA:1 -+ +: <30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2 -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Thymine;MW:126.11;EXA:1 -+ +: <30,?6,3=dl,{2,6}:NH,{1,5}://O,4:/_ -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Uracil;MW:112.09;EXA:1 -+ +: <30,?6,6=dl,{3,5}://O,{2,4}:NH -+ +; %== Amino acid ================================================================ Cat:biological;EN:Glycine;MW:75.07;EXA:- -+ +: <30,NH2,!2,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Glycine;MW:75.07;EXA:- -+ +: <30,NH2,!2,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:L-Alanine;MW:89.10;EXA:- -+ +: <30,NH2,!~wb,?!,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:L-Valine;MW:117.15;EXA:- -+ +: <30,NH2,!~wb,/?!,!,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:L-Leucine;MW:131.16;EXA:1 -+ +: <30,NH2,!~wb,/!?!,!,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:L-Isoleucine;MW:131.16;EXA:- -+ +: <30,NH2,!~wb,/'(/*_,!2),!,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:L-Serine;MW:105.09;EXA:- -+ +: <30,NH2,!~wb,/!OH,!,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:L-Threonine;MW:119.12;EXA:- -+ +: <30,NH2,!~wb,/'(/_,!~wf,OH),!,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:L-Cysteine;MW:121.16;EXA:- -+ +: <30,NH2,!~wb,/!SH,!,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:L-Methionine;MW:149.21;EXA:- -+ +: <30,NH2,!~wb,/'(!2,S,!),!,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:L-Phenylalanine;MW:165.19;EXA:- -+ +: <30,NH2,!~wb,/!Ph,!,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:L-Tyrosine;MW:181.19;EXA:- -+ +: <30,NH2,!~wb,/'(!Ph,-3:/OH),!,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:L-Triptophan;MW:204.21;EXA:- -+ +: <30,NH2,!~wb,!,COOH,@2,\,!,<24,|,?5,{2',5}=dl,2=Ph,4:NH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:L-Proline;MW:115.13;EXA:- -+ +: <18,?5,3:NH,4:*/COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:L-Glutamine;MW:146.15;EXA:- -+ +: <30,NH2,!~wb,!,COOH,@2,\`1,!`1,!,//O,!,NH2 -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:L-Asparagine;MW:132.12;EXA:- -+ +: <30,NH2,!~wb,/'(!,//O,!,NH2),!,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:L-Aspartic acid;MW:133.10;EXA:- -+ +: <30,NH2,!~wb,/!COOH,!,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:L-Glutamic acid;MW:147.13;EXA:- -+ +: <30,NH2,!~wb,/'(!2,COOH),!,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:L-Lysine;MW:146.19;EXA:- -+ +: <30,NH2,!~wb,/'(!4,NH2),!,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:L-Arginine;MW:174.21;EXA:- -+ +: <30,NH2,!~wb,!,COOH,@2,\`1,!`1,!2,NH,!,//NH,!,NH2 -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:L-Hystidine;MW:155.16;EXA:- -+ +: <30,NH2,!~wb,!,COOH,@2,\,!,|,?5,{1,3}=dl,3:N,5:NH -+ +; %============================================================================== Cat:biological;EN:L-DOPA;MW:197.19;EXA:- -+ +: <30,NH2,!~wb,!,COOH,@2,\,!,Ph,{-3,-4}:/OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Ornithine;MW:132.16;EXA:- -+ +: <30,NH2,!~wb,/'(!3,NH2),!,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Citrulline;MW:175.2;EXA:- -+ +: <30,NH2,!~wb,/'(!3,NH,!,//O,!,NH2),!,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:GABA;MW:103.12;EXA:- -+ +: <30,NH2,!4,COOH -+ +; %============================================================================== Cat:biological;EN:Citrate;MW:192.12;EXA:- -+ +: <30,COOH,!,!2`1.2,!,COOH,@-4`1,\,COOH,4:/OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:cis-Aconitate;MW:174.11;EXA:- -+ +: <30,COOH,!2,!!,!,COOH,@-4`1,\,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Isocitrate;MW:192.12;EXA:- -+ +: <30,COOH,!4,COOH,@-3,\`1,COOH,4:/OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Oxalosuccinate;MW:190.11;EXA:- -+ +: <30,COOH,!,!2`1.2,//O,!,COOH,@-4,\`1,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:alfa-Ketoglutarate;MW:146.1;EXA:- -+ +: <30,COOH,!3,//O,!,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Succinate;MW:118.09;EXA:- -+ +: <30,COOH,!3,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Fumarate;MW:116.07;EXA:- -+ +: <30,COOH,!,!!,!,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:L-Malate;MW:132.07;EXA:- -+ +: <30,COOH,!3,COOH,3:/OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Oxaloacetate;MW:132.07;EXA:- -+ +: <30,COOH,!,//O,!2,COOH -+ +; %============================================================================== Cat:biological;EN:Glucose 1;MW:180.16;EXA:1 -+ +: <30,?6,5:O,2:*/OH,{1,3}:/*OH,4:*/*OH,6:*/!OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Glucose 2;MW:180.16;EXA:1 -+ +: <-30,OH,!2,*/OH,!,/*OH,!,/*OH,!,/*OH,!,//O,!,H -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:D-Glucose;MW:180.16;EXA:1 -+ +: hexose_hp,#.5,{1^$-90,2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Fructose 1;MW:180.16;EXA:1 -+ +: <30,OH,!2,/*OH,!,*/OH,!,*/OH,!,//O,!2,OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Fructose 2;MW:180.16;EXA:1 -+ +: <-18,?5,5:O,1^-48:*/*!OH,1^48:/OH,{2',3}:*/OH,4:/*!OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:D-Fluctose;MW:180.16;EXA:1 -+ +: Pyranose_hp,#.5,1^$-90:/OH,{2^$-90,3^$90}:/OH,{1^$90,4^$-90}:/!OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:D-Galactose;MW:180.16;EXA:1 -+ +: hexose_hp,#.5,{1^$90,2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:D-Mannose;MW:180.16;EXA:1 -+ +: hexose_hp,#.5,{1^$-90,2^$90,3^$90,4^$-90}:/OH,6^$90:/!OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:L-Fucose;MW:164.16;EXA:1 -+ +: hexose_hp,#.5,{1^$-90,,2^$-90,3^$90,4^$90}:/OH,6^$-90:/_ -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:D-Ribose;MW:150.13;EXA:1 -+ +: Pyranose_hp,#.5,{2^$-90,3^$-90,4^$90}:/OH,1^$90:/!OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:D-Deoxyribose;MW:134.13;EXA:1 -+ +: Pyranose_hp,#.5,{2^$-90,4^$90}:/OH,1^$90:/!OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:D-Glucosamine;MW:179.17;EXA:1 -+ +: hexose_hp,#.5,{1^$-90,2^$90,4^$-90}:/OH,3^$-90:/NH2,6^$90:/!OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:N-acetyl-Glucosamine;MW:221.21;EXA:1 -+ +: hexose_hp,#.5,{1^$-90,2^$90,4^$-90}:/OH,3^$-90>lr:/NHCO!,6^$90:/!OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Glucuronic acid;MW:194.14;EXA:1 -+ +: hexose_hp,#.5,{1^$-90,2^$90,3^$-90,4^$-90}:/OH,6^$90:/COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Maltose;MW:342.3;EXA:1 -+ +: hexose_hp,#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##, @4,$-50~arc_lb`1,O,$50~arc_br`1,<$0, |,hexose_hp,#.5,{2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Sucrose;MW:342.3;EXA:1 -+ +: hexose_hp,#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##, @4,$-50~arc_lb`1,O,$50~arc_br`1,<$0, |,#1.4,-35~wf_r,35~bd_r`1,30~wb_r,130`1.66,O,&1,##, #.5,{2^$-90,3^$90}:/OH,{1^$90,4^$-90}:/!OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Lactose;MW:342.3;EXA:1 -+ +: hexose_hp,#.5,{1^$90,2^$90,3^$-90}:/OH,6^$90:/!OH,##, @4,$0~arc_ltr,O,$0~arc_lbr, |,hexose_hp,#.5,{2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Cellobiose;MW:342.3;EXA:1 -+ +: hexose_hp,#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##, @4,$0~arc_lbr,O,$0~arc_ltr, |,hexose_hp,#.5,{2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Trehalose;MW:342.3;EXA:1 -+ +: hexose_hp,#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##, @4,@(1,0),|,hexose_hp,#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##, ||,@4,$-37~arc_lb`3.25,O,&10~arc_br -+ +; %============================================================================== Cat:biological;EN:Geraniol;MW:154.25;EXA:1 -+ +: <30,!8,OH,{2,6}=dr,{2,6}:/_ -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Limonene;MW:136.24;EXA:- -+ +: <30,?6,2=dl,2:/_,@5,*\,/_,!! -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:l-Menthol;MW:156.27;EXA:1 -+ +: <30,?6,2:/*?!,5:*/_,3:*/OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Allicin;MW:162.28;EXA:1 -+ +: <-30,!!,!2,SO,!,S,!2,!! -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Benzoic acid;MW:122.12;EXA:- -+ +: <30,Ph,3:/COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Gallic acid;MW:170.12;EXA:- -+ +: <30,Ph,3:/COOH,{1,5,6}:/OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Salicylic acid;MW:138.12;EXA:- -+ +: <30,Ph,3:/COOH,4:/OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Cinnamic acid;MW:148.16;EXA:- -+ +: <30,Ph,@3,\,!!,!,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Cinnamaldehyde;MW:132.16;EXA:- -+ +: <30,Ph,@3,\,!!,!,CHO -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Caffeic acid;MW:180.16;EXA:1 -+ +: <30,Ph,{1,6}:/OH,@3,\,!!,!,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Vanillin;MW:152.15;EXA:1 -+ +: <30,Ph,2:/OH,3:/O!,5:/CHO -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Stearic acid;MW:284.48;EXA:1 -+ +: <30,!17,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Linoleic acid;MW:280.45;EXA:1 -+ +: <30,!5,-30,-30,!,-30,-30,!7,COOH,{6,9}=dr -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Sphingosine;MW:299.50;EXA:1 -+ +: <30,!18,OH,14=dr,-3:*/OH,-2:/*NH2 -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Tocopherol;MW:430.717;EXA:1 -+ +: <30,Ph,3=?6,7:O,{1,2,5}:/_,8:/*_^60,6:/OH,@8,\,|,!12,{4,8}:/*_,12:/_ -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Thiamine;MW:265.35;EXA:1 -+ +: <30,Ph,4:/NH2,@3,\`1,!,<-12,?5,{-1,-4}=dl,{1,5,8}:N,11:S,{6,9}:/_, @-3,\^-12,!2,OH,8:p_^72 -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Riboflavin;MW:376.37;EXA:1 -+ +: <30,Ph,{3,9}=?6,{8,16}=dl,{7,10,14}:N,12:NH,{11,13}://O,{1,6}:/_, @10,\`1.5,!,*/OH,!,/*OH,!,*/OH,!2,OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Nicotinic acid;MW:123.11;EXA:1 -+ +: <30,Ph,2:N,4:/COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Nicotinamide;MW:122.12;EXA:1 -+ +: <30,Ph,2:N,4:/CONH2 -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Pantothenic acid;MW:219.23;EXA:1 -+ +: <30,OH,!8,COOH,3:??,4^35:/*H,4^-20:*/OH,5://O,6:NH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Pyridoxine;MW:169.18;EXA:1 -+ +: <30,Ph,2:N,3:/_,4:/OH,{5,6}:/!OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Biotin;MW:244.31;EXA:1 -+ +: <18,?5,4=?5,2:S,{6,8}:NH,7://O,{4^-54,5^54}:*/H, @3,\*^-12,!4,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Folic acid;MW:441.3975;EXA:1 -+ +: <30,?6,3=Ph2,1=dl,{2,7,10}:N,6:NH,5://O,1:/NH2, @9,\,!,NH,!,Ph,@-3,\,//O,!,NH,!,/*COOH,!3,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Carotene;MW:536.8726;EXA:1 -+ +: <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:?? -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Adrenalin;MW:183.21;EXA:1 -+ +: <30,Ph,{1,6}:/OH,@4,\,*/OH,!2,NH,! -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Caffeine;MW:194.194;EXA:1 -+ +: <30,?6,3=dl,{1,5}://O,-4=?5,-3=dl,7:N,{2,6,9}:N! -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Nicotine;MW:162.23;EXA:1 -+ +: <30,Ph,2:N,@4,\,?5,8:N! -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Capsaicin;MW:305.418;EXA:1 -+ +: <30,Ph,1:/OH,6:/O!,@4,\,!,NH,!,//O,!7,?!,-3=dl -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Gibberellin A3;MW:346.379;EXA:1 -+ +: <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://_,{13,8'}:*/OH,14:*/_,{1,4}:*/H^60 -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Cholesterol;MW:386.664;EXA:1 -+ +: <30,?6,{-4,-2}=?6,-4=?5,7=dl, 1:*/OH,{4,12}:*/_^60,{9'^60,10^180,11^-60,-1^-60}:/*H,@-1,17,/*_,!4,?! -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Resveratrol;MW:228.24;EXA:1 -+ +: <30,Ph,@4,\,!!,!,Ph,{2,6,-3}:/OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Glutathione;MW:307.33;EXA:1 -+ +: <-30,COOH,!,/*NH2,!3,//O,!,NH,!,*/!SH,!,//O,!,NH,!2,COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Trenbolone;MW:270.37;EXA:1 -+ +: <30,?6,{3,10}=?6,13=?5,{2,11,15}=dl,1://O,12:*/_^60,-1:/*OH,{9^60,11'^-60}:*/H -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Luciferin;MW:280.33;EXA:1 -+ +: <30,Ph,3=?5,@8,\,?5,{9,16}=dl,{9,14}:N,{7,11}:S,1:/OH,-2:*/COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Chlorophyll a;MW:893.509;EXA:1 -+ +: <-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}:/_ -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Alizarin;MW:240.21;EXA:1 -+ +: <30,Ph,3=?6,-3=Ph2,{7,10}://O,{13,14}:/OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Indigo;MW:262.26;EXA:1 -+ +: <30,Ph,3=?5,@-2,\\,?5,-3=Ph2,{7,14}:NH,{9,11}://O -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:6,6'-dibromoindigo;MW:420.0549;EXA:1 -+ +: <30,Ph,3=?5,@-2,\\,?5,-3=Ph2,{7,14}:NH,{9,11}://O,{1,-2}:/Br -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Carminic Acid;MW:492.39;EXA:1 -+ +: <30,Ph,3=?6,-3=Ph2,{7,10}://O,{2,5,6,13}:/OH,11:/_,12:/COOH, @1,\~wb`1,?6,-5:O,{-1,-2',-3}:/*OH,-4:*/!OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Curcumin;MW:368.38;EXA:1 -+ +: <30,Ph,@3,\,!7,Ph,{8,13}=dr,{9,11}://O,{6,-3}:/OH,{5,-4}:/O! -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Berberine;MW:336.36;EXA:1 -+ +: <30,Ph,3=Ph,-3=?6,-2=Ph2,-3=?5,8:N,8:p_^60,{-1,-3}:O,{1>vt,2}:/!OH -+ +; %============================================================================== Cat:biological;EN:Apigenin;MW:270.24;EXA:- -+ +: <30,Ph,3=?6,9=dl,10:O,7://O,@9,\,Ph,{2,6,14}:/OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Luteolin;MW:286.24;EXA:- -+ +: <30,Ph,3=?6,9=dl,10:O,7://O,@9,\,Ph,{2,6,14,15}:/OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Flavone;MW:222.24;EXA:1 -+ +: <30,Ph,3=?6,9=dl,10:O,7://O,9:/Ph, -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Isoflavone;MW:222.24;EXA:- -+ +: <30,Ph,3=?6,9=dl,10:O,7://O,8:/Ph, -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Flavanone;MW:224.25;EXA:- -+ +: <30,Ph,3=?6,10:O,7://O,9:/Ph, -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Flavonol;MW:238.24;EXA:1 -+ +: <30,Ph,3=?6,9=dl,10:O,7://O,8:/OH,9:/Ph, -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Cianidanol;MW:290.27;EXA:1 -+ +: <30,Ph,3=?6,@8,*\,Ph,7:O,{1,5,9~zf,13,14}:/OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Quercetin;MW:302.24;EXA:1 -+ +: <30,Ph,3=?6,@9,\,Ph,9=dl,10:O,7://O,{2,6,8,13,14}:/OH -+ +; %============================================================================== Cat:biological;EN:Limonin;MW:470.518;EXA:1 -+ +: <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,{4^60,8'^60}:*/_,18:??,{1^60,5^180,16^60}:/*H, @14,\*,|,?5,{1,4}=dl,3:O -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Cromolyn;MW:468.37;EXA:1 -+ +: <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 -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Emetine;MW:480.649;EXA:1 -+ +: <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! -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Acronycine;MW:321.376;EXA:1 -+ +: <30,Ph,|,-4=?6,1:N!,4://O,-3=Ph2,-1:/O!,|,-4=?6,2=dl,4:O,3:?? -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Piperine;MW:285.343;EXA:1 -+ +: <30,Ph,-1=?5,{-1,-3}:O,@4,\,!!,!,!!,!,//O,!,?6,-6:N -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Febrifugine;MW:301.34;EXA:1 -+ +: <30,Ph,3=?6,@9,8=dl,\,!2,!~zb,?6,{7,9}:N,-5:NH,{10,12}://O,-1:*/OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Hypericin;MW:504.44;EXA:1 -+ +: <30,Ph,{-4,-3,(11,4),(16',17),19,(23',24),(22,29)}=?6, {12,14,16,17,22',24,26,28,33,35}=dl, {7,25}://O,{13,26}:/_, {2,6,11,21,23,28}:/OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Camphor;MW:152.23;EXA:1 -+ +: #1,15,-30,90,90,30,##,&1,@2,0~si_`1.6,&5,{-1^45,-1^-65,5^-45}:/_,4://O -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Sparteine;MW:234.3803;EXA:1 -+ +: <30,?6,3=?6,9=wf,10=wb,@8,#1,60,60,N,60,##,&10,-3=?6,3:N,{4^60,11'^-60}:*/H -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Mitomycine C;MW:334.332;EXA:1 -+ +: <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 -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Podophyllotoxin;MW:414.41;EXA:1 -+ +: <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^-60,12'^60}:*/H -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Warfarin;MW:308.333;EXA:1 -+ +: <30,Ph,3=?6,8=dl,10:O,7:/OH,9://O,@8,\,/Ph`1,60,!,//O,! -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Genistein;MW:270.24;EXA:1 -+ +: <30,Ph,3=?6,9=dl,10:O,{2,6}:/OH,7://O,@8,\,Ph,-3:/OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Baicalein;MW:270.24;EXA:1 -+ +: <30,Ph,3=?6,9=dl,10:O,{1,2,6}:/OH,7://O,@8,\,Ph -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Reserpine;MW:608.688;EXA:1 -+ +: <54,Ph,-4=?5,{-2,-4,-3}=?6,9=dl,11:N,7:NH,{10'^-60,15^-60,16^60}:/*H, @20,*\,O,!,//O,!,Ph,{-2,-3,-4,1,19~zf>rl}:/O!,18:*/COO!>lr -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Rotenone;MW:394.423;EXA:1 -+ +: <-60,?5,{-3,-2,-3,-4}=?6,{3',7,9,17',-2,-4}=dl, {2,13,16}:O,10://O,{11^-60,12^60}:*/H,{-2,-3}:/O!,@1,*\,/_,!! -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Pyrethrin I;MW:328.452;EXA:1 -+ +: <30,?3,{3^35,3'^-35}:*/_,@1,*\,!!,?!, @2,\*,//O,!,O,-36~zb,|,?5,-2=dl,-1:/_,-3://O,@-2,\,!4,{-1,-3}=dl -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Oseltamivir;MW:312.40;EXA:1 -+ +: <30,?6,3=dl,6:*/NH2,@1,\*,NH,!,//O,!,@2,*\,O,!,/!,!2,@4,\,//O,!,O,!2 -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Paclitaxel;MW:853.918;EXA:1 -+ +: ?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>rl,12'^-15>lr}:*/OCO! -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Mevastatin;MW:390.52;EXA:1 -+ +: <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 -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Sesamine;MW:354.35;EXA:1 -+ +: <54,?5,1=?5,{4,7}:O,{1^-54,2^54}:*/H,{5,8}:*/'(Ph,4=?5,7:O,9:O)^-12 -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Morphine;MW:285.343;EXA:1 -+ +: <30,Ph,{2,-4}=?6,(1,12)=?5[2],-1:O,-1=zb, @7,60~wf`0.75,70~si_`1.3,45,N!,&9~wb,15=dl,6:/OH,8^180:*/H,12:/*OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Quinine;MW:324.424;EXA:1 -+ +: <30,Ph,3=Ph,7:N,6:/O!, @10,\,*/OH,/*H^-60,!,|,?6,2:N,1:*/H^60,@4,*\,!!,@2,165~zf,60,&5~zb -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Atoropin;MW:289.375;EXA:1 -+ +: <30,O,!,//O,!2,Ph,@$1,\~zb^-60,|,?7`1.1,@6,*\^190`1.25,N!,&3~wb,$3:/!OH~wv -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Colchicine;MW:399.443;EXA:1 -+ +: <30,Ph,{1,2,6}:/O!,{-4,-5}=?7,{-1,-4,-6}=dl,-2://O,-3:/O!,9:/NHCO! -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Lycorine;MW:287.315;EXA:1 -+ +: <30,Ph,{-4,-2}=?6,{6,(9,12)}=?5,13=dl,8:N,{15,17}:O, {9'^180,10^60}:*/H,{13,14'}:*/OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Ibotenic acid;MW:158.113;EXA:1 -+ +: <18,?5,4=dl,3:O,2:NH,1://O,@4,-24,/NH2,!COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Illudin S;MW:264.3;EXA:1 -+ +: <30,?6,3=?5,6:**?3,{4,7}=dl,2://O,5:/_, {1^35,8^35}:*/_,{1'^-35,9}:*/OH,8:/*!OH^-35 -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Muscarine;MW:174.26;EXA:1 -+ +: <18,?5,2:O,1:*/_,5:/*OH,@3,*\,48,N,??,p_^180,! -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Psilocybin;MW:284.248;EXA:1 -+ +: <30,Ph,3=?5,8=dl,9:NH,@2,\,O,-60,P,//O^-45,/OH^45,90,OH,@7,\,!,-60,N?! -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Tetrodotoxine;MW:319.27;EXA:1 -+ +: #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 -+ + @9,45,-60,OH,1^120://NH,{5~zf^-15,7,9^-75,12,13~zf}:/OH,2:NH,6^180:NH +; %------------------------------------------------------------------------------ Cat:biological;EN:Aflatoxin B1;MW:312.27;EXA:1 -+ +: <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 -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Aflatoxin B2;MW:314.3;EXA:- -+ +: <30,Ph,6=?6,-2=?5,4=?5,-2=?5,10=dl,{7,14,17}:O, 2:/O!,{8,11}://O,{15^-54,16^54}:*/H -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Aflatoxin G1;MW:328.27;EXA:2 -+ +: <30,Ph,6=?6,-2=?6,4=?5,-2=?5,{-2,10}=dl,{7,12,15,18}:O, 2:/O!,{8,11}://O,{16^-54,17^54}:*/H -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Aflatoxin G2;MW:330.29;EXA:- -+ +: <30,Ph,6=?6,-2=?6,4=?5,-2=?5,10=dl,{7,12,15,18}:O, 2:/O!,{8,11}://O,{16^-54,17^54}:*/H -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Aflatoxin M1;MW:328.3;EXA:- -+ +: <30,Ph,6=?6,-2=?5,4=?5,-2=?5,{-2,10}=dl,{7,14,17}:O, 2:/O!,{8,11}://O,15^-54:*/H,16^54:*/OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Aflatoxin M2;MW:330.29;EXA:- -+ +: <30,Ph,6=?6,-2=?5,4=?5,-2=?5,10=dl,{7,14,17}:O, 2:/O!,{8,11}://O,15^-54:*/H,16^54:*/OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Ochratoxin A;MW:403.813;EXA:1 -+ +: <30,Ph,@4,\,!,/*COOH,!`1.2,NH,!`1.2,//O,!, Ph,-2:/Cl,-5:/OH,-4=?6,-3:O,-2:*/_,-4://O -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Deoxynivalenol;MW:296.32;EXA:1 -+ +: <30,?6,3=?6,5=dl,1://O,6:/_,-1:O,{4'^60,-2}:*/H,7^30:*/_,@7,72`.9,80`1.3,&9, @8,?3,-3=wf_,-1=si_,-1:O,{2,12^18}:/*OH,3:/*!OH^-60`1 -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Patulin;MW:154.12;EXA:1 -+ +: <30,?6,3=?5,{2,10}=dl,{6,7}:O,5:/OH,8://O -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Citrinin;MW:250.247;EXA:1 -+ +: <30,?6,3=?6,{2,5,11}=dl,9:O,1://O,2:/_,{7,8'}:*/_,5:/OH,6:/COOH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Zearalenone;MW:318.364;EXA:1 -+ +: <30,Ph,@3,#1,\,!5,60,60,!4,&4,##,{1,5,8}=dl,17:O,16:*/_,{1,5}:/OH,{12,18}://O -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Fumonisin B1;MW:721.83;EXA:1 -+ +: <30,!19,@6,*\,O,!,//O,!2,/COOH,!2,COOH,@7,\*`1.2,O,!,//O,!2,/COOH,!2,COOH, {5,9}:/*_,{11,16,18'}:*/OH,19:/*NH2 -+ +; %============================================================================== Cat:synthetic;EN:Benzene;MW:78.11;EXA:- -+ +: <30,Ph -+ +; %------------------------------------------------------------------------------ Cat:synthetic;EN:Phenol;MW:94.11;EXA:- -+ +: <30,Ph,3:/OH -+ +; %------------------------------------------------------------------------------ Cat:synthetic;EN:Aniline;MW:93.13;EXA:- -+ +: <30,Ph,3:/NH2 -+ +; %------------------------------------------------------------------------------ Cat:synthetic;EN:Picric acid;MW:229.10;EXA:- -+ +: <30,Ph,{1,3,5}:/NO2,2:/OH -+ +; %------------------------------------------------------------------------------ Cat:synthetic;EN:Hexaphenylbenzene;MW:534.6876;EXA:1 -+ +: <30,Ph,{1,2,3,4,5,6}:/Ph -+ +; %============================================================================== Cat:synthetic;EN:Naphthalene;MW:128.17;EXA:- -+ +: <30,Ph,3=Ph -+ +; %------------------------------------------------------------------------------ Cat:synthetic;EN:Anthracene;MW:178.23;EXA:- -+ +: <30,Ph,{3,6}=Ph -+ +; %------------------------------------------------------------------------------ Cat:synthetic;EN:Phenanthrene;MW:178.23;EXA:- -+ +: <30,Ph,{4,6}=Ph -+ +; %------------------------------------------------------------------------------ Cat:synthetic;EN:Naphthacene;MW:228.3;EXA:- -+ +: <30,Ph,{6,3,-3}=Ph -+ +; %------------------------------------------------------------------------------ Cat:synthetic;EN:Chrysene;MW:228.3;EXA:- -+ +: <30,Ph2,{6,4,-4}=Ph -+ +; %------------------------------------------------------------------------------ Cat:synthetic;EN:Pyrene;MW:202.25;EXA:- -+ +: <30,Ph2,{6,4}=Ph,(16,7)=?6[3],-2=dl -+ +; %------------------------------------------------------------------------------ Cat:synthetic;EN:Coronene;MW:300.35;EXA:1 -+ +: <30,Ph,{1,(11,2),(15,3),(19,4),(23,5),(27',7)}=?6, {9,12,14,17,20,22,25,28,30}=dl -+ +; %------------------------------------------------------------------------------ Cat:synthetic;EN:Kekulene;MW:600.7;EXA:1 -+ +: <30,?6,{3,-3,-2,-3,-2,-3,-2,-3,-2,-3,(-2',5'),(5',-4')}=?6, {1,5',7,9,11,13,17,19,21,23,27,29,31,33,37,39,41,43,47,49,51,53,57,60}=dl -+ +; %============================================================================== Cat:synthetic;EN:12-Crown-4;MW:176.21;EXA:- -+ +: <-180,O,30,60,60,O,-30,60,60,O,-30,60,60,O,-30,60,&1 -+ +; %------------------------------------------------------------------------------ Cat:synthetic;EN:15-Crown-5;MW:220.26;EXA:2 -+ +: <-180,O,48,60,60,O,-48,60,60,O,-48,60,60,O,-48,60,60,O,-48,60,&1 -+ +; %------------------------------------------------------------------------------ Cat:synthetic;EN:18-Crown-6;MW:264.32;EXA:1 -+ +: <-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 -+ +; %============================================================================== Cat:synthetic;EN:Porphyrin;MW:310.4;EXA:1 -+ +: <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 -+ +; %------------------------------------------------------------------------------ Cat:synthetic;EN:Sulflower;MW:448.69;EXA:1 -+ +: <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 -+ +; %------------------------------------------------------------------------------ Cat:synthetic;EN:Arsphenamine x5;MW:915.2;EXA:1 -+ +: <18,?5,{1,2,3,4,5}:As,{1,2,3,4,5}:/'(Ph,3:/NH2,4:/OH) -+ +; %------------------------------------------------------------------------------ Cat:synthetic;EN:Melamine;MW:126.12;EXA:1 -+ +: <30,Ph,{2,4,6}:N,{1,3,5}:/NH2 -+ +; %============================================================================== Cat:synthetic;EN:Tartrazine;MW:534.3;EXA:1 -+ +: <30,Ph,1:/SO3Na,@4,\,N,!!,N,!,<-12,?5,{-2,-5}=dl,{-2,-3}:N,-1:/COONa,-4:/OH, @-3,-12,Ph,-3:/SO3Na -+ +; %------------------------------------------------------------------------------ Cat:synthetic;EN:Erythrosine;MW:835.9;EXA:1 -+ +: <30,Ph,{3,9}=?6,{8,13,16}=dl,10:O,-2://O,{1,5,12,14}:/I,@7,\,Ph,-1:/COOH,6:/OH -+ +; %------------------------------------------------------------------------------ Cat:synthetic;EN:Sudan red 1;MW:248.28;EXA:1 -+ +: <30,Ph,1=Ph,4:/OH,@3,\,N,!!,N,!,Ph -+ +; %------------------------------------------------------------------------------ Cat:synthetic;EN:Basic blue 1;MW:319.86;EXA: -+ +: <30,Ph,3=Ph,6=Ph,2:S,5:N,{8,13}:/N?!,2:p_,@2,@(3.5,1.5),Cl,n_^15 -+ +; %------------------------------------------------------------------------------ Cat:synthetic;EN:Disperse violet 1;MW:238.25;EXA:1 -+ +: <30,Ph,3=?6,-3=dr,9=Ph,{7,10}://O,{-1,-4}:/NH2 -+ +; %------------------------------------------------------------------------------ Cat:synthetic;EN:Vat blue 1;MW:262.27;EXA:1 -+ +: <30,Ph,3=?5,@8,\\,?5,-3=dr,-3=Ph,{7,14}:NH,{9,11}://O -+ +; %============================================================================== Cat:antibiotics;EN:Amoxicillin;MW:365.4042;EXA:1 -+ +: <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 -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Ampicillin;MW:349.405;EXA:1 -+ +: <45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??, @4,*\^15,NH,!,//O,!,/*NH2,!,Ph -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Penicillin G;MW:334.4;EXA:1 -+ +: <45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??, @4,*\^15,NH,!,//O,!2,Ph -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Penicillin V;MW:350.3895;EXA:1 -+ +: <45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??, @4,*\^15,NH,!,//O,!2,O,!,Ph -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Mecillinam;MW:325.4264;EXA:1 -+ +: <45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??, @4,*\^15,N,!!,!,?7,-7:N -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Nafcillin;MW:414.4748;EXA:1 -+ +: <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 -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Oxacillin;MW:401.4363;EXA:1 -+ +: <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 -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Cloxacillin;MW:435.8813;EXA:1 -+ +: <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 -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Dicloxacillin;MW:470.3264;EXA:1 -+ +: <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 -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Cefalexin;MW:347.3889;EXA:1 -+ +: <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 -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Cefalonium;MW:458.5107;EXA:1 -+ +: <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 -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Cefazorin;MW:454.51;EXA:1 -+ +: <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 -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Cefoperazone;MW:645.67;EXA:1 -+ +: <45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH, @4,*\^15,NH,!,//O,!2,NH,!,//O,!,?6,{-3,-6}:N,{-4,-5}://O,-3:/!, @6,\,!,S,!,?5,{-3,-5}=dl,-1:/_,{-1,-2,-3,-4}:N, @11,\*,Ph,-3:/OH -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Cefquinome;MW:528.6;EXA:1 -+ +: <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 -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Ceftiofur;MW:523.5626;EXA:- -+ +: <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 -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Cefuroxime;MW:424.3852;EXA:1 -+ +: <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 -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Apramycin;MW:539.58;EXA:1 -+ +: <30,?6,-4=?6,{2,10}:O,@1,\*,O,60~zb,?6,@9,\*,O,-60~zb,?6,-5:O, {7,13,14',-1',-2}:*/OH,{6',15,17,-3'}:*/NH2,8:*/NH!^-20, -4:*/!OH,{3'^-60,4^60}:*/H -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Gentamycin;MW:477.596;EXA:1 -+ +: <-30,?6,@1,\*,O,0~zb,?6,-5:O,@5,\*,O,0~zb,?6,-5:O,{2,4,20'}:*/NH2,6:*/OH, 11:*/OH^-35,11:/*_^35,12:*/NH!,13:/*OH,17:/'(*/_,!NH!) -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Kanamycin;MW:484.499;EXA:1 -+ +: <-30,?6,@1,\*,O,0~zb,?6,-5:O,@5,\,O,0,?6,-5:O, {2,4,12}:*/NH2,{6',11,13,18,19',20}:/*OH,10:*/!OH,17:*/!NH2 -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Neomycin;MW:614.644;EXA:1 -+ +: <30,?6,3:O,2:/*!NH2,{1,6'}:*/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,-3'}:*/OH,-4:/*!NH2>60 -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Streptmycin;MW:581.574;EXA:1 -+ -<54,?5,3:O,4:/*_,5:/OH^35,@1,\*,O,-24~wb,?6,-5:O,@2,*\,O,24~zb,?6, +: +<54,?5,3:O,4:/*_,5:/OH^45,@1,\*,O,-24~wb,?6,-5:O,@2,*\,O,24~zb,?6, @5,-48,!!,O,{10,11',15,16',18'}:*/OH,9:/*!OH,12:*/NH!, @17,*\^-18,NH,!,//NH,!,NH2,@19,*\,NH,!,//NH,!,NH2 -+ +; +%------------------------------------------------------------------------------ +Cat:antibiotics;EN:Streptmycin_H2O;MW:599.574;EXA:- +: +<54,?5,3:O,4:/*_,5:/OH^60,@1,\*,O,-24~wb,?6,-5:O,@2,*\,O,24~zb,?6, + @5,-18,/OH^15,45,OH,{10,11',15,16',18'}:*/OH,9:/*!OH,12:*/NH!, + @17,*\^-18,NH,!,//NH,!,NH2,@19,*\,NH,!,//NH,!,NH2 +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:dihydro-Streptmycin;MW:583.574;EXA:1 -+ +: <54,?5,3:O,4:/*_,5:/!OH^-48,5:/*OH^35,@1,\*,O,-24~wb,?6,-5:O,@2,*\,O,24~zb,?6, {10,11',15,16',18'}:*/OH,9:/*!OH,12:*/NH!, @17,*\^-18,NH,!,//NH,!,NH2,@19,*\,NH,!,//NH,!,NH2 -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Spectinomycin;MW:332.35;EXA:1 -+ +: <30,?6,{3,9}=?6,7=zf,11=wb,{7,10,14}:O,9^60:*/H,11://O,{1,5',8^-60}:*/OH, 13:/*_,{2,6}:*/NH! -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Tobramycin;MW:467.51;EXA:1 -+ +: <-30,?6,@1,\*,O,0~zb,?6,-5:O,@5,\,O,0,?6,-5:O, {2,4,12,20'}:*/NH2,{6',11,13,18}:/*OH,10:*/!OH,17:*/!NH2 -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Spiramycin;MW:843.1;EXA: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,#.5,-3:/*N?!,-4:*/_,##, @7,\*,O,0~wb,?6`.7,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:*/_,##, @-3,\*`1,O,60~wb,?6`.7,-5:O,#.5,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_,##, @8,\*,!,!!,O -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Neospiramycin;MW:698.9;EXA: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,#.5,-3:/*N?!,-4:*/_,##, @7,\*,O,0~wb,?6`.7,-5:O,#.5,-2:*/N?!,-4:*/_,{-1,-3}:/*OH,##, @8,\*,!,!!,O -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Josamycin;MW:827.995;EXA: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:/*_,3://O,10:/*_,6:/*O!>vt,-6:/*OH, @5,\*^-25,O,!,//O,!, @@ -1131,1684 +1156,1684 @@ Cat:antibiotics;EN:Josamycin;MW:827.995;EXA:1 @-3,\*`1,O,60~wb,?6`.7,-5:O,#.5,-2^35:*/OH,{-2^-35,-4}:/*_,##, @-3,*\,O,60,//O,60,-60,/_,!, @8,\*,!,!!,O -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Leucomycin A5;MW:771.942;EXA: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:/*_,3://O,10:/*_,6:/*O!>vt,-6:/*OH,5:/*OH, @7,\*,O,0~wb,?6`.7,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:*/_,##, @-3,\*`1,O,60~wb,?6`.7,-5:O,#.5,-2^35:*/OH,{-2^-35,-4}:/*_,##, @-3,*\,O,60,//O,60,-60,60, @8,\*,!,!!,O -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Erythromycin;MW:733.93;EXA:1 -+ +: <30,#1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,##,&1, 14:O,13:/*Et,{1,9}://O,{2',4,6^-35,8,10',12^35}:/*_, {6^35,11,12^-35}:*/OH, @$3,\*,O,30~zb,|,?6`.7,6:O,#.5,{5~wf,3^35}:/_,4:/*OH,3^-35:/*O!,##, @$5,\*^30`1.7,O,!~zb,|,?6`.7,6:O,#.5,5:/*_,2:*/OH,3:/*N?! -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Emamectine;MW:886.133;EXA:1 -+ +: <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, {-1,-3,-7}=dl,(-11,-10)=?6,@-2,?6,-6=wf,-1=zb,-5=dl, {-1,-6}:O,-3:*/_,@-2,\,*/_,!2, 17:/_,19:/*_,@18,\,O,!,?6`.7,-1:O,#.5,-2:*/_,-4:*/O!,##, @-3,\,O,60,?6`.7,-5:O,#.5,-4:*/_,-3:/*NH!,-2:*/O! -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Spinosad;MW:731.968;EXA:2 -+ +: <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,-2'^-60}:*/H,-2=?5,2:O,{3^25,7^-25}://O,1:*/!, @-2,\*,O,66~zb,?6`.7,-1:O,#.5,-2:*/_,{-3',-4,-5}:*/O!,8:*/_,5^-65:*/H,##, @9,\*,O,!~zb,|,?6`.7,6:O,#.5,5:/*_,4:*/N?! -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Natamycin;MW:665.733;EXA:1 -+ +: <-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, {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,*\^15,O,90,?6`.7,-1:O,#.5,{-3,-5'}:*/OH,-4:/*NH2,-2:/*_ -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Tylocin;MW:916.10;EXA: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:/*!,5:/*OH,3://O,10:/*_,6:/*_,-6://O,-3:/_, @-1,*\,-60,O,0~wb,?6`.7,-5:O,#.5,-3:/*OH,-4:*/_,{-1,-2}:/*O!,##, @7,\*,O,0~wb,?6`.7,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:*/_,##, @-3,\*`1,O,60~wb,?6`.7,-5:O,#.5,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_,##, @8,\*,!,!!,O -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Tilmicosin;MW:869.133;EXA: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:/*!,5:/*OH,{3,11}://O,{6,10}:/*_,14:/_, @-1,*\,-60,O,0~zb,?6`.7,-5:O,#.5,{-1,-2}:*/O!,-3:*/OH,-4:/*_,##, @7,\*,O,0,?6`.7,-5:O,#.5,-2:*/N?!,{-1,-3}:/*OH,-4:*/_,##, @8,\*,!2,?6`.7,-6:N,#.5,{-2,-4}:*/_ -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Mirosamicin;MW:727.8791;EXA:1 -+ +: <-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##, @8,\*,O,0,?6`.7,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:*/_,##, {5,13}=dl,15=?3,-2=wf,-1=wb,-1:O,3:O,2:/*!,{4,12}://O,{7,9,11'}:*/_,1:/*OH^-80, @1,*\,!,O,!~wb,?6`.7,-5:O,#.5,-3:/*OH,-4:*/_,{-1,-2}:/O! -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Chlortetracyclin;MW:478.88;EXA:1 -+ +: <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 -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Oxytetracyclin;MW:460.434;EXA:1 -+ +: <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 -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Tetracyclin;MW:444.435;EXA:1 -+ +: <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 -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Doxycyclin;MW:444.43;EXA:1 -+ +: <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 -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Tiamulin;MW:493.74;EXA:1 -+ +: <-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 -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Rifampicin;MW:822.94;EXA:1 -+ +: <30,Ph,6:/_^30,5:/OH,-6=?5,-3:O,-8=?6,{-2,-4}=dl,{-1,-4}:/OH, #1,@-2,\,NH,60,-60,60~dl,60,60~dl,-60, 60,-60,60,60,-60,60,-53,66,-53~dl,66`1.2,O,##,&$8, ||,{9,15}://O,16:/_,{20,24^30}:*/_,{21,23}:/*OH,{8^60,22,26^30}:/*_, -4:/*O!,@-6,-30,O,!,//O,!,@$11,\,!!,N,!,|,?6,1:N,4:N! -+ +; %============================================================================== Cat:pesticide;EN:BHC;MW:290.83;EXA:- -+ +: <30,?6,{1,2',3,4,5',6}:*/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:pp-DDT;MW:354.49;EXA:- -+ +: <30,Ph,6:/Cl,@3,\,/CCl3,!,Ph,-3:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:op-DDT;MW:354.49;EXA:- -+ +: <30,Ph,4:/Cl,@3,\,/CCl3,!,Ph,-3:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:pp-DDD;MW:320;EXA:- -+ +: <30,Ph,6:/Cl,@3,\,/CCl2,!,Ph,-3:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:pp-DDE;MW:318;EXA:- -+ +: <30,Ph,6:/Cl,@3,\,//CCl2,!,Ph,-3:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:EPN;MW:323.303;EXA:- -+ +: <30,!2,O,!,P,//S,/Ph^170,!,O,!,Ph,-3:/NO2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:XMC;MW:179.2;EXA:- -+ +: <30,Ph,{1,5}:/_,@3,\,O,!,//O,!,NH,! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Acrinathrin;MW:541.45;EXA:- -+ +: <-30,?3,{2^-35,2'^35}:*/_, @1,\,!~dl,!,//O,!,O,!,/CF3,!,CF3,@3,\,//O,!,O,!,/CN,!,Ph,-4:/OPh>rl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Azaconazole;MW:300.139;EXA:- -+ +: <30,Ph,{4,6}:/Cl,@3,\,!2,?5,{-2,-4}=dl,{-2,-4,-5}:N,@7,?5,{-1,-4}:O -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Acetochlor;MW:269.769;EXA:- -+ +: <30,Ph,2:/_,4:/!,@3,\,N,!2,O,!2,@7,\,//O,!2,Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Atrazine;MW:215.7;EXA:- -+ +: <30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2,@3,\,NH,!?! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Anilofos;MW:367.9;EXA:- -+ +: <-30,!,O,!,P,//S,/O!^160,!,S,!2,//O,!,N,/?!,!,Ph,-3:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Alachrol;MW:269.8;EXA:- -+ +: <-30,!,O,!2,N,!,//O,!2,Cl,@4,\,|,Ph,{2,6}:/! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Isazofos;MW:313.74;EXA:- -+ +: <30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,?5,{2,5}=dl,{2,4,5}:N,4:/Cl,3:/?! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Isoprcarb;MW:193.246;EXA:- -+ +: <30,Ph,2:/?!,@3,\,O,!,//O,!,NH,! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Isoprothiolane;MW:290.4;EXA:- -+ +: <30,!?!,O,!,//O,!2,//O,!,O,!?!,@5,\\,|,?5,{2,5}:S -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Iprobenfos;MW:288.34;EXA:- -+ +: <30,!?!,O,!,P,//O,/O!?!^170,!,S,!2,Ph -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Uninnazole-P;MW:291.779;EXA:- -+ +: <30,Ph,6:/Cl,@3,\,!~dl,!,/OH,!,??!,@8,\,|,?5,{2,4}=dl,{1,2,4}:N -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Esprocarb;MW:265.4;EXA:- -+ +: <30,Ph,@3,\,!,S,!,//O,!,N,/!,!,/?!,! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Ethalfluralin;MW:333.3;EXA:- -+ +: <30,Ph,{1,3}:/NO2,5:/CF3,@2,\`1.1,/!,N,!2,/_,!! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Ethion;MW:384.46;EXA:- -+ +: <30,!2,O,!,P,//S,/O!2^160>rl,!,S,!2,S,!,P,//S,/O!2^200>lr,!,O,!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Edifenphos;MW:310.37;EXA:- -+ +: <30,Ph,@3,\,O,!,P,//S,/O!2>rl^160,!,S,!,Ph -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Ethofenprox;MW:376.5;EXA:- -+ +: <30,Ph,@5,\,O,!,Ph,@10,\,O,!3,??,!,Ph,-3:/O!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Ethoprophos;MW:242.33;EXA:- -+ +: <-30,!3,S,!,P,//O,/S!3^160>rl,!,O,!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Ethrimfos;MW:292.29;EXA:- -+ +: <-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,{2,4}:N,5:/!,3:/O!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Endrin;MW:380.91;EXA:- -+ +: <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 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Oxadiazon;MW:345.2;EXA:- -+ +: <30,Ph,{4,6}:/Cl,1:/O!?!,@3,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Oxadixyl;MW:278.3;EXA:- -+ +: <30,Ph,{2,4}:/_,@3,\,N,!1,//O,!2,O,!,@7,\,|,?5,1:N,2:O,5://O -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Oxyfluorfen;MW:361.701;EXA:- -+ +: <30,Ph,6:/CF3,4:/Cl,@3,\,O,!,Ph,-3:/NO2,@-4,\,O,!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Cadusafos;MW:270.386;EXA:- -+ +: <-30,!2,?!,S,!,P,//O,/O!2^160>rl,!,S,!?,!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Cafenstrole;MW:350.4;EXA:- -+ +: <30,Ph,{2,4,6}:/_,@3,\,SOO,!,|,?5,{2,5}=dl,{2,4,5}:N,@-2,\,//O,!,N,/!,!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Carfentrazone-ethyl;MW:412.19;EXA:- -+ +: <30,Ph,4:/F,6:/Cl,@1,\,!,/Cl,!,//O,!,O,!2, @3,\,|,?5,4=dl,{1,3,5}:N,-4://O,-3:/CF2,-2:/_ -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Carboxin;MW:235.301;EXA:- -+ +: <30,?6,3=dl,2:S,5:O,4:/_,@3,\,//O,!,NH,!,Ph -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Quinalphos;MW:298.30;EXA:- -+ +: <30,!,O,!2,P,//S,/O!2^160>rl,!,O,!,|,Ph,3=Ph,{2,5}:N -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Quinoxyfen;MW:308.13;EXA:- -+ +: <30,Ph,4=Ph,10:N,{2,6}:/Cl,@7,\,O,!,|,Ph,4:/F -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Quitozene;MW:295.3;EXA:- -+ +: <30,Ph,{1,2,3,4,6}:/Cl,5:/NO2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Kresoxim-Methyl;MW:313.348;EXA:- -+ +: <30,Ph,@3,\,/COO!,!!,N,!,O,!,@4,\,!,O,!,Ph,-1:/_ -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Clomazone;MW:239.7;EXA:- -+ +: <30,Ph,2:/Cl,@3,\,!,|,?5,1:N,2:O,-2:??,-1://O -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Chlorpyrifos;MW:350.59;EXA:- -+ +: <30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,Ph,6:N,{2,4,5}:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Chlorpyrifos-methyl;MW:322.53;EXA:- -+ +: <-30,!,O,!,P,//S,/O!^160>rl,!,O,!,|,Ph,6:N,{2,4,5}:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Chlorfenapyr;MW:407.62;EXA:- -+ +: <18,?5,3=dl,5=dl,2:N,4:/CN,5:/Br,1:/CF3,@2,\,!,O,!2,@3,\,Ph,-3:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Chlorfenson;MW:303.153;EXA:- -+ +: <30,Ph,@3,\,O,!,SOO,!,Ph,{6,12}:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Chlorfenvinphos;MW:359.58;EXA:- -+ +: <30,!2,O,!,P,//O,/O!2^160>rl,!,O,!,!!,!,Cl,@6,\`1,|,Ph,{2,4}:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Chlorpropham;MW:213.7;EXA:- -+ +: <30,Ph,6:/Cl,@4,\,NH,!,//O,!,O,!?! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Chlorbenside;MW:269.183;EXA:- -+ +: <30,Ph,@3,\,S,!2,Ph,{6,12}:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Chlorobenzilate;MW:325.2;EXA:- -+ +: <30,Ph,@3,\,/OH^-35,/COO!2^30>lr,!,Ph,{6,11}:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Chlorantraniliprole;MW:483.15;EXA:- -+ +: <30,Ph,@5,\,//O,60,NH,!,@4,\,NH,!,//O,!,<24,?5,{-1,-3}=db,{-3,-4}:N,-2:/Br, @-4,24,Ph,-5:N,-1:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Azoxystrobin;MW:403.4;EXA:- -+ +: <30,Ph,2:/OH,@3,\,O,!,Ph,{-1,-3}:N,@-4,\,O,!,Ph,@-5,\,/O!,!,//O,!,O! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Thiuram;MW:240.43;EXA:- -+ +: <30,!,N!,!,//S,!,S,!,S,!,//S,!,N!,! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Probenazole;MW:223.25;EXA:- -+ +: <12,Ph,3=?5,9=dl,7:S,8:N,{7^35,7^-35}://O,@9,\,O,!2,!! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Penflufen;MW:317.41;EXA:- -+ +: <30,Ph,@3,\,NH,!,//O,!,?5,{-1,-4}=db,{-2,-3}:N,{-2,-4}:/_,-1:/F,@4,\,/_,60,!?! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:MCPA;MW:200.62;EXA:- -+ +: <30,Ph,1:/Cl,5:/_,@4,\,O,!2,COOH -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Asulam;MW:230.2;EXA:- -+ +: <30,Ph,@3,\,SOO,!,NH,!,//O,!,O! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Imazasulfuron;MW:412.81;EXA:- -+ +: <-11.8,?6,3=?5,{1,5,7,9}=db,-3:N,8:/Cl, @-1,\,SOO,!,NH,!,//O,!,NH,!,Ph,{-1,-5}:N,{-3,-5}:/O! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Triaziflam;MW:333.4;EXA:- -+, +:, <30,Ph,{2,6}:/_,@4,\,O,!2,?!,NH,!,Ph,{-1,-3,-5}:N,-2:/NH2,@-4,\,??,!,F -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Trichlopyr;MW:256.47;EXA:- -+, +:, <30,Ph,2:N,{1,4,6}:/Cl,@3,\,O,!2,COOH -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Halosulfuron-methyl;MW:434.82;EXA:- -+, +:, <6,?5,{3,5}=db,{1,2}:N,5:/Cl,@3,\,SOO,!,NH,!,//O,!,NH,!,Ph,@4,\,//O,!,O,! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Flupoxam;MW:460.8;EXA:2 -+ +: <30,Ph,4:/Cl,@1,\,?5,{-2,-4}=db,{-2,-4,-5}:N,-1:/Ph,@-3,\,//O,!,NH2, @3,\,!,O,!,/F^35,/F^-35,!,CF3 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Cyanazine;MW:240.7;EXA:- -+ +: <30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2,@3,\,NH,!,??,!,CN -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Cyanophos;MW:243.22;EXA:- -+ +: <-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,4:/CN -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Diethofencarb;MW:267.3;EXA:- -+ +: <30,Ph,@4,\,NH,!,//O,!,O,!?!,{1,6}:/O!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Dichlofenthion;MW:315.2;EXA:- -+ +: <30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,Ph,{2,4}:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Diclofop-methyl;MW:341.2;EXA:- -+ +: <30,Ph,{4,6}:/Cl,@3,\,O,!,Ph,@-4,\,O,!?!,COO! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Cyhalothrin;MW:449.86;EXA:- -+ +: <-30,?3,{2^-35,2'^35}:*/_,@1,\,!~dl,/CF3,!,Cl, @3,\,//O,!,O,!,/CN,!,Ph,-4:/OPh>rl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Cyhalofop-Buthyl;MW:357.381;EXA:- -+ +: <30,Ph,1:/CN,4:/F,@3,\,O,!,|,Ph,@-3,\,O,!?!,//O,!,O,!4 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Diphenamid;MW:239.3;EXA:- -+ +: <30,Ph,@3,\,!,Ph,@-5,\,//O,!,N,?! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Cyfluthrin;MW:434.3;EXA:- -+ +: <-30,?3,{2^-35,2'^35}:*/_, @1,\,!~dl,/Cl,!,Cl,@3,\,//O,!,O,!,/CN,!,Ph,-3:/F,-4:/OPh>rl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Diflufenican;MW:394.29;EXA:- -+ +: <30,Ph,{1,5}:/F,@4,\,NH,!,//O,!,Ph,6:N,@-5,\,O,!,Ph,-3:/CF3 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Cyproconazole;MW:291.8;EXA:- -+ +: <30,?3,@2,\,?!,/OH^30,-90,!,|,<-18,?5,{2,4}=dl,{1,3,5}:N,@$5,-30,Ph,-3:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Cypermethrin;MW:416.3;EXA:- -+ +: <-30,?3,{2^-35,2'^35}:*/_, @1,\,!~dl,/Cl,!,Cl,@3,\,//O,!,O,!,/CN,!,Ph,-4:/OPh>rl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Simazine;MW:201.7;EXA:- -+ +: <30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2,3:/NH!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Dimethametryn;MW:255.4;EXA:- -+ +: <30,Ph,{2,4,6}:N,5:/S!,1:/NH!2,@3,\,NH,!?!,?! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Dimethylvinphos;MW:331.52;EXA:- -+ +: <-30,!,O,!,P,//O,/O!^160,!,O,!,!~dl,!,Cl,@5,\`1,Ph,{-5,-3}:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Dimethenamid;MW:275.8;EXA:- -+ +: <-6,?5,{3,5}=dl,2:S,{3,5}:/_,@4,\,N,!,//O,!2,Cl,@6,\,?!2,O,! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Dimethoate;MW:229.25;EXA:- -+ +: <-30,!,O,!,P,//S,/O!^160,!,S,!2,//O,!,NH,! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Simetryn;MW:213.3;EXA:- -+ +: <30,Ph,{2,4,6}:N,5:/S!,{1,3}:/NH!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Dimepiperate;MW:263.4;EXA:- -+ +: <30,Ph,@3,\,??,!,S,!,//O,!,|,?6,1:N -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Diazinon;MW:304.35;EXA:- -+ +: <30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,Ph,{4,6}:N,5:/_,3:/?! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Thiobencarb;MW:257.776;EXA:- -+ +: <30,Ph,1:/Cl,@4,\,!,S,!,//O,!,N,/!,!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Thiometon;MW:246.34;EXA:- -+ +: <-30,!,O,!,P,//S,/O!^160,!,S,!3,S,!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Thifluzamide;MW:528.08;EXA:- -+ +: <-12,?5,{3,5}=dl,2:S,5:N,3:/CF3,1:/_, @4,\,//O,!,NH,!,<6,|,Ph,{2,6}:/Br,@-3,\,O,!,CF3 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Dieldrin;MW:380.895;EXA:- -+ +: <30,?6`1.2,3=?6,6=dl,9=?3,-1:O,@2,148~wf`1.4,&5~wb, @7,*\^145`1.3,&10~zb,{1,2,5,6,12^-210,12^-150}:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Aldrin;MW:364.908;EXA:- -+ +: <30,?6`1.3,3=?6,{6,9}=dl, @2,210~wf`1.5,&5~wb,@7,210~zf`1.5,&10~zb,{1,2,5,6,11^-210,11^-150}:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Tecnazene;MW:260.879;EXA:- -+ +: <30,Ph,{1,3,4,6}:/Cl,5:/NO2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Tetrachlorvinfos;MW:365.97;EXA:- -+ +: <-30,!,O,!,P,//O,/O!^160,!,O,!,!!,!,Cl,@5,\`1,|,Ph,{2,4,5}:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Tetraconazole;MW:372.14;EXA:- -+ +: <-6,?5,{2,5}=dl,{1,2,4}:N,@4,\,!3,O,!,/F^35,/F^-35,!,CF2,@7,\,|,Ph,{4,6}:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Tetradifon;MW:356.038;EXA:- -+ +: <30,Ph,@3,\,SOO,!,Ph,{6,10,11,13}:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Thenylchlor;MW:323.835;EXA:- -+ +: <6,?5,{2,5}=dl,4:S,2:/O!,@3,\,!,N,!,//O,!2,Cl,@7,-15,Ph,{-1,-5}:/_ -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Tebuconazole;MW:307.8;EXA:- -+ +: <36,?5,{1,4}=dl,{1,3,5}:N,@3,30,!4,Ph,-3:/Cl,7^-30:/??!,7^30:/OH -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Tebufenpyrad;MW:333.86;EXA:- -+ +: <6,?5,{3,5}=dl,{1,2}:N,4:/Cl,5:/!,2:/_,@3,\,//O,!,NH,!2,Ph,-3:/??! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Tefluthrin;MW:418.736;EXA:- -+ +: <-30,?3,{2^-35,2'^35}:*/_,@1,\,!!,/CF3,!,Cl, @3,\,//O,!,O,!2,|,Ph,{2,3,5,6}:/F,4:/_ -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Terbutryn;MW:241.4;EXA:- -+ +: <30,Ph,{2,4,6}:N,5:/S!,1:/NH!2,@3,\,NH,!,??! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Terbufos;MW:288.42;EXA:- -+ +: <30,!2,O,!,P,//S,/O!2^160>rl,!,S,!2,S,!,??! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Triadimefon;MW:293.8;EXA:- -+ +: <30,Ph,6:/Cl,@3,\,O,!2,//O,!,??!,@8,\,|,?5,{2,4}=dl,{1,2,4}:N -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Triazophos;MW:313.31;EXA:- -+ +: <30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,<-12,|,?5,{2,5}=dl,{2,4,5}:N,4:/Ph -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Triallate;MW:304.7;EXA:- -+ +: <-30,!?!,N,/?!,!,//O,!,S,!2,/Cl,!!,/Cl,!,Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Tribufos;MW:314.50;EXA:- -+ +: <30,!4,S,!,P,//O,/'(S,!4)^160>rl,!,S,!4 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Tolclofos-methyl;MW:301.13;EXA:- -+ +: <-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,{2,6}:/Cl,4:/_ -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Trifluralin;MW:335.3;EXA:- -+ +: <30,Ph,{1,3}:/NO2,5:/CF3,@2,\,N,/!2,!3 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Napropamide;MW:271.4;EXA:- -+ +: <-30,Ph,4=Ph,@10,\,O,!,??,!,//O,!,N,/!,! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Nitrothal-isopropyl;MW:295.3;EXA:- -+ +: <30,Ph,5:/NO2,@1,\,//O,!,O,!?!,@3,\,//O,!,O,!?! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Norflurazon;MW:303.7;EXA:- -+ +: <30,?6,{1,5}=dl,{4,5}:N,1:/NH!,3://O,2:/Cl,@4,\,Ph,-4:/CF3 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Paclobutrazole;MW:293.795;EXA:- -+ +: <30,Ph,6:/Cl,@3,\,!2,/OH,!,??!,@8,\,|,?5,{2,4}=dl,{1,2,4}:N -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Picolinafen;MW:376.331;EXA:- -+ +: <30,Ph,5:/CF3,@3,\,O,!,|,|,Ph,2:N,@3,\,//O,!,NH,!,|,Ph,4:/F -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Bitertanol;MW:337.4;EXA:- -+ +: <30,Ph,@3,\,Ph,@-3,\,O,!2,/OH,!,??!,@14,\,|,?5,{2,4}=dl,{1,2,4}:N -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Bifenox;MW:342.14;EXA:- -+ +: <30,Ph,{4,6}:/Cl,@3,\,O,!,Ph,-4:/COO!,-3:/NO2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Bifenthrin;MW:422.88;EXA:- -+ +: <-30,?3,{2^-35,2'^35}:*/_, @1,\,!~dl,/Cl,!,CF3,@3,\,//O,!,O,!,-60,Ph,-1:/_,-2:/Ph -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Piperophos;MW:353.48;EXA:- -+ +: <-30,!3,O,!,P,//S,/O!?!^160>rl,!,S,!2,//O,!,|,?6,1:N,6:/_ -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Pyraclofos;MW:360.80;EXA:- -+ +: <30,!2,O,!,P,//O,/S!3^160>rl,!,O,!, <-12,|,?5,{1,4}=dl,{3,4}:N,@-3,-12,|,Ph,4:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Pyrazophos;MW:373.37;EXA:- -+ +: <30,!2,O,!,P,//S,/O!2^160>rl,!,O,!, |,?5,3=?6,{2,5,7,9}=dl,{4,5,6}:N,7:/_,-2:/COO!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Pyraflufen-ethyl;MW:413.174;EXA:- -+ +: <30,Ph,6:/Cl,4:/F,@3,\,|,?5,{1,4}=dl,{2,3}:N,-3:/_,5:/Cl, @-2,\,O,!,/F,!,F,@$1,\,O,!2,//O,!,O,!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Pyridaben;MW:364.9;EXA:- -+ +: <30,?6,{2,4}=dl,{5,6}:N,6:/??!,1://O,2:/Cl,@-4,\,S,!2,|,Ph,4:/??! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Pyridaphenthion;MW:340.34;EXA:- -+ +: <30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,?6,{1,5}=dl,{2,3}:N,4://O,3:/Ph -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Pyributicarb;MW:330.4;EXA:- -+ +: <30,Ph,5:/??!,@3,\,//O,!,S,!,N,?!,|,Ph,2:N,3:/O! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Pyriproxyfen;MW:321.5;EXA:- -+ +: <30,Ph,@5,\,O,!,Ph,@-3,\,O,!2,?!,O,-60,|,Ph,2:N -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Pyriminobac-Methyl;MW:361.354;EXA:- -+ +: <30,Ph,2:/OCO!,@5,\,/_,!!,N,!,O,!,@3,\,O,!,|,Ph,{2,6}:N,{3,5}:/O! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Pirimiphos-methyl;MW:305.333;EXA:- -+ +: <-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,{2,4}:N,5:/_,@-4,\,N,/!,!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Pyrimethanil;MW:199.257;EXA:- -+ +: <30,Ph,@3,\,NH,!,|,Ph,{2,6}:N,{3,5}:/_ -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Pyroquilon;MW:173.2;EXA:- -+ +: <30,Ph,3=?6,10:N,9://O,(11,4)=?5 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Vinclozolin;MW:286.108;EXA:- -+ +: <36,?5,3:N,5:O,{2,4}://O,1:/_^54,@1,-30,!!,@3,\,|,Ph,{3,5}:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Fipronil;MW:437.2;EXA:- -+ +: <30,Ph,{2,4}:/Cl,6:/CF3,@3,\,|,?5,{2,4}=dl,{1,2}:N,3:/CN,5:/NH2, @-2,\,S,//O,!,CF3 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Fenomiphos;MW:303.36;EXA:- -+ +: <30,!2,O,!,P,//O,/NH!?!^160,!,O,!,|,Ph,3:/_,4:/S! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Fenarimol;MW:331.2;EXA:- -+ +: <30,Ph,@3,\,!,Ph,{4,11}:/Cl,7:/OH^30,@7,-30,|,Ph,{3,5}:N -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Fenitrothion;MW:277.23;EXA:- -+ +: <-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,3:/_,2:/NO2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Fenothiocarb;MW:253.4;EXA:- -+ +: <30,Ph,@3,\,O,!5,S,!,//O,!,N,?! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Fensulfothion;MW:308.35;EXA:- -+ +: <30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,Ph,@-3,\,S,//O,! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Fenthion;MW:278.33;EXA:- -+ +: <-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,3:/_,4:/S! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Phenthoate;MW:320.358;EXA:- -+ +: <-30,!,O,!,P,//S,/O!^160,!,S,!,/Ph,!,//O,!,O,!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Fenvalerate;MW:419.91;EXA:- -+ +: <30,Ph,6:/Cl,@3,\,/?!,!,//O,!,O,!,/CN,!,Ph,@-4,\,O,-60,Ph -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Fenpropathrin;MW:349.4;EXA:- -+ +: <-30,?3,{1^35,2^-35}:*/_,{1^-35,2^35}:/*_, @3,\,//O,!,O,!,/CN,!,Ph,@-4,\,O,-60,Ph -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Fenpropimorph;MW:303.49;EXA:- -+ +: <30,?6,3:N,6:O,{1,5}:*/_,@3,\,!?,!2,|,Ph,4:/??! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Phthalide;MW:271.9;EXA:- -+ +: <30,Ph,3=?5,8:O,9://O,{1,2,5,6}:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Butachlor;MW:311.85;EXA:- -+ +: <30,!4,O,!2,N,!,//O,!2,Cl,@7,\,Ph,{-1,-5}:/! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Butamifos;MW:332.36;EXA:- -+ +: <-30,!2,?!,NH,!,P,//S,/O!2^170>rl,!,O,!,|,Ph,2:/NO2,5:/_ -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Bupirimate;MW:316.42;EXA:- -+ +: <30,Ph,{4,6}:N,1:/_,@3,\,O,!,SOO,!,N,?!,2:/!3,@5,\,NH,!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Buprofezin;MW:305.4;EXA:- -+ +: <-30,?6,{1,5}:N,1:/Ph,3:S,6://O,5:/?!,@4,\~dm,N,!,??! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Flamprop-methyl;MW:335.8;EXA:- -+ +: <30,Ph,1:/Cl,6:/F,@3,\,N,!?!,//O,!,O,!,@7,\,//O,-60,Ph -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Fluacrypyrim;MW:426.392;EXA:- -+ +: <30,Ph,{4,6}:N,1:/CF3,5:/O!?!,@3,\,O,!2,Ph,@-1,\,|,!!,!,O,!,1:/COO! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Fluquinconazole;MW:376.2;EXA:- -+ +: <30,Ph,3=?6,8=dl,{7,9}:N,6:/F,10://O,@8,\, |,?5,{2,4}=dl,{1,3,5}:N,@$9,\,|,Ph,{4,6}:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Fludioxonil;MW:248.2;EXA:- -+ +: <30,Ph,5=?5,{7,9}:O,{8^-40,8^40}:/F,@4,\,|,?5,{2,5}=dl,-2:NH,-4:/CN -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Flucythrinate;MW:451.5;EXA:- -+ +: <30,Ph,@6,\,O,!,/F,!,F,@3,\,/?!,!,//O,!,O,!,/CN,!,Ph,@-4,\,O,-60,Ph -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Flutolanil;MW:323.3;EXA:- -+ +: <30,Ph,2:/CF3,@3,\,//O,!,NH,!,Ph,-1:/O!?! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Fluvalinate;MW:502.92;EXA:- -+ +: <30,Ph,5:/Cl,1:/CF3,@4,\,NH,!,/?!,!,//O,!,O,!,/CN,!,Ph,@-4,\,O,-60,Ph -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Flumioxazin;MW:354.337;EXA:- -+ +: <30,Ph,6:/F,3=?6,-1:O,-4:N,-3://O,@-4,\,!,!!!, @1,\,|,?5,3=?6,3=dr,1:N,{2,5}://O -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Pretilachlor;MW:311.85;EXA:- -+ +: <30,Ph,{2,4}:/!,@3,\,N,!3,O,!3,@$7,\,//O,!2,Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Procymidone;MW:284.136;EXA:- -+ +: ?6,1:N,@3,&5,{2,6}://O,{3,5}:/_,@1,\,|,Ph,{3,5}:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Prothyophos;MW:329.18;EXA:- -+ +: <-30,!3,O,!,P,//S,/O!2^160>rl,!,O,!,|,Ph,{2,4}:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Propachlor;MW:211.689;EXA:- -+ +: <30,Ph,@3,\,N,/?!,!,//O,!2,Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Propazine;MW:229.7;EXA:- -+ +: <30,Ph,{2,4,6}:N,5:/Cl,{1,3}:/NH!?! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Propanil;MW:218.077;EXA:- -+ +: <30,Ph,{1,6}:/Cl,@3,\,NH,!,//O,!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Propaphos;MW:304.343;EXA:- -+ +: <-30,!3,O,!,P,//O,/O!3^160>rl,!,O,!,|,Ph,4:/S! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Propyzamide;MW:256.1;EXA:- -+ +: <30,Ph,{1,5}:/Cl,@3,\,//O,!,NH,!,??,!,!!! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Propiconazole;MW:342.22;EXA:- -+ +: <30,Ph,{4,6}:/Cl,@3,\,!2,|,?5,{2,4}=dl,{1,2,4}:N,@$7,?5,{-1,-4}:O,-3:/!2^-15 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Prohydrojasmon;MW:254.37;EXA:- -+ +: <18,?5,2://O,3:*\^-12,!4,@4,\*,!,//O,!,O,!3 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Profenofos;MW:373.6;EXA:- -+ +: <30,!2,O,!,P,//S,/O!3^160>rl,!,O,!,|,Ph,2:/Cl,4:/Br -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Bromacil;MW:261.119;EXA:- -+ +: <30,?6,6=dl,3:N,1:/Br,{2,4}://O,5:NH,6:/_,3:/?!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Prometryn;MW:241.4;EXA:- -+ +: <30,Ph,{2,4,6}:N,5:/S!,{1,3}:/NH!?! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Bromobutide;MW:312.2;EXA:- -+ +: <30,Ph,@3,\,??,!,NH,!,//O,!,/Br,!,??! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Bromophos;MW:365.99;EXA:- -+ +: <-30,!,O,!, P,//S,/O!^160,!,O,!,|,Ph,{3,6}:/Cl,4:/Br -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Bromopropylate;MW:428.12;EXA:- -+ +: <30,Ph,@3,\,!,Ph,{6,11}:/Br,7:/OH^-45,@7,30,//O,!,O,-60,?! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Hexaconazole;MW:314.2;EXA:- -+ +: <36,?5,{1,4}=dl,{1,3,5}:N,@3,30,!5,-4^30:/OH,@-5,-30,|,Ph,{4,6}:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Hexazinone;MW:252.31;EXA:- -+ +: <30,?6,3=dl,{2,4,6}:N,2:/_,{1,5}://O,6:/?6,3:/N?! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Benalaxyl;MW:325.4;EXA:- -+ +: <30,Ph,@3,\,!,//O,!,N,!?!,//O,!,O,!,@-5,\,|,Ph,{2,6}:/_ -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Benoxacor;MW:260.1;EXA:- -+ +: <90,Ph,3=?6,7:N,10:O,8:/_,@7,\,//O,!,/Cl,!,Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Heptachlor;MW:373.35;EXA:- -+ +: <30,?6`1.3,3=?5,{6,8}=dl,@2,210~wf`1.5,&5~wb,{1,2,5,6,9,10^-210,10^-150}:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Permethrin;MW:391.30;EXA:- -+ +: <-30,?3,{2^-35,2'^35}:*/_,@1,\,!~dl,/Cl,!,Cl, @3,\,//O,!,O,!2,Ph,@-4,\,O,-60,Ph -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Penconazole;MW:284.184;EXA:- -+ +: <30,Ph,{4,6}:/Cl,@3,\,/!2,!2,|,<30,?5,{2,4}=dl,{1,2,4}:N -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Pendimethalin;MW:281.3;EXA:- -+ +: <30,Ph,{3,5}:/NO2,{1,2}:/_,@4,\,NH,!?,!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Benfluralin;MW:335.3;EXA:- -+ +: <30,Ph,{1,3}:/NO2,5:/CF3,@2,\,N,/!,!4 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Benfuresate;MW:256.3;EXA:- -+ +: <30,Ph,3=?5,7:O,9:??,@6,\,O,!,SOO,!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Bensulide;MW:397.5;EXA:- -+ +: <30,!?!,O,!,P,//S,/O!?!^160>rl,!,S,!3,NH,!,SOO,!,Ph -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Phosalone;MW:367.80;EXA:- -+ +: <30,!2,O,!,P,//S,/O!2^160>rl,!,S,!2,|,?5,4=Ph,4=dr,1:N,2://O,3:O,8:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Phosmet;MW:317.32;EXA:- -+ +: <-30,!,O,!,P,//S,/O!^160,!,S,!2,|,?5,3=Ph2,1:N,{2,5}://O -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Phorate;MW:260.4;EXA:- -+ +: <30,!2,O,!,P,//S,!,S,!2,S,!2,4^160>rl:/O!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Malathion;MW:330.35;EXA:- -+ +: <-30,!,O,!,P,//S,/O!^160,!,S,!2,//O,!,O,!2,@5,\`1,!,//O,!,O,!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Myclobutanil;MW:288.8;EXA:- -+ +: <36,?5,{1,4}=dl,{1,3,5}:N,@3,30,!5,7:/CN^30,@7,-30,|,Ph,4:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Methidathion;MW:302.32;EXA:- -+ +: <-30,!,O,!,P,//S,/O!^160,!,S,!2,|,?5,4=dl,{1,5}:N,3:S,2://O,4:/O! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Methoxychlor;MW:345.644;EXA:- -+ +: <30,Ph,@3,\,!,Ph,{6,11}:/O!,7:/CCl3 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Metolachlor;MW:283.8;EXA:- -+ +: <30,Ph,5:/!,3:/_,@4,\,N,!,//O,!2,Cl,@7,\,?!2,O,! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Mevinphos;MW:224.15;EXA:- -+ +: <-30,!,O,!,P,//O,/O!^160,!,O,!?,!!,!,//O,!,O,! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Mefenacet;MW:298.4;EXA:- -+ +: <12,Ph,3=?5,9=dl,9:N,7:S,@8,\,O,!2,//O,!,N,?!,Ph -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Mefenpyr-diethyl;MW:373.23;EXA:- -+ +: <18,?5,5=dl,{4,5}:N,3^65:/_,{1^12,3^-12}:/COO!2,@4,-24,|,Ph,{4,6}:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Mepronil;MW:269.3;EXA:- -+ +: <30,Ph,2:/_,@3,\,//O,!,NH,!,|,Ph,5:/O!?! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Molinate;MW:187.3;EXA:- -+ +: <47,?7,3:N,@3,\,//O,!,S,!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Resmethrin;MW:338.4;EXA:- -+ +: <-30,?3,{2^-35,2'^35}:*/_,@1,\,!!,?!,@3,\,//O,!,O,!2, |,?5,{3,5}=dl,2:O,@3,\,!,Ph -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Lenacil;MW:234.3;EXA:- -+ +: <30,?6,3=?5,3=dl,6:N,2:NH,{1,5}://O,6:/?6 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Halfenprox;MW:477.4;EXA:- -+ +: <30,Ph,@6,\,O,!,/F^35,/F^-35,!,Br,@3,\,!,??,!,O,!2,Ph,@-2,\,O,60,Ph -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Paraquat;MW:257.16;EXA:- -+ +: Ph,@4,\,Ph,{1,10}:N!,1:p_^-90,10:p_^90,@1,@(0,1.2),Cl,n_^15, @10,@(0,1.2),Cl,n_^15 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Oxine-Copper;MW:351.852;EXA:- -+ +: Ph,4:N,5=Ph,@-4,\,O,-60,<90,Cu,-90,O,60,|,Ph,5=Ph,10:N,||,@4,&12~vf,@23,&12~vf -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Endosulfan;MW:406.904;EXA:- -+ +: <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 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Uniconazole-P;MW:291.779;EXA:- -+ +: <30,Ph,6:/Cl,@3,\,!~dl,!,/OH,!,??!,@8,\,|,?5,{2,4}=dl,{1,2,4}:N -+ +; %****************************************************************************** Cat:pesticide;EN:Azinphos-methyl;MW:317.318;EXA:- -+ +: <-30,!,O,!,P,//S,/O!^160,!,S,!2,|,?6,-3=?6,{2,4,8,10}=dl,{1:3}:N,6://O -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Azoxystorbin;MW:403.394;EXA:- -+ +: <30,Ph,2:/CN,@3,\,O,!,Ph,{-1,-3}:N,@-4,\,O,!,Ph,@-5,\,//!O!,!,//O,!,O,! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Aramite;MW:334.859;EXA:- -+ +: <30,Ph,6:/??!,@3,\,O,!2,?!,O,!,S,//O,!,O,!3,Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Aldicarb;MW:190.3;EXA:- -+ +: <-30,!,S,!,??,!,!!,N,!,O,!,//O,!,NH,! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Aldoxycarb;MW:222.3;EXA:- -+ +: <30,!,//O,!,NH,!,O,!,N,!!,!,??,!,SOO,! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Isoxaflutole;MW:359.319;EXA:- -+ +: <30,Ph,6:/CF3,@4,\,SOO,!,@3,\`1,//O,!`1,<-12,|,?5,{1,4}=dl,3:O,4:N,2:/?3 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Iprovalicarb;MW:320.4;EXA:- -+ +: <30,Ph,6:/_,@3,\,!?!,NH,!,//O,!,??,!,NH,!,//O,!,O,!?! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Imazalil;MW:297.2;EXA:- -+ +: <-30,!2,O,!2,!!,@1,60,|,?5,{2,4}=dl,{1,3}:N,@$2,\,|,Ph,{4,6}:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Imidacloprid;MW:255.662;EXA:- -+ +: <30,Ph,1:N,6:/Cl,@3,\,!,|,?5,1:N,3:NH,@2,\\,N,!,NO2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Indanofan;MW:340.80;EXA:- -+ +: <30,Ph,3=?5,{7,9}://O,8^55>lr:/!,@8,-30,!2,|,Ph,5:/Cl,||,@11,?3,-2:O -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Indoxacarb;MW:527.837;EXA:- -+ +: <-6,Ph,3=?5,9=?6,15=dl,10:O,{12,13}:N,1:/Cl,8`1^-54:/COO!, @12,\,//O,!,N,/COO!,!,Ph,@-3,\,O,!,CF3 -+ +; Cat:pesticide;EN:Oxamyl;MW:219.3;EXA:- -+ +: <-30,!,N,?!,//O,!,/S!,!!,N,!,O,!,//O,!,NH,! -+ +; Cat:pesticide;EN:Oryzalin;MW:346.4;EXA:- -+ +: <30,Ph,{1,3}:/NO2,@5,\,SOO,!,NH2,@2,\,/!2,N,!3 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Carbaryl;MW:201.22;EXA:- -+ +: <30,Ph,5=Ph,@4,\,//O,!,O,!,NH,! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Carpropamid;MW:334.665;EXA:- -+ +: <-30,?3,1:/_,{2^-35,2'^35}:*/Cl,3^70:/!,@3,\,//O,!,NH,!?!,Ph,-3:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Cumyluron;MW:302.802;EXA:- -+ +: <30,Ph,@4,\,??,!,NH,!,//O,!,NH,!2,|,Ph,6:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Cloquintocet-methyl;MW:335.83;EXA:- -+ +: <90,Ph,4=Ph,2:N,10:/Cl,@7,\,O,!2,//O,!,O,!?,!5 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Clotianidin;MW:249.673;EXA:- -+ +: <6,?5,{3,5}=dl,2:S,5:N,1:/Cl,@3,\,!,NH,!,/NH!,!!,N,!,NO2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Chromafenozide;MW:394.515;EXA:- -+ +: <30,?6,3=?6,5:O,{7,9,11}=dl,7:/_,@8,\,//O,!,NH,!,N,/??!,!,//O,!,|,Ph,{3,5}:/_ -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Clomeprop;MW:324.2;EXA:- -+ +: <30,Ph,{4,6}:/Cl,5:/_,@3,\,O,!?!,//O,!,NH,!,Ph -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Chloridazon;MW:221.6;EXA:- -+ +: <30,?6,{3,4}:N,{2,6}=dl,5://O,1:/NH2,6:/Cl,4:/Ph -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Chloroxuron;MW:290.745;EXA:- -+ +: <30,Ph,6:/Cl,@3,\,O,!,Ph,@-3,\,NH,!,//O,!,N,?! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Cyazofamid;MW:324.783;EXA:- -+ +: <18,?5,{2,5}=dl,{2,4}:N,1:/Cl,3:/CN,@4,\,SOO,!,N,?!,@5,\,Ph,-3:/_ -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Diuron;MW:233.1;EXA:- -+ +: <30,Ph,{1,6}:/Cl,@3,\,NH,!,//O,!,N,?! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Cyflufenamid;MW:412.36;EXA:- -+ +: <30,Ph,4^20:/CF3,{1,2}:/F,@3,\,!,NH,!,//O,!2,Ph,@-10,\\,N,!,<-12,O,!2,?3 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Diflubenzuron;MW:310.7;EXA:- -+ +: <30,Ph,{2,4}:/F,@3,\,//O,!,NH,!,//O,!,NH,!,Ph,-3:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Cyprodinil;MW:225.295;EXA:- -+ +: <30,Ph,{2,4}:N,5:/_,1:/?3,@3,\,NH,!,Ph -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Simeconazole;MW:293.417;EXA:- -+ +: <36,?5,{1,3,5}:N,{1,4}=dl,@3,30,!,/OH^30,!2,Si,??!,@7,-30,Ph,-3:/F -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Dimethirimol;MW:209.29;EXA:- -+ +: <30,?6,{3,5}=dl,1://O,2:NH,3:/N?!,4:N,5:/_,6:/??! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Dimethomorph;MW:387.86;EXA:- -+ +: <30,?6,1:O,4:N,@4,\,//O,!,!!`1,!,|,Ph,{4,5}:/O!,||,@9,\,Ph,-3:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Silafluofen;MW:408.588;EXA:- -+ +: <30,Ph,@5,\,O,!,Ph,-1:/F,@10,\,!3,Si,??,!,Ph,-3:/O!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Di-allate;MW:270.212;EXA:- -+ +: <-30,!?!,N,!,//O,!,S,!2,!!,!,Cl,3:/?!,7:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Daimuron;MW:268.4;EXA:- -+ +: <30,Ph,@4,\,??,!,NH,!,//O,!,NH,!,Ph,-3:/_ -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Thiacloprid;MW:252.72;EXA:- -+ +: <30,Ph,1:N,6:/Cl,@3,\,!,<-12,|,?5,1:N,3:S,@-4,\\,N,!,CN -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Thiabendazole;MW:201.247;EXA:- -+ +: <30,Ph,3=?5,8=dl,9:NH,7:N,@8,\,|,?5,{1,4}=dl,3:S,5:N -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Thiamethoxam;MW:291.71;EXA:- -+ +: <30,?6,2:O,{4,6}:N,6:/_,@5,\\,N,!,NO2,@4,\,!,|,?5,{1,3}=dl,3:N,5:S,4:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Tebuthiuron;MW:228.3;EXA:- -+ +: <18,?5,{3,5}=dl,{4,5}:N,2:S,1:/??!,@3,\,N,?!,//O,!,NH,! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Tebufenozide;MW:352.5;EXA:- -+ +: <30,Ph,6:/!,@3,\,//O,!,NH,!,N,/??!,!,//O,!,|,Ph,{3,5}:/_ -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Teflubenzuron;MW:381.1;EXA:- -+ +: <30,Ph,{2,4}:/F,@3,\,//O,!,NH,!,//O,!,NH,!,|,Ph,{3,5}:/Cl,{4,6}:/F -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Tridemorph;MW:297.5;EXA:- -+ +: <30,?6,3:N,6:O,{1,5}:/_,3:/!12 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Triflumuron;MW:358.701;EXA:- -+ +: <30,Ph,4:/Cl,@3,\,//O,!,NH,!,//O,!,NH,!,|,Ph,@5,\,O,!,CF3 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Naproanilide;MW:291.35;EXA:- -+ +: <30,Ph,4=Ph,@8,\,O,!?!,//O,!,NH,!,Ph -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Novaluron;MW:492.706;EXA:- -+ +: <30,Ph,{2,4}:/F,@3,\,//O,!,NH,!,//O,!,NH,!, Ph,-4:/Cl,@-3,\,O,!,/F^-35,/F^35,!,/F,!,O,!,CF3 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Pyraclostrobin;MW:387.817;EXA:- -+ +: <30,Ph,@3,\,!,O,!,<12,|,?5,{2,5}=dl,{4,5}:N, @4,12,Ph,-3:/Cl,||,@2,\,N,/O!,!,COO! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Pirimicarb;MW:238.291;EXA:- -+ +: <30,Ph,{1,5}:N,{2,3}:/_,6:/N?!,@4,\,O,!,//O,!,N,?! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Fenoxycarb;MW:301.35;EXA:- -+ +: <30,Ph,@5,\,O,!,Ph,@-3,\,O,!3,NH,!,//O,!,O,!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Fenobucarb;MW:207.3;EXA:- -+ +: <30,Ph,5:/?!2,@4,\,O,!,//O,!,NH! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Ferimzone;MW:254.337;EXA:- -+ +: <30,Ph,4:/_,@3,\,/_,!!,N,!,NH,!,|,Ph,{2,6}:N,{3,5}:/_ -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Fenamidone;MW:311.403;EXA:- -+ +: <18,?5,4=dl,{3,5}:N,2://O,@3,\,NH,!,Ph,4:/S!,1^52:*/_,1^-48:/*Ph -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Fenpyroximate;MW:421.49;EXA:- -+ +: <-6,?5,{3,5}=db,{1,2}:N,{2,5}:/_,@3,-15,O,!,Ph, @4,\,!!,N,!,O,!2,|,Ph,@4,\,//O,-60,O,!4 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Phenmedipham;MW:300.32;EXA:- -+ +: <30,Ph,5:/_,@3,\,NH,!,//O,!,O,!,Ph,@-4,\,NH,!,//O,!,O! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Butafenacil;MW:474.817;EXA:- -+ +: <30,?6,6=dl,{3,5}:N,{2,4}://O,5:/_,6:/CF3, @3,\,Ph,-3:/Cl,@-2,\,//O,!,O,!,??,!,//O,!,O,!2,!! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Flufenacet;MW:363.331;EXA:- -+ +: <6,?5,{2,5}=dl,{1,2}:N,4:S,5:/CF3,@3,\,O,!,-60,//O,!,N,/?!,!,|,Ph,4:/F -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Flufenoxuron;MW:488.77;EXA:- -+ +: <30,Ph,{2,4}:/F,@3,\,//O,!,NH,!,//O,!,NH,!,Ph,-1:/F,@-3,\,O,!,|,Ph,4:/CF3,6:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Fluridone;MW:329.3;EXA:- -+ +: <30,?6,{3,6}=dl,2:N,2:/_,5://O,@4,\,Ph,-4:/CF3,6:/Ph -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Propaquizafop;MW:443.884;EXA:- -+ +: <90,Ph,3=?6,{8,10}=dl,{7,10}:N,1:/Cl, @8,\,O,!,|,Ph,@4,\,O,|,!2,//O,!,O,!,-60,!,O,-60,N,-60~dr,!,{2,9}:/_ -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Hexaflumuron;MW:461.14;EXA:- -+ +: <30,Ph,{2,4}:/F,@3,\,//O,!,NH,!,//O,!,NH,!, |,Ph,{3,5}:/Cl,@4,\,O,!,/F^-35,/F^35,!,/F,!,F -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Hexathiazox;MW:352.877;EXA:- -+ +: <30,?6,@3,\,NH,!,//O,!,<-24,|,?5,1:N,3:S,2://O,5:/_,@4,\,Ph,-3:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Pencycuron;MW:328.84;EXA:- -+ +: <30,Ph,6:/Cl,@3,\,!,N,/?5,!,//O,!,NH,!,Ph -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Bendiocarb;MW:223.228;EXA:- -+ +: <30,Ph,5=?5,{7,9}:O,8:??,@4,\,O,!,//O,!,NH! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Pentoxazone;MW:353.774;EXA:- -+ +: <66,?5,5://?!,1:O,3:N,{2,4}://O,@3,\,|,Ph,4:/Cl,6:/F,@3,\,O,!,?5 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Boscalid;MW:343.21;EXA:- -+ +: <30,Ph,5:N,4:/Cl,@3,\,//O,!,NH,!,Ph,@-1,\,Ph,-3:/Cl -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Methabenzthiazuron;MW:221.3;EXA:- -+ +: Ph,3=?5,9=dl,7:S,9:N,@8,\,N,?!,//O,!,NH,! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Methoxyfenozide;MW:368.48;EXA:- -+ +: <30,Ph,2:/_,1:/O!,@3,\,//O,!,NH,!,N,/??!,!,//O,!,|,Ph,{3,5}:/_ -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Monolinuron;MW:214.6;EXA:- -+ +: <30,Ph,6:/Cl,@3,\,NH,!,//O,!,N,?!,O,! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Lactofen;MW:461.78;EXA:- -+ +: <30,Ph,4:/Cl,6:/CF3,@3,\,O,!,Ph,-3:/NO2,@-4,\,//O,!,O,!?!,//O,!,O,!2 -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Linuron;MW:249.1;EXA:- -+ +: <30,Ph,{1,6}:/Cl,@3,\,NH,!,//O,!,N,?!,O,! -+ +; %------------------------------------------------------------------------------ Cat:pesticide;EN:Lufenuron;MW:511.15;EXA:- -+ +: <30,Ph,{2,4}:/F, @3,\,//O,!,NH,!,//O,!,NH,!,Ph,{-1,-4}:/Cl,@-3,\,O,!,/F^35,/F^-35,!,/F,!,CF3 -+ +; %****************************************************************************** Cat:antibacterial;EN:Sulfacetamide;MW:214.239;EXA:- -+ +: <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,//O,! -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Sulfatiazole;MW:255.31;EXA:- -+ +: <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,?5,{1,3}=dl,2:N,5:S -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Chlopidol;MW:192.039;EXA:- -+ +: <30,Ph,{1,3}:/_,2:N,{4,6}:/Cl,5:/OH -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Sulfadiadine;MW:250.276;EXA:1 -+ +: <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,6}:N -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Levamisole;MW:204.29;EXA:- -+ +: ?5,3=?5,6=dl,2:S,{4,6}:N,@7,\,Ph -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:5-(Propylsulphonyl)-1-H-Benzimidazole-2-Amine;MW:239.29;EXA:- -+ +: <30,Ph,3=?6,8=dl,7:N,9:NH,6:/S!3,8:/NH2 -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Sulfapyrizine;MW:249.288;EXA:- -+ +: <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,6:N -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Marbofloxacin;MW:362.361;EXA:- -+ +: <30,Ph,{3,(2,7)}=?6,9=dl,6:/F,{7,13}:N,11:O,9:/COOH,10://O,13:/_, @1,\,|,?6,{1,4}:N,4:/_ -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Sulfamerazine;MW:264.303;EXA:- -+ +: <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,6}:N,3:/_ -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Trimethoprim;MW:290.323;EXA:- -+ +: <30,Ph,{1,5}:N,{2,6}:/NH2,@3,\,!,|,Ph,{3,4,5}:/O! -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Ofloxacin;MW:361.373;EXA:- -+ +: <30,Ph,{3,(2,7)}=?6,9=dl,7:N,11:O, 6:/F,9:/COOH,10://O,13:/_,@1,\,|,?6,{1,4}:N,4:/_ -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Ciprofloxacin;MW:331.347;EXA:- -+ +: <30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O,@1,\,|,?6,1:N,4:NH -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Enrofloxacin;MW:359.401;EXA:- -+ +: <30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O,@1,\,|,?6,{1,4}:N,4:/! -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Danofloxacin;MW:357.385;EXA:- -+ +: <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:*/_ -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Ormetoprim;MW:274.324;EXA:- -+ +: <30,Ph,{1,5}:N,{2,6}:/NH2,@3,\,!,|,Ph,2:/_,{4,5}:/O! -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Sulfadimidine;MW:278.33;EXA:- -+ +: <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,4}:N,{3,5}:/_ -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Orbifloxacin;MW:395.382;EXA:- -+ +: <30,Ph,-4=?6,9=dl,7:N,{2,5,6}:/F,7:/?3,9:/COOH,10://O, @1,\,|,?6,1:N,{3,5}:*/_,4:NH -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Sulfamethoxypyridazine;MW:280.302;EXA:- -+ +: <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{5,6}:N,4:/O! -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Sarafloxacin;MW:385.371;EXA:- -+ +: <30,Ph,3=?6,9=dl,7:N,6:/F,9:/COOH,10://O,@1,\,?6,-6:N,-3:NH,@7,\,Ph,-3:/F -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Difloxacin;MW:399.398;EXA:- -+ +: <30,Ph,-4=?6,9=dl,7:N,6:/F,9:/COOH,10://O,@1,\,|,?6,{1,4}:N,4:/_, ||,@7,\,Ph,-3:/F -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Sulfamonomethoxine;MW:280.302;EXA:- -+ +: <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,4}:N,3:/O! -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Sulfachlorpyridazine;MW:284.723;EXA:- -+ +: <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{5,6}:N,4:/Cl -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Sulfadoxine;MW:310.328;EXA:- -+ +: <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{4,6}:N,{2,3}:/O! -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Sulfamethoxazole;MW:253.276;EXA:- -+ +: <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,?5,{2,5}=dl,4:O,5:N,3:/_ -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Pirimethamin;MW:248.714;EXA:- -+ +: <30,Ph,6:/Cl,@3,\,Ph,{-2,-4}:N,-1:/!,{-3,-5}:/NH2 -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Oxibendazole;MW:249.27;EXA:- -+ +: <30,Ph,-4=?5,9=dl,7:NH,9:N,1:/O!3,@8,\,NH,!,COOH -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Oxolinic acid;MW:261.233;EXA:- -+ +: <30,Ph,3=?6,6=?5,9=dl,7:N,{11,13}:O,10://O,7:/!,9:/COOH -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Sulfabenzamide;MW:276.31;EXA:- -+ +: <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,//O,!,Ph -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Ethopabate;MW:237.255;EXA:- -+ +: <30,Ph,1:/NHCO!,3:/O!2,4:/COO! -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Sulfadimethoxine;MW:310.33;EXA:- -+ +: <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,4}:N,{3,5}:/O! -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Sulfaquinoxaline;MW:300.337;EXA:- -+ +: <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,3=Ph,{2,5}:N -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Nalidixic acid;MW:232.239;EXA:- -+ +: <30,Ph,3=?6,9=dl,{5,10}:N,6:/_,7://O,8:/COOH,10:/! -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Flubendazole;MW:313.288;EXA:- -+ +: <30,Ph,-4=?5,9=dl,7:NH,9:N,@1,\,O,!,Ph,@8,\,NH,!,COO! -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Flumequine;MW:261.225;EXA:- -+ +: <30,Ph,{3,(2,7)}=?6,9=dl,7:N,6:/F,9:/COOH,10://O,13:/_ -+ +; %------------------------------------------------------------------------------ 34;Cat:antibacterial;EN:Sulfanitran;MW:335.334;EXA:- -+ +: <30,Ph,@1,\,NH,!,//O,!,@4,\,SOO,!,NH,!,|,Ph,4:/NO2 -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Xylazine;MW:220.334;EXA:- -+ +: <30,?6,3=dl,2:S,4:N,@3,\,NH,!,|,Ph,{2,6}:/_ -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Famphur;MW:325.3;EXA:- -+ +: <-30,!,O,!,P,//S,/O!^160,!,O,!,Ph,@-3,\,SOO,!,N!,! -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Lincomycin;MW:406.54;EXA:- -+ +: <6,?5,5:N,5:*/_,2:*/!2, @3,\*,//O,!,NH,!,!~wb,?6,-1:O,{-3',-4,-5}:*/OH,-2:/*S!,@8,-30,/_,60,OH -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:2-acethylamino-5-nitrothiazole;MW:187.178;EXA:- -+ +: <18,?5,{2,5}=dl,2:N,4:S,3:/NHCO!,5:/NO2 -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Chlorsulron;MW:357.77;EXA:- -+ +: <30,Ph,6:/NH2,@1,\,SOO,!,NH2,@3,\,SOO,!,NH2,@4,\,/Cl,60~dl,/Cl,!,Cl -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Florfenicol;MW:358.21;EXA:- -+ +: <30,Ph,@1,\,SOO,!,@4,\,/OH,!,/!F,!,NH,!,//O,!,/Cl,!,Cl -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Thiamphenicol;MW:355;EXA:- -+ +: <30,Ph,@1,\,SOO,!,@4,\,/OH,!,/!OH,!`1.1,NH,!`1.1,//O,!,/Cl,!,Cl -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Oxadiargyl;MW:341.19;EXA:- -+ +: <30,Ph,{1,3}:/Cl,6:/'(O,!2,!!!),@4,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??! -+ +; %------------------------------------------------------------------------------ Cat:antibacterial;EN:Oxaziclomefone;MW:376.277;EXA:- -+ +: <30,?6,6=dl,4:N,2:O,1:/_,5://O,6:/Ph,@4,\,??,!,|,Ph,{3,5}:/Cl -+ +; %****************************************************************************** Cat:biological;EN:Okadaic acid;MW:805.00;EXA:2 -+ +: <30,?6,@4,?6,@-4,\,!3,<-12,?5,@-3,<-12,?6,-3=?6,@-3,*\,!3, ?6,@-4,?6,@6,\,!,/*_^-40,*/OH^20,!,//O,!1,OH, 3=wb,11=dl,15=dr,17=wf,19=wf,38=wb,{5,7,16,24,25,33,42}:O, 32:*/H^60,10:/_,{12,31,37'}:*/_,27://_,28:/OH,{3,29}:/*OH -+ +; %------------------------------------------------------------------------------ Cat:antibiotics;EN:Vancomycin;MW:1449.25;EXA:2 -+ +: <-30,#1,!12,{1,3,12}=zf,7=wf,60,60,Ph,@-3,\,O,!,Ph,@-4,\,O,!,Ph,@-3,\,&1, @7,&26,@$1,60,60,NH,60,-60,Ph,@-1,\,Ph,@-2,&4,##, {36,3^40,6,9,12}://O,{2,5,8,11}:NH,{1,4^180,7'^-60,10'^60,14'^60,35^-60}:*/H, @@ -2816,10 +2841,10 @@ Cat:antibiotics;EN:Vancomycin;MW:1449.25;EXA:2 @10,*\^-60,60,//O,!,NH2,@13,*\,NH,!,//O,!,/??!,*/H^60,!~zf,NH,!, @23,\,O,!~zf,|,?6`.7,2:O,3^10:*/!OH,{4',5}:*/OH, @-1,\*,O,!~wb,|,?6`.7,6:O,{3'^35,5}:*/_,3^-35:/NH2,4:/*OH, -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Maitotoxin;MW:3425.86;EXA:2 -+ +: <55.8,?6,-4=?7 ,{-4,-3,-3,-3}=?6,@-3,\,!3,?6,{-4,-3,-3,-3}=?6,@-3,\,?6,-3=?6, @-3,\,!3,60,<-30,?6,-3=?6,@-3,30,<30,?6,{-3,-3}=?6,-3=?7,{-4,-3,-3}=?6, @-2,\,?6,-3=?6,-3=?7,{-3,-3}=?6,-3=?8,-3=dl,{-5,-3,-3,-3}=?6, @@ -2835,5 +2860,5 @@ Cat:biological;EN:Maitotoxin;MW:3425.86;EXA:2 @6,\,O,30,SO3Na, @$36,-45~zf,O,30,SO3Na, @$150,\,|,!7,{1,2}:/*OH,4:*/_,5:/*_,7=dl -+ +; %------------------------------------------------------------------------------ diff --git a/graphics/mcf2graph/mcf_man_soc.mp b/graphics/mcf2graph/mcf_man_soc.mp index 7eef412e3e..2443a83c70 100644 --- a/graphics/mcf2graph/mcf_man_soc.mp +++ b/graphics/mcf2graph/mcf_man_soc.mp @@ -1,13 +1,13 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% MCF file for mcf_manual.tex by Akira.Yamaji 2022.08.22 +% MCF file for mcf_manual.tex by Akira.Yamaji 2022.10.10 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -input mcf2graph; %% it must be version 4.87 +input mcf2graph; %% it must be version 4.88 % ** use library file 'mcf_library.mcf' -message "mcf_man_soc 2022.08.22"; message ""; +message "mcf_man_soc 2022.10.10"; message ""; %------------------------------------------------------------------------ sw_mframe:=0; sw_expand:=0; -%%ext(defaultscale:=.5; label.bot(decimal(char_num)&":"&inf_EN,(.5w,0));) +%%ext(defaultscale:=.5; label.bot(decimal(fig_num)&":"&inf_EN,(.5w,0));) %*********************************************************************** fsize:=(40mm,25mm); blength:=6mm; diff --git a/graphics/mcf2graph/mcf_manual.pdf b/graphics/mcf2graph/mcf_manual.pdf Binary files differindex bc2657e39f..24bd35cb07 100644 --- a/graphics/mcf2graph/mcf_manual.pdf +++ b/graphics/mcf2graph/mcf_manual.pdf diff --git a/graphics/mcf2graph/mcf_manual.tex b/graphics/mcf2graph/mcf_manual.tex index f6e773eb33..a756a684e1 100644 --- a/graphics/mcf2graph/mcf_manual.tex +++ b/graphics/mcf2graph/mcf_manual.tex @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format manual by Akira Yamaji 2022.08.22 +% Molecular Coding Format manual by Akira Yamaji 2022.10.10 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} %%%\usepackage{graphicx} @@ -1553,60 +1553,61 @@ bye \subsection{Molecular library file} \begin{verbatim} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% molecular library file mcf_library.mcf by Akira Yamaji 2022.08.21 +% molecular library file mcf_library.mcf by Akira Yamaji 2022.10.10 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % tag1:var1;tag2:var2;tag3:var3 ..... % first character of line "%" comment out -% first character of line "+" start,stop MCF +% first character of line ":" start MCF +% first character of line ";" stop MCF +% first character of line "=" start parameter setting +% first character of line "*" start ext(...) +% first character of line "+" start add(...) % Cat = Category,EN = Name,MW = Molecular weight %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -%============================================================================== -% molecular data for mcf_example.tex EXA:1[155] EXA:2[7] +Cat:Category;EN:Example;MW:100.00;EXA:% += + sw_frame:=Atom; +: +<30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH +* + defaultscale:=.5; + label.bot(decimal(fig_num)&":"&inf_EN,(.5w,0)); ++ + defaultscale:=.3; + label.bot("A2",A2) withcolor red; + label.top("A6",A6) withcolor red; + label.top("A9",A9) withcolor red; +; %============================================================================== Cat:biological;EN:Adenine;MW:135.13;EXA:1 -+ +: <30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Guanine;MW:151.13;EXA:1 -+ +: <30,?6,3=?5,{1,3,9}=dl,{2,9}:N,{6,7}:NH,5://O,1:/NH2 -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Cytosine;MW:111.10;EXA:1 -+ +: <30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2 -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Thymine;MW:126.11;EXA:1 -+ +: <30,?6,3=dl,{2,6}:NH,{1,5}://O,4:/_ -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Uracil;MW:112.09;EXA:1 -+ +: <30,?6,6=dl,{3,5}://O,{2,4}:NH -+ +; %== Amino acid ================================================================ Cat:biological;EN:Glycine;MW:75.07;EXA:- -+ -<30,NH2,!2,COOH -+ -%------------------------------------------------------------------------------ -Cat:biological;EN:Glycine;MW:75.07;EXA:- -+ +: <30,NH2,!2,COOH -+ -%------------------------------------------------------------------------------ -Cat:biological;EN:L-Alanine;MW:89.10;EXA:- -+ -<30,NH2,!~wb,?!,COOH -+ -%------------------------------------------------------------------------------ -Cat:biological;EN:L-Valine;MW:117.15;EXA:- -+ -<30,NH2,!~wb,/?!,!,COOH -+ +; %------------------------------------------------------------------------------ \end{verbatim} %------------------------------------------------------------------------------ @@ -1647,31 +1648,31 @@ mc_query("Cat=biological","MW>=285","MW<=290","a:EN"); % Sort key : EN (ascending) %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Cat:biological;EN:Atoropin;MW:289.375;EXA:1 -+ +: <30,O,!,//O,!2,Ph,@$1,\~zb^-60,|,?7`1.1,@6,*\^190`1.25,N!,&3~wb,$3:/!OH~wv -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Luteolin;MW:286.24;EXA:- -+ +: <30,Ph,3=?6,9=dl,10:O,7://O,@9,\,Ph,{2,6,14,15}:/OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Lycorine;MW:287.315;EXA:1 -+ +: <30,Ph,{-4,-2}=?6,{6,(9,12)}=?5,13=dl,8:N,{15,17}:O, {9'^180,10^60}:*/H,{13,14'}:*/OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Morphine;MW:285.343;EXA:1 -+ +: <30,Ph,{2,-4}=?6,(1,12)=?5[2],-1:O,-1=zb, @7,60~wf`0.75,70~si_`1.3,45,N!,&9~wb,15=dl,6:/OH,8^180:*/H,12:/*OH -+ +; %------------------------------------------------------------------------------ Cat:biological;EN:Piperine;MW:285.343;EXA:1 -+ +: <30,Ph,-1=?5,{-1,-3}:O,@4,\,!!,!,!!,!,//O,!,?6,-6:N -+ +; %------------------------------------------------------------------------------ \end{verbatim} %------------------------------------------------------------------------------ diff --git a/graphics/mcf2graph/mcf_mplib_exa.pdf b/graphics/mcf2graph/mcf_mplib_exa.pdf Binary files differindex f1afb95eba..749c4ce4f6 100644 --- a/graphics/mcf2graph/mcf_mplib_exa.pdf +++ b/graphics/mcf2graph/mcf_mplib_exa.pdf diff --git a/graphics/mcf2graph/mcf_mplib_exa.tex b/graphics/mcf2graph/mcf_mplib_exa.tex index 81801ae47a..7106de782c 100644 --- a/graphics/mcf2graph/mcf_mplib_exa.tex +++ b/graphics/mcf2graph/mcf_mplib_exa.tex @@ -1,7 +1,7 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2022.08.22 +% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2022.10.10 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% ** mcf2graph.mp must be version 4.87 +% ** mcf2graph.mp must be version 4.88 % ** use mcf_library.mcf \documentclass{article} %------------------------------------------------------------------------------ @@ -85,7 +85,7 @@ beginfigm("EN:Paclitaxel","MW:853.918", ": @7,\*,O,-45,//O,60,Ph,11:*/OCO!>rl,12:/*OCO!^-15>lr ") %--------------------------------------------------------------------- fsize:=(140mm,30mm); - if mc_check(mc)=0: MCat(0,0.5)(scantokens(mc)) + if mc_check(mc)=0: MCat(0,0.5)(scantokens(mc)) sw_numbering:=Atom; MCat(0.6,0.5)(scantokens(mc)) sw_numbering:=Bond; MCat(1,0.5)(scantokens(mc)) fi @@ -113,9 +113,10 @@ endfigm \noindent% ( read library file ) \begin{verbatim} -beginfigm("f:mcf_library.mcf","t:EN","v:Chlorophyll a","NO:-") - sw_output:=Fig+Calc+Mcode; %%%% output temp-mc.aux %%%% - fsize:=(100mm,30mm); +beginfigm("f:mcf_library.mcf","t:EN","v:Chlorophyll a","NO:-", + "= sw_output:=Fig+Calc+Mcode;", + "= fsize:=(100mm,30mm);") + if op_row>=1: scantokens(op) fi if mc_check(mc)=0: MC(scantokens(mc)) VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}"); @@ -128,8 +129,10 @@ endfigm \end{verbatim} %------------------------------------------------------------------------------------ \begin{mplibcode} -beginfigm("f:mcf_library.mcf","t:EN","v:Chlorophyll a","NO:-") - sw_output:=Fig+Calc+Mcode; fsize:=(100mm,30mm); +beginfigm("f:mcf_library.mcf","t:EN","v:Chlorophyll a","NO:-", + "= sw_output:=Fig+Calc+Mcode;", + "= fsize:=(100mm,30mm);") + if op_row>=1: scantokens(op) fi if mc_check(mc)=0: MC(scantokens(mc)) VerbatimTeX("\gdef\EN{"&inf_EN&"}\gdef\MW{"&inf_MW&"}"); diff --git a/graphics/pgf/contrib/tikz-ext/README.md b/graphics/pgf/contrib/tikz-ext/README.md index bee9e3512a..33ec46d366 100644 --- a/graphics/pgf/contrib/tikz-ext/README.md +++ b/graphics/pgf/contrib/tikz-ext/README.md @@ -30,7 +30,7 @@ These are * `ext.shapes.circlecrosssplit` * `ext.shapes.heatmark` * `ext.shapes.rectangleroundedcorners` - * `ext.shapes.superellopse` + * `ext.shapes.superellipse` These were developed in response to questions on tex.stackexchange.com. Some of these can be find by searching for my [user id](https://tex.stackexchange.com/search?q=user%3A16595+%22my+library%22).
\ No newline at end of file diff --git a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-calendar.tex b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-calendar.tex index 4f2300a458..09bd261a21 100644 --- a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-calendar.tex +++ b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-calendar.tex @@ -13,7 +13,7 @@ \begin{package}{calendar-ext} This package adds week numbers and more conditionals to the \pgfname\space package |pgfcalendar|. (Despite the code example above, this package is not set up to work with Con\TeX t.) - \inspiration{WeekNum-Q,CalCond-Q}{WeekNum-A,CalCond-A} + \inspiration{WeekNum-Q,CalCond-Q,CalFullWeek-Q}{WeekNum-A,CalCond-A,CalFullWeek-A} \end{package} %This package extends the |pgfcalendar| package. @@ -43,12 +43,30 @@ The following tests are added. This test passes when all \meta{tests} pass. \itemcalendaroption{not}|=|\marg{tests} This test passes when \meta{tests} do not pass. +\itemcalendaroption{week of month}|=|\meta{num} + This test passes when the date is in \meta{num}th week of the month. + The first week of the month start at day~1 and ends with day~7. +\itemcalendaroption{week of month'}|=|\meta{num} + As above but counts from the last day of the month. + For a month with 31~days, this means the ``1st'' week starts at day~25 and ends with day~31. +\itemcalendaroption{calendar week of month}|=|\meta{num} + This test passes when the date is in \meta{num}th calendar week of the month. + The first week starts at the first day of the month and ends at the next Sunday. +\itemcalendaroption{calendar week of month'}|=|\meta{num} + As above but counts from the last day of the month. +\begin{codeexample}[width=5cm,preamble=\usetikzlibrary{ext.calendar-plus}] +\tikz + \calendar[ + dates=2022-10-01 to 2022-10-31, + week list] + if (week of month=2) [red] + if (calendar week of month'=2) [blue]; +\end{codeexample} \itemcalendaroption{yesterday}|=|\marg{tests} This test passes when the previous day passes \meta{tests}. \itemcalendaroption{week}|=|\meta{num} This test passes when the current week of the year equals \marg{num}. \end{itemize} - The shorthands for |d-| and |m-| are slightly changed so that they are expandable. This makes it possible to use these shorthands inside of \pgfname math. The shorthands for the week (see section~\ref{calendar:weeknumbering}) diff --git a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-intro.tex b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-intro.tex index f9468175cb..f9468175cb 100644 --- a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-intro.tex +++ b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-intro.tex diff --git a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-calendar-plus.tex b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-calendar-plus.tex index bdfd225f3c..bdfd225f3c 100644 --- a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-calendar-plus.tex +++ b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-calendar-plus.tex diff --git a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-misc.tex b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-misc.tex index 163097e6a1..163097e6a1 100644 --- a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-misc.tex +++ b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-misc.tex diff --git a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-node-families.tex b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-node-families.tex index d4b274511c..d4b274511c 100644 --- a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-node-families.tex +++ b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-node-families.tex diff --git a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-paths.arcto.tex b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-paths.arcto.tex index 8ed660b3a3..8ed660b3a3 100644 --- a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-paths.arcto.tex +++ b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-paths.arcto.tex diff --git a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-paths.ortho.tex b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-paths.ortho.tex index a46f6be023..ba78f47dcb 100644 --- a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-paths.ortho.tex +++ b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-paths.ortho.tex @@ -33,7 +33,7 @@ the path operations \verb!|-|! and \verb!-|-!. This operation means ``first horizontal, then vertical and then horizontal again''. \end{pathoperation} } -\begin{key}{/tikz/hvvh/ratio=\meta{ratio} (initially 0.5)} +\begin{key}{/tikz/ortho/ratio=\meta{ratio} (initially 0.5)} This sets the ratio for the middle part of the Zig-Zag connection. For values $\meta{ratio} < 0$ and $\meta{ratio} > 1$ the Zig-Zag lines will @@ -47,7 +47,7 @@ the path operations \verb!|-|! and \verb!-|-!. \end{codeexample} \end{key} %TODO: hvvh/distance needs fixing, maybe? -\begin{key}{/tikz/hvvh/distance=\meta{distance}} +\begin{key}{/tikz/ortho/distance=\meta{distance}} This sets the distance between the start point and the middle part of the Zig-Zag connection. @@ -64,7 +64,7 @@ the path operations \verb!|-|! and \verb!-|-!. \end{tikzpicture} \end{codeexample} \end{key} -\begin{key}{/tikz/hvvh/from center=\opt{\meta{true or false}} (default true)} +\begin{key}{/tikz/ortho/from center=\opt{\meta{true or false}} (default true)} When nodes get connected the placement of the middle part of the Zig-Zag and the Zig-Zig (see below) connections will be calculated from the border of these nodes. @@ -79,7 +79,7 @@ these can be configured through the following keys. foreach \p in {0.0, 0.25, 0.5, 0.75, 1.0}{ node [pos=\p] {\p}}; \end{codeexample} -\begin{key}{/tikz/hvvh/spacing=\meta{number} (initially 4)} +\begin{key}{/tikz/ortho/spacing=\meta{number} (initially 4)} Unless $\meta{number} = 0$ is set \begin{itemize} \item |pos = 0| will be at the start,\indexKeyO{pos} @@ -98,63 +98,59 @@ these can be configured through the following keys. \item |pos = .5| will still be in the middle of the middle part of the connection. \end{itemize} \end{key} -\begin{key}{/tikz/hvvh/middle 0 to 1} +\begin{key}{/tikz/ortho/middle 0 to 1} This is an alias for |spacing = 0|. \end{key} \subsection{Zig-Zig} \begin{pathoperation}{r-ud}{\opt{\oarg{options}}\meta{coordinate or cycle}} This operation means ``first up, then horizontal and then down''. - \begin{key}{/tikz/udlr/ud distance=\meta{length} (initially .5cm)} + \begin{key}{/tikz/ortho/ud distance=\meta{length} (initially .5cm)} This sets the distance between the start and the horizontal line to \meta{length}. \end{key} \end{pathoperation} \begin{pathoperation}{r-du}{\opt{\oarg{options}}\meta{coordinate or cycle}} This operation means ``first down, then horizontal and then up''. - \begin{key}{/tikz/udlr/du distance=\meta{length} (initially .5cm)} + \begin{key}{/tikz/ortho/du distance=\meta{length} (initially .5cm)} This sets the distance between the start and the horizontal line to \meta{length}. \end{key} \end{pathoperation} \begin{pathoperation}{r-lr}{\opt{\oarg{options}}\meta{coordinate or cycle}} This operation means ``left down, then vertical and then right''. - \begin{key}{/tikz/udlr/lr distance=\meta{length} (initially .5cm)} + \begin{key}{/tikz/ortho/lr distance=\meta{length} (initially .5cm)} This sets the distance between the start and the vertical line to \meta{length}. \end{key} \end{pathoperation} \begin{pathoperation}{r-rl}{\opt{\oarg{options}}\meta{coordinate or cycle}} This operation means ``first right, then vertical and then down''. - \begin{key}{/tikz/udlr/rl distance=\meta{length} (initially .5cm)} + \begin{key}{/tikz/ortho/rl distance=\meta{length} (initially .5cm)} This sets the distance between the start and the vertical line to \meta{length}. \end{key} \end{pathoperation} All distances can be set with on key. -\begin{key}{/tikz/udlr/distance=\meta{length}} - Sets all distances in the |/tikz/udlr| namespace. -\end{key} - -\begin{key}{/tikz/udlr/from center=\opt{\meta{true or false}} (initially false, default true)} - This is an alias for |/tikz/hvvh/from center|. +\begin{key}{/tikz/ortho/udlr distance=\meta{length}} + Sets all the previous distances to the same value \meta{length}. \end{key} \subsection{Even more Horizontal and Vertical Lines} The following keys can be used to access vertical and horizontal line path operations. \begin{stylekey}{/tikz/horizontal vertical} - This installs \verb!to path = -| (\tikztotarget) \tikztonodes! that can be used with\indexKeyO{to path} - the path operations |to| or |edge|. + This installs \verb!to path = -| (\tikztotarget) \tikztonodes!\indexKeyO{to path} + that can be used with the path operations |to| or |edge|. \end{stylekey} \begin{stylekey}{/tikz/vertical horizontal} - This installs \verb!to path = |- (\tikztotarget) \tikztonodes! that can be used with - the path operations |to| or |edge|. + This installs \verb!to path = |- (\tikztotarget) \tikztonodes! + that can be used with the path operations |to| or |edge|. \end{stylekey} \begin{stylekey}{/tikz/horizontal vertical horizontal} - This installs \verb!to path = -|- (\tikztotarget) \tikztonodes! that can be used with - the path operations |to| or |edge|. + This installs \verb!to path = -|- (\tikztotarget) \tikztonodes! + that can be used with the path operations |to| or |edge|. \end{stylekey} \begin{stylekey}{/tikz/vertical horizontal vertical} - This installs \verb!to path = |-| (\tikztotarget) \tikztonodes! that can be used with - the path operations |to| or |edge|. + This installs \verb!to path = |-| (\tikztotarget) \tikztonodes! + that can be used with the path operations |to| or |edge|. \end{stylekey} When connecting rectangular nodes, these keys could be useful as well. @@ -183,3 +179,21 @@ it connects to the start point in the center (or at its border in case it is a n The optional \meta{length} can be used to shift the line orthogonally to its direction. \end{stylekey} + +\pagebreak +Since all previous key are rather cumbersome, one can install shortcuts for these. +\begin{stylekey}{/tikz/ortho/install shortcuts} +Installs the following shortcuts:\\ +{\ttfamily +\begin{tabular}{l@{\hspace{.5em}${}\to{}$\hspace{.5em}}l} + \pgfmanualbar- & vertical horizontal \\ + -\pgfmanualbar & horizontal vertical \\ + -\pgfmanualbar- & horizontal vertical horizontal \\ + \pgfmanualbar-\pgfmanualbar & vertical horizontal vertical \\ + \pgfmanualbar* & only vertical first \\ + *\pgfmanualbar & only vertical second \\ + \pgfmanualbar* & only vertical first \\ + *\pgfmanualbar & only vertical second +\end{tabular} +} +\end{stylekey} diff --git a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-paths.timer.tex b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-paths.timer.tex index 595a647917..595a647917 100644 --- a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-paths.timer.tex +++ b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-paths.timer.tex diff --git a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-patterns.images.tex b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-patterns.images.tex index c3c38a8517..c3c38a8517 100644 --- a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-patterns.images.tex +++ b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-patterns.images.tex diff --git a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-positioning-plus.tex b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-positioning-plus.tex index 56c81376aa..56c81376aa 100644 --- a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-positioning-plus.tex +++ b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-positioning-plus.tex diff --git a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-topaths.arcthrough.tex b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-topaths.arcthrough.tex index 1d9e5ba9df..1d9e5ba9df 100644 --- a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-topaths.arcthrough.tex +++ b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-topaths.arcthrough.tex diff --git a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-trans.tex b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-trans.tex index 97011bc4d0..97011bc4d0 100644 --- a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-library-trans.tex +++ b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-library-trans.tex diff --git a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-main-body.tex b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-main-body.tex index 1185cdb6d7..fd071e009e 100644 --- a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-main-body.tex +++ b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-main-body.tex @@ -8,7 +8,7 @@ % 2. under the GNU Free Documentation License. % \newcommand*\tikzextname{Ti\textit kZ-Extensions} -\newcommand*\tikzextversion{0.3} +\newcommand*\tikzextversion{0.4} \begin{document} {\colorlet{blue}{black}% links shall be black \title{\bfseries The \tikzextname\space Package\\ @@ -167,6 +167,19 @@ These libraries (should) work with both \pgfname\space and \tikzname. \section*{Changelog}\addcontentsline{toc}{section}{Changelog} \begin{multicols}{2}\raggedright \noindent +Version 0.4 +\begin{itemize} +\item CTAN version of 0.3.1 +\end{itemize} +Version 0.3.1 +\begin{itemize} +\item Fixed |ext.paths.ortho| keys |only vertical first| and |only horizontal first|. +\item Moved all (except the |to path|s) to namespace |/tikz/ortho|. + |/tikz/hvvh| and |/tikz/udlr| are considered deprecated. +\item Fixed |\pgfcalendarjulianyeartoweek|. +\item Added more calendar tests. +\item Added directory structure. +\end{itemize} Version 0.3 \begin{itemize} \item \addShape[circle arrow]{circlearrow} @@ -199,6 +212,17 @@ Version 0.1 \end{multicols} \printindex +\makeatletter +\def\url#1{% + \in@{/16595}{#1}% + \ifin@ + \hyper@linkurl{\expandafter\Hurl\expandafter{\strip@url#1\relax}}{#1}% + \else + \hyper@linkurl{\Hurl{#1}}{#1}% + \fi +} +\def\strip@url#1/16595\relax{#1} +\makeatother \printbibliography[heading=bibintoc] %\typeout{Examples: \the\codeexamplecount}% \end{document}
\ No newline at end of file diff --git a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-main-preamble.tex b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-main-preamble.tex index 494d63e012..494d63e012 100644 --- a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-main-preamble.tex +++ b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-main-preamble.tex diff --git a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-pgf-shapes-circlearrow.tex b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-pgf-shapes-circlearrow.tex index e26711bb35..e26711bb35 100644 --- a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-pgf-shapes-circlearrow.tex +++ b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-pgf-shapes-circlearrow.tex diff --git a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-pgf-shapes-circlecrosssplit.tex b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-pgf-shapes-circlecrosssplit.tex index e7b2b9ba5a..e7b2b9ba5a 100644 --- a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-pgf-shapes-circlecrosssplit.tex +++ b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-pgf-shapes-circlecrosssplit.tex diff --git a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-pgf-shapes-heatmark.tex b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-pgf-shapes-heatmark.tex index fa13cb0000..fa13cb0000 100644 --- a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-pgf-shapes-heatmark.tex +++ b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-pgf-shapes-heatmark.tex diff --git a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-pgf-shapes-rectround.tex b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-pgf-shapes-rectround.tex index 78bab76925..78bab76925 100644 --- a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-pgf-shapes-rectround.tex +++ b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-pgf-shapes-rectround.tex diff --git a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-pgf-shapes-superellipse.tex b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-pgf-shapes-superellipse.tex index 580ef0d93f..580ef0d93f 100644 --- a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-pgf-shapes-superellipse.tex +++ b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-pgf-shapes-superellipse.tex diff --git a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-pgf-trans.tex b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-pgf-trans.tex index ccd378a6e7..ccd378a6e7 100644 --- a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual-en-pgf-trans.tex +++ b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual-en-pgf-trans.tex diff --git a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual.bib b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual.bib index 7bb85bf7b2..5a13e91d41 100644 --- a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual.bib +++ b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual.bib @@ -296,4 +296,27 @@ year = {2013}, } +' +@Online{CalFullWeek-Q, + author = {jd6}, + file = {Snapshot:https\://tex.stackexchange.com/questions/576673/full-weeks-in-tikz-calendar/660335#660335:text/html}, + month = dec, + title = {Full weeks in Tikz Calendar}, + titleaddon = {{TeX} - {LaTeX} Stack Exchange}, + url = {https://tex.stackexchange.com/q/576673/16595}, + urldate = {2022-10-09}, + year = {2020}, +} + +@Online{CalFullWeek-A, + author = {Qrrbrbirlbel}, + file = {Snapshot:https\://tex.stackexchange.com/questions/576673/full-weeks-in-tikz-calendar/660335#660335:text/html}, + month = oct, + title = {Answer to \enquote{Full weeks in Tikz Calendar}}, + titleaddon = {{TeX} - {LaTeX} Stack Exchange}, + url = {https://tex.stackexchange.com/a/660335/16595}, + urldate = {2022-10-09}, + year = {2022}, +} + @Comment{jabref-meta: databaseType:bibtex;} diff --git a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual.pdf b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual.pdf Binary files differindex afeef21a22..f4a31a8c6a 100644 --- a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual.pdf +++ b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual.pdf diff --git a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual.tex b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual.tex index 1f2400847a..253944ca7d 100644 --- a/graphics/pgf/contrib/tikz-ext/doc/tikz-ext-manual.tex +++ b/graphics/pgf/contrib/tikz-ext/doc/generic/tikz-ext/tikz-ext-manual.tex @@ -11,12 +11,8 @@ % \documentclass[a4paper,doc2,landscape]{ltxdoc} - \input{tikz-ext-manual-en-main-preamble.tex} \usetikzlibrary{external} -%\newif\iftikzextmanualexternalize -%\tikzextmanualexternalizetrue -%\iftikzextmanualexternalize \tikzexternalize[ prefix=tikz/, % mode=convert with system call, @@ -24,9 +20,9 @@ %mode=list only,export=true,% simply skips EVERY picture -> good for debugging the text. ] \tikzexternalenable - \tikzifexternalizing{% - \pgfkeys{/pdflinks/codeexample links=false}% - }{}% -%\fi +% \tikzexternaldisable + \tikzifexternalizing{ + \pgfkeys{/pdflinks/codeexample links=false} + }{} \input{tikz-ext-manual-en-main-body.tex} diff --git a/graphics/pgf/contrib/tikz-ext/pgfcalendar-ext.code.tex b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/pgfcalendar-ext.code.tex index b32ac9a3a6..90b42a0011 100644 --- a/graphics/pgf/contrib/tikz-ext/pgfcalendar-ext.code.tex +++ b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/pgfcalendar-ext.code.tex @@ -26,6 +26,24 @@ \expandafter \endgroup\pgf@cal@temp }, + relative/.code 2 args={% + \begingroup + \pgfutil@tempcnta=\pgfcalendarifdatejulian\relax + \advance\pgfutil@tempcnta by #1\relax + \pgfcalendarjuliantodate{\pgfutil@tempcnta}{\pgfcalendarifdateyear}{\pgfcalendarifdatemonth}{\pgfcalendarifdateday}% + \edef\pgfcalendarifdatejulian{\the\pgfutil@tempcnta}% + \pgfcalendarjuliantoweekday\pgfutil@tempcnta\pgfutil@tempcntb + \edef\pgfcalendarifdateweekday{\the\pgfutil@tempcntb}% + \pgfcalendarjulianyeartoweek\pgfutil@tempcnta\pgfcalendarifdateyear\pgfutil@tempcntb + \edef\pgfcalendarifdateweek{\the\pgfutil@tempcntb}% + \pgfcalendar@launch@ifdate{#2}{% + \def\pgf@cal@temp{\pgfcalendarmatchestrue}% + }{% + \let\pgf@cal@temp\pgfutil@empty + }% + \expandafter + \endgroup\pgf@cal@temp + }, Jan/.code={\ifnum\pgfcalendarifdatemonth=1 \expandafter\pgfcalendarmatchestrue\fi},Jan/.value forbidden, Feb/.code={\ifnum\pgfcalendarifdatemonth=2 \expandafter\pgfcalendarmatchestrue\fi},Feb/.value forbidden, Mar/.code={\ifnum\pgfcalendarifdatemonth=3 \expandafter\pgfcalendarmatchestrue\fi},Mar/.value forbidden, @@ -39,20 +57,6 @@ Nov/.code={\ifnum\pgfcalendarifdatemonth=11 \expandafter\pgfcalendarmatchestrue\fi},Nov/.value forbidden, Dec/.code={\ifnum\pgfcalendarifdatemonth=12 \expandafter\pgfcalendarmatchestrue\fi},Dec/.value forbidden, % - difference between/.code args={#1and#2 #3 #4}{% - \pgfcalendardatetojulian{#1}\pgfutil@tempcnta - \pgfcalendardatetojulian{#2}\pgfutil@tempcntb - \advance\pgfutil@tempcntb by -\pgfutil@tempcnta - \ifnum\pgfutil@tempcntb#3#4\relax - \pgfcalendarmatchestrue - \fi}, - weekday before or same/.code args={#1and#2}{% - \pgfcalendarjuliantoweekday{#1}\pgfutil@tempcnta - \pgfcalendarjuliantoweekday{#2}\pgfutil@tempcntb - \ifnum\pgfutil@tempcntb<\pgfutil@tempcnta - \pgfcalendarmatchestrue - \fi - }, leap year/.code={% \pgfutil@tempcnta=#1\relax \divide\pgfutil@tempcnta4 @@ -71,6 +75,7 @@ \fi \fi}, leap year/.default=\pgfcalendarifdateyear, + between days/.value required, between days/.code args={#1and#2}{% \pgfutil@tempcnta=#1\relax \ifnum\pgfcalendarifdateday<\pgfutil@tempcnta\else @@ -135,8 +140,31 @@ \pgfcalendar@launch@ifdate{\pgfkeyscurrentname={#1}}% {\let\pgf@cal@temp\pgfutil@empty}{\def\pgf@cal@temp{\pgfcalendarmatchesfalse}} \expandafter\endgroup\pgf@cal@temp - }% -} + },% + calendar week of month/.default=1, + calendar week of month'/.default=1, + calendar week of month/.code={% + \begingroup + \pgfutil@tempcnta=\pgfcalendarifdateday\relax + \advance\pgfutil@tempcnta by 5 + \advance\pgfutil@tempcnta by -\pgfcalendarifdateweekday\relax + \divide\pgfutil@tempcnta by 7 + \advance\pgfutil@tempcnta by -#1\relax + \expandafter\endgroup\expandafter + \ifnum\the\pgfutil@tempcnta=-1 + \pgfcalendarmatchestrue + \fi}, + calendar week of month'/.code={% + \begingroup + \pgfcalendar@getlastYMX\pgfcalendarifdateyear\pgfcalendarifdatemonth\pgfutil@tempcnta + \advance\pgfutil@tempcnta by -\pgfcalendarifdateday\relax + \edef\pgfcalendarifdateday{\the\pgfutil@tempcnta}% + \pgfutil@tempcnta=-\pgfcalendarifdateweekday\relax + \advance\pgfutil@tempcnta by 5 + \edef\pgfcalendarifdateweekday{\the\pgfutil@tempcnta}% + \let\pgf@cal@temp\pgfutil@empty + \pgfcalendar@launch@ifdate{calendar week of month={#1}}{\def\pgf@cal@temp{\pgfcalendarmatchestrue}}{}% + \expandafter\endgroup\pgf@cal@temp}} \def\pgfcalendar@ifdate@first#1#2:#3\pgf@stop{% \pgfqkeys{/pgf/calendar}{and={#3, week of month#1={#2}}}} @@ -178,9 +206,8 @@ \advance\pgfutil@tempcnta by 7\relax \fi % setup macro for year with {Julian number for day of first week}{weekday of -01-01} - \edef\pgf@cal@temp{\def\expandafter\noexpand\csname pgfcalendar@week@#1\endcsname - {{\the\pgfutil@tempcnta}{\the\pgfutil@tempcntb}}}% - \expandafter\endgroup\pgf@cal@temp + \expandafter\xdef\csname pgfcalendar@week@#1\endcsname{{\the\pgfutil@tempcnta}{\the\pgfutil@tempcntb}}% + \endgroup }{}% } @@ -211,12 +238,12 @@ {% we need to check the week of the previous year #3=#2\relax \advance#3 by -1 - \edef\pgf@cal@temp{\noexpand\pgfcalendarjulianyeartoweek@#1{\the#3}#3\noexpand\iffalse}% + \edef\pgf@cal@temp{\noexpand\pgfcalendarjulianyeartoweek@{#1}{\the#3}{#3}\noexpand\iffalse}% \pgf@cal@temp }{% yeah, it's weird \divide#3 by 7 \advance#3 by 1 - } + }% }{% \divide#3 by 7 \advance#3 by 1 @@ -315,6 +342,22 @@ \let\pgfcalendarifdateweek=\pgfcalendarcurrentweek \pgfcalendar@launch@ifdate% } +% +% Overwritigin original \pgfcalendarifdate +% +\def\pgfcalendarifdate#1#2#3#4{% + \pgfcalendardatetojulian{#1}{\pgfutil@tempcnta}% + \pgfcalendarjuliantodate{\pgfutil@tempcnta} + {\pgfcalendarifdateyear}{\pgfcalendarifdatemonth}{\pgfcalendarifdateday}% + \edef\pgfcalendarifdatejulian{\the\pgfutil@tempcnta}% + % Compute info about date + \pgfcalendarjuliantoweekday{\pgfutil@tempcnta}{\pgfutil@tempcntb}% + \edef\pgfcalendarifdateweekday{\the\pgfutil@tempcntb}% + \pgfcalendarjulianyeartoweek{\pgfcalendarifdatejulian}{\pgfcalendarifdateyear}{\pgfutil@tempcntb}% + \edef\pgfcalendarifdateweek{\ifnum\pgfutil@tempcntb<10 0\fi\the\pgfutil@tempcntb}% + % + \pgfcalendar@launch@ifdate{#2}{#3}{#4}% +} \pgfqkeys{/pgf/calendar/week}{.value required,.code=\ifnum#1=\pgfcalendarifdateweek\relax\expandafter\pgfcalendarmatchestrue\fi} diff --git a/graphics/pgf/contrib/tikz-ext/pgflibraryext.shapes.circlearrow.code.tex b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/pgflibraryext.shapes.circlearrow.code.tex index 9eb1c6ab09..9eb1c6ab09 100644 --- a/graphics/pgf/contrib/tikz-ext/pgflibraryext.shapes.circlearrow.code.tex +++ b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/pgflibraryext.shapes.circlearrow.code.tex diff --git a/graphics/pgf/contrib/tikz-ext/pgflibraryext.shapes.circlecrosssplit.code.tex b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/pgflibraryext.shapes.circlecrosssplit.code.tex index 7bc2761fb4..7bc2761fb4 100644 --- a/graphics/pgf/contrib/tikz-ext/pgflibraryext.shapes.circlecrosssplit.code.tex +++ b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/pgflibraryext.shapes.circlecrosssplit.code.tex diff --git a/graphics/pgf/contrib/tikz-ext/pgflibraryext.shapes.heatmark.code.tex b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/pgflibraryext.shapes.heatmark.code.tex index 477d0442da..477d0442da 100644 --- a/graphics/pgf/contrib/tikz-ext/pgflibraryext.shapes.heatmark.code.tex +++ b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/pgflibraryext.shapes.heatmark.code.tex diff --git a/graphics/pgf/contrib/tikz-ext/pgflibraryext.shapes.rectangleroundedcorners.code.tex b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/pgflibraryext.shapes.rectangleroundedcorners.code.tex index 37baf7abbf..37baf7abbf 100644 --- a/graphics/pgf/contrib/tikz-ext/pgflibraryext.shapes.rectangleroundedcorners.code.tex +++ b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/pgflibraryext.shapes.rectangleroundedcorners.code.tex diff --git a/graphics/pgf/contrib/tikz-ext/pgflibraryext.shapes.superellipse.code.tex b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/pgflibraryext.shapes.superellipse.code.tex index 9a89b5a8a6..9a89b5a8a6 100644 --- a/graphics/pgf/contrib/tikz-ext/pgflibraryext.shapes.superellipse.code.tex +++ b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/pgflibraryext.shapes.superellipse.code.tex diff --git a/graphics/pgf/contrib/tikz-ext/pgflibraryext.transformations.mirror.code.tex b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/pgflibraryext.transformations.mirror.code.tex index 4d962ccb1c..4d962ccb1c 100644 --- a/graphics/pgf/contrib/tikz-ext/pgflibraryext.transformations.mirror.code.tex +++ b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/pgflibraryext.transformations.mirror.code.tex diff --git a/graphics/pgf/contrib/tikz-ext/tikzlibraryext.calendar-plus.code.tex b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.calendar-plus.code.tex index 195ecf9414..195ecf9414 100644 --- a/graphics/pgf/contrib/tikz-ext/tikzlibraryext.calendar-plus.code.tex +++ b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.calendar-plus.code.tex diff --git a/graphics/pgf/contrib/tikz-ext/tikzlibraryext.misc.code.tex b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.misc.code.tex index 830b3513e5..830b3513e5 100644 --- a/graphics/pgf/contrib/tikz-ext/tikzlibraryext.misc.code.tex +++ b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.misc.code.tex diff --git a/graphics/pgf/contrib/tikz-ext/tikzlibraryext.node-families.code.tex b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.node-families.code.tex index 699170d178..c0ecda441a 100644 --- a/graphics/pgf/contrib/tikz-ext/tikzlibraryext.node-families.code.tex +++ b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.node-families.code.tex @@ -290,7 +290,7 @@ \ifdim\wd\pgfnodeparttextbox<\pgfutil@tempdima \pgfutil@tempdimb=\pgfutil@tempdima \advance\pgfutil@tempdimb-\wd\pgfnodeparttextbox - \setbox\pgfnodeparttextbox=\hbox to \pgfutil@tempdima{\tikzext@nf@align@action\pgfutil@tempdimb\box\pgfnodeparttextbox}% + \setbox\pgfnodeparttextbox=\hbox to \pgfutil@tempdima{\tikzext@nf@align@action\pgfutil@tempdimb\unhbox\pgfnodeparttextbox}% \fi \tikzext@nf@getandset{\the\dp\pgfnodeparttextbox}{text depth}{\pgfutil@tempdima}% \ifdim\dp\pgfnodeparttextbox<\pgfutil@tempdima diff --git a/graphics/pgf/contrib/tikz-ext/tikzlibraryext.node-families.shapes.geometric.code.tex b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.node-families.shapes.geometric.code.tex index 58384960a8..58384960a8 100644 --- a/graphics/pgf/contrib/tikz-ext/tikzlibraryext.node-families.shapes.geometric.code.tex +++ b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.node-families.shapes.geometric.code.tex diff --git a/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.paths.arcto.code.tex b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.paths.arcto.code.tex new file mode 100644 index 0000000000..c75f31b60a --- /dev/null +++ b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.paths.arcto.code.tex @@ -0,0 +1,326 @@ +% Copyright 2022 by Qrrbrbirlbel +% +% This file may be distributed and/or modified +% +% 1. under the LaTeX Project Public License and/or +% 2. under the GNU Free Documentation License. +% +\tikzset{ + arc to/.code=\pgfqkeys{/tikz/arc to}{#1}, + arc to={ + counter clockwise/.code=\pgfkeyssetvalue{/tikz/arc to/ccw flag}{1}, + clockwise/.code=\pgfkeyssetvalue{/tikz/arc to/ccw flag}{0}, + x radius/.code=\pgfkeyssetvalue{/tikz/x radius}{#1}, + y radius/.code=\pgfkeyssetvalue{/tikz/y radius}{#1}, + radius/.code=\pgfkeyssetvalue{/tikz/x radius}{#1}\pgfkeyssetvalue{/tikz/y radius}{#1}, + large/.code=\pgfkeyssetvalue{/tikz/arc to/large flag}{1}, + small/.code=\pgfkeyssetvalue{/tikz/arc to/large flag}{0}, + % defaults + rotate/.initial=0, counter clockwise, small, + counter clockwise/.value forbidden, + clockwise/.value forbidden, + large/.value forbidden, + small/.value forbidden}} +\def\tikz@arcA rc{\pgfutil@ifnextchar t% + {\tikz@flush@moveto\expandafter\expandafter\expandafter\tikz@arcB@cont\expandafter\pgfutil@gobble\pgfutil@gobble} + {\tikz@flush@moveto\tikz@arc@cont}} +\def\tikz@arcB@cont{% + \pgfutil@ifnextchar[\tikz@@do@arcB{ + \advance\tikz@expandcount by -10\relax% go down quickly + \ifnum\tikz@expandcount<0\relax% + \def\@next{\tikz@@do@arcB[]}% + \else% + \def\@next{\expandafter\tikz@arcB@cont}% + \fi% + \@next}}% +\def\tikz@@do@arcB[#1]{% + \def\tikz@arcB@options{#1}% + \tikz@do@@arcB} +\def\tikz@do@@arcB{% + \pgfutil@ifnextchar n{\tikz@collect@label@onpath\tikz@do@@arcB} + {\pgfutil@ifnextchar c{\tikz@collect@coordinate@onpath\tikz@do@@arcB} + {\pgfutil@ifnextchar p{\tikz@collect@pic@onpath\tikz@do@@arcB} + {\tikz@scan@one@point\tikz@do@arcB}}}} + +\def\tikz@do@arcB#1{% + \edef\tikz@timer@start{\noexpand\pgfqpoint{\the\tikz@lastx}{\the\tikz@lasty}} + \tikz@make@last@position{#1}% + \edef\tikz@timer@end{\noexpand\pgfqpoint{\the\tikz@lastx}{\the\tikz@lasty}}% + \iftikz@shapeborder + \edef\tikz@moveto@waiting{\tikz@shapeborder@name}% + \fi + \begingroup + \tikzset{every arc/.try,every arc to/.try,arc to/.expand once=\tikz@arcB@options}% + \pgfmathsetmacro\tikz@arc@x{\pgfkeysvalueof{/tikz/x radius}}% + \ifpgfmathunitsdeclared + \pgfmathsetmacro\tikz@arc@y{\pgfkeysvalueof{/tikz/y radius}}% + \ifpgfmathunitsdeclared + \tikzext@pgfpatharcto{\tikz@arc@x pt}{\tikz@arc@y pt} + {\pgfkeysvalueof{/tikz/arc to/rotate}}{\pgfkeysvalueof{/tikz/arc to/large flag}} + {\pgfkeysvalueof{/tikz/arc to/ccw flag}}{#1}% + \else + \tikzerror{You cannot mix dimensions and dimension values in an arc}% + \fi + \else + \pgfmathsetmacro\tikz@arc@y{\pgfkeysvalueof{/tikz/y radius}}% + \ifpgfmathunitsdeclared + \tikzerror{You cannot mix dimensions and dimension values in an arc}% + \else + \pgf@process{\pgfpointxy{\tikz@arc@x}{0}}% + \pgfmathveclen@{\pgf@sys@tonumber\pgf@x}{\pgf@sys@tonumber\pgf@y}% + \let\tikz@arc@x\pgfmathresult + \pgf@process{\pgfpointxy{0}{\tikz@arc@y}}% + \pgfmathveclen@{\pgf@sys@tonumber\pgf@x}{\pgf@sys@tonumber\pgf@y}% + \let\tikz@arc@y\pgfmathresult + \tikzext@pgfpatharcto{+\tikz@arc@x pt}{+\tikz@arc@y pt} + {\pgfkeysvalueof{/tikz/arc to/rotate}}{\pgfkeysvalueof{/tikz/arc to/large flag}} + {\pgfkeysvalueof{/tikz/arc to/ccw flag}}{#1}% + \fi + \fi + \endgroup + % check whether \pgf@marshall starts with \pgfpathlineto + \pgfutil@ifxempty\pgf@marshal{}{% + \edef\tikz@temp{\expandafter\expandafter\expandafter\noexpand\expandafter\pgfutil@firstgobblerest\pgf@marshal\relax}% + \expandafter\let\expandafter\tikz@temp\tikz@temp + \pgfutil@ifx\tikz@temp\pgfpathlineto{}{% + % getting rid of \pgfpatharcaxes inside \pgf@marshal + \expandafter\expandafter\expandafter\def\expandafter\expandafter\expandafter\pgf@marshal + \expandafter\expandafter\expandafter{\expandafter\pgfutil@gobble\pgf@marshal}% + % extracting the other four values needed for the timer + \edef\tikz@timer@start@angle{\expandafter\pgfutil@firstoffour\pgf@marshal}% + \edef\tikz@timer@end@angle{\expandafter\pgfutil@secondoffour\pgf@marshal}% + \pgfextract@process\tikz@timer@zero@axis{\expandafter\pgfutil@thirdoffour\pgf@marshal}% + \pgfextract@process\tikz@timer@ninety@axis{\expandafter\pgfutil@fourthoffour\pgf@marshal}% + % + \let\tikz@timer=\tikz@timer@arc + }% + }% + \tikz@scan@next@command +} +\def\pgfutil@firstoffour#1#2#3#4{#1} +\def\pgfutil@secondoffour#1#2#3#4{#2} +\def\pgfutil@thirdoffour#1#2#3#4{#3} +\def\pgfutil@fourthoffour#1#2#3#4{#4} +\def\pgfutil@firstgobblerest#1#2\relax{#1} + +% original from pgfcorepathconstruct.code.tex +\def\tikzext@pgfpatharcto#1#2#3#4#5#6{% + {% + % The following code is based on the transformation described in svg + % 1.1 specification Section F.6.5 + % + % Step 1: store the simple parameters (xa=x1 since TeX does not + % allow numbers in names) + % + \pgfmathsetmacro\pgf@arcto@rx{abs(#1)}% + \pgfmathsetmacro\pgf@arcto@ry{abs(#2)}% + \ifdim\pgf@arcto@rx pt=0pt% special rule: zero radius=straight line + \gdef\pgf@marshal{\pgfpathlineto{#6}}% + \else + \ifdim\pgf@arcto@ry pt=0pt% special rule: zero radius=straight line + \gdef\pgf@marshal{\pgfpathlineto{#6}}% + \else + \pgfmathsetmacro\pgf@arcto@phi{#3}% + \pgfmathsetmacro\pgf@arcto@fA{#4}% + \ifdim\pgf@arcto@fA pt=0pt + \else + \pgfmathsetmacro\pgf@arcto@fA{1.0}% Special rule: every non-zero value is 1. + \fi + \pgfmathsetmacro\pgf@arcto@fS{#5}% + \ifdim\pgf@arcto@fS pt=0pt + \else + \pgfmathsetmacro\pgf@arcto@fS{1.0}% Special rule: every non-zero value is 1. + \fi + \pgf@process{#6}% + \edef\pgf@arcto@xb{\the\pgf@x}% + \edef\pgf@arcto@yb{\the\pgf@y}% + % + % Step 2: x1,y1 is more complicated to compute: It is given by lastx + % and lasty, but these are transformed coordinates, we need the + % untransformed ones. So, we inverse the transformation (arghh...) + % + \pgftransforminvert% + \pgf@process{\pgfpointtransformed{\pgfqpoint{\pgf@path@lastx}{\pgf@path@lasty}}}% + \edef\pgf@arcto@xa{\the\pgf@x}% + \edef\pgf@arcto@ya{\the\pgf@y}% + \edef\pgf@temp@a{\pgf@arcto@xa,\pgf@arcto@ya}% + \edef\pgf@temp@b{\pgf@arcto@xb,\pgf@arcto@yb}% + \ifx\pgf@temp@a\pgf@temp@b% special rule: skip! + \global\let\pgf@marshal\pgfutil@empty + \else + % + % Ok, now we got all the parameters setup. Now comes the + % computation... + % + % + % Step 3: Start with a new coordinate system and rotate everything + % by the negated phi. + % + \pgftransformreset + \pgftransformrotate{-\pgf@arcto@phi}% + % Ok, using \pgfpointtransformed we now get transformed points... + % + % Step 4: Compute x1' and y1' (xaprime and yaprime) + % + \pgf@process{% + \pgfpointtransformed{\pgfpointscale{.5}{\pgfpointdiff + {\pgfqpoint{\pgf@arcto@xb}{\pgf@arcto@yb}} + {\pgfqpoint{\pgf@arcto@xa}{\pgf@arcto@ya}}% + }% + }% + }% + \edef\pgf@arcto@xaprime{\pgf@sys@tonumber\pgf@x}% + \edef\pgf@arcto@yaprime{\pgf@sys@tonumber\pgf@y}% + % + % Compute Lambda + % + \pgfmathsetmacro\pgf@arcto@frac@x{\pgf@arcto@xaprime/\pgf@arcto@rx}% + \pgfmathsetmacro\pgf@arcto@frac@y{\pgf@arcto@yaprime/\pgf@arcto@ry}% + \pgfmathsetmacro\pgf@arcto@lambda{ + \pgf@arcto@frac@x*\pgf@arcto@frac@x+\pgf@arcto@frac@y*\pgf@arcto@frac@y + }% + \ifdim\pgf@arcto@lambda pt>1pt + \pgfmathsetmacro\pgf@arcto@sqrt@lambda{sqrt(\pgf@arcto@lambda)}% + \pgfmathsetmacro\pgf@arcto@rx{\pgf@arcto@sqrt@lambda*\pgf@arcto@rx}% + \pgfmathsetmacro\pgf@arcto@ry{\pgf@arcto@sqrt@lambda*\pgf@arcto@ry}% + \fi + % + % Do some scaling + % + \pgfmathsetmacro\pgf@arcto@xaprime@abs{abs(\pgf@arcto@xaprime)}% + \pgfmathsetmacro\pgf@arcto@yaprime@abs{abs(\pgf@arcto@yaprime)}% + \pgfmathmax@{\pgf@arcto@rx,\pgf@arcto@ry,\pgf@arcto@xaprime@abs,\pgf@arcto@yaprime@abs}% + \pgfmathsetmacro\pgf@arcto@scaling{20/\pgfmathresult}% + \pgfmathsetmacro\pgf@arcto@rx@scaled{\pgf@arcto@scaling*\pgf@arcto@rx}% + \pgfmathsetmacro\pgf@arcto@ry@scaled{\pgf@arcto@scaling*\pgf@arcto@ry}% + \pgfmathsetmacro\pgf@arcto@xaprime@scaled{\pgf@arcto@scaling*\pgf@arcto@xaprime}% + \pgfmathsetmacro\pgf@arcto@yaprime@scaled{\pgf@arcto@scaling*\pgf@arcto@yaprime}% + % + % Step 5: Now comes the messy computation of c1' and c2'. + % + \ifdim\pgf@arcto@rx pt>\pgf@arcto@ry pt + \pgfmathsetmacro\pgf@arcto@rx@over@ry{\pgf@arcto@rx/\pgf@arcto@ry}% + \pgfmathsetmacro\pgf@arcto@ry@over@rx{\pgf@arcto@ry/\pgf@arcto@rx}% + \pgfmathsetmacro\pgf@arcto@temp{\pgf@arcto@ry@over@rx*\pgf@arcto@xaprime@scaled}% + \pgfmathsetmacro\pgf@arcto@numerator{ + \pgf@arcto@ry@scaled*\pgf@arcto@ry@scaled- + \pgf@arcto@yaprime@scaled*\pgf@arcto@yaprime@scaled- + \pgf@arcto@temp*\pgf@arcto@temp + }% + \pgfmathsetmacro\pgf@arcto@denominator{ + \pgf@arcto@yaprime@scaled*\pgf@arcto@yaprime@scaled+ + \pgf@arcto@temp*\pgf@arcto@temp + }% + \else + \pgfmathsetmacro\pgf@arcto@rx@over@ry{\pgf@arcto@rx/\pgf@arcto@ry}% + \pgfmathsetmacro\pgf@arcto@ry@over@rx{\pgf@arcto@ry/\pgf@arcto@rx}% + \pgfmathsetmacro\pgf@arcto@temp{\pgf@arcto@rx@over@ry*\pgf@arcto@yaprime@scaled}% + \pgfmathsetmacro\pgf@arcto@numerator{ + \pgf@arcto@rx@scaled*\pgf@arcto@rx@scaled- + \pgf@arcto@xaprime@scaled*\pgf@arcto@xaprime@scaled- + \pgf@arcto@temp*\pgf@arcto@temp + }% + \pgfmathsetmacro\pgf@arcto@denominator{ + \pgf@arcto@xaprime@scaled*\pgf@arcto@xaprime@scaled+ + \pgf@arcto@temp*\pgf@arcto@temp + }% + \fi + \pgfmathsetmacro\pgf@arcto@frac{ + \pgf@arcto@numerator/\pgf@arcto@denominator + }% + \ifdim\pgf@arcto@frac pt<0pt + \pgfmathsetmacro\pgf@arcto@factor{0}% + \else + \pgfmathsetmacro\pgf@arcto@factor{sqrt(\pgf@arcto@frac)}% + \fi + \ifx\pgf@arcto@fA\pgf@arcto@fS + \pgfmathsetmacro\pgf@arcto@factor{-\pgf@arcto@factor}% + \fi + \pgfmathsetmacro\pgf@arcto@cxprime{ + \pgf@arcto@factor*\pgf@arcto@rx@over@ry*\pgf@arcto@yaprime + }% + \pgfmathsetmacro\pgf@arcto@cyprime{ + -\pgf@arcto@factor*\pgf@arcto@ry@over@rx*\pgf@arcto@xaprime + }% + % + % Step 6: Ok, now compute cx,cy + % + \pgftransformreset + \pgftransformrotate{\pgf@arcto@phi}% + \pgf@process{% + \pgfpointtransformed{\pgfqpoint{\pgf@arcto@cxprime pt}{\pgf@arcto@cyprime pt}}% + }% + \edef\pgf@arcto@temp{\noexpand\pgfqpoint{\the\pgf@x}{\the\pgf@y}}% + \pgf@process{\pgfpointadd{\pgf@arcto@temp}{% + \pgfpointscale{.5}{% + \pgfpointadd + {\pgfqpoint{\pgf@arcto@xa}{\pgf@arcto@ya}} + {\pgfqpoint{\pgf@arcto@xb}{\pgf@arcto@yb}}}% + }% + }% + \edef\pgf@arcto@cx{\the\pgf@x}% + \edef\pgf@arcto@cy{\the\pgf@y}% + % + % Step 7: Compute start angle: + % + \pgfmathsetmacro\pgf@arcto@vec@x{(\pgf@arcto@xaprime-\pgf@arcto@cxprime)/\pgf@arcto@rx}% + \pgfmathsetmacro\pgf@arcto@vec@y{(\pgf@arcto@yaprime-\pgf@arcto@cyprime)/\pgf@arcto@ry}% + \pgfmathsetmacro\pgf@arcto@denominator{veclen(\pgf@arcto@vec@x,\pgf@arcto@vec@y)}% + \pgfmathsetmacro\pgf@arcto@frac{\pgf@arcto@vec@x/\pgf@arcto@denominator}% + \pgfmathsetmacro\pgf@arcto@theta@start{acos(\pgf@arcto@frac)}% + \ifdim\pgf@arcto@vec@y pt<0pt + \pgfmathsetmacro\pgf@arcto@theta@start{-\pgf@arcto@theta@start}% + \fi + % + % Step 8: Compute end angle: + % + \pgfmathsetmacro\pgf@arcto@vec@x{(-\pgf@arcto@xaprime-\pgf@arcto@cxprime)/\pgf@arcto@rx}% + \pgfmathsetmacro\pgf@arcto@vec@y{(-\pgf@arcto@yaprime-\pgf@arcto@cyprime)/\pgf@arcto@ry}% + \pgfmathsetmacro\pgf@arcto@denominator{veclen(\pgf@arcto@vec@x,\pgf@arcto@vec@y)}% + \pgfmathsetmacro\pgf@arcto@frac{\pgf@arcto@vec@x/\pgf@arcto@denominator}% + \pgfmathsetmacro\pgf@arcto@theta@end{acos(\pgf@arcto@frac)}% + \ifdim\pgf@arcto@vec@y pt<0pt + \pgfmathsetmacro\pgf@arcto@theta@end{-\pgf@arcto@theta@end}% + \fi + \pgfmathsetmacro\pgf@arcto@delta@theta{abs(\pgf@arcto@theta@start-\pgf@arcto@theta@end)}% + \ifdim\pgf@arcto@fA pt=0pt + \ifdim\pgf@arcto@delta@theta pt>180pt + % Ok, we need to adjust the angle! + \ifdim\pgf@arcto@theta@end pt>\pgf@arcto@theta@start pt + \pgfmathsetmacro\pgf@arcto@theta@end{\pgf@arcto@theta@end-360}% + \else + \pgfmathsetmacro\pgf@arcto@theta@end{\pgf@arcto@theta@end+360}% + \fi + \fi + \else + \ifdim\pgf@arcto@delta@theta pt<180pt + % Ok, we need to adjust the angle! + \ifdim\pgf@arcto@theta@end pt>\pgf@arcto@theta@start pt + \pgfmathsetmacro\pgf@arcto@theta@end{\pgf@arcto@theta@end-360}% + \else + \pgfmathsetmacro\pgf@arcto@theta@end{\pgf@arcto@theta@end+360}% + \fi + \fi + \fi + % Qrr: + % make sure direction is properly followed + \ifdim\pgf@arcto@fS pt=1pt + % counter clockwise + \ifdim\pgf@arcto@theta@end pt<\pgf@arcto@theta@start path + \pgfmathsetmacro\pgf@arcto@theta@end{\pgf@arcto@theta@end+360}% + \fi + \else + % clockwise + \ifdim\pgf@arcto@theta@end pt>\pgf@arcto@theta@start path + \pgfmathsetmacro\pgf@arcto@theta@end{\pgf@arcto@theta@end-360}% + \fi + \fi + \xdef\pgf@marshal{\noexpand + \pgfpatharcaxes{\pgf@arcto@theta@start}{\pgf@arcto@theta@end} + {\noexpand\pgfpointpolar{\pgf@arcto@phi}{\pgf@arcto@rx}} + {\noexpand\pgfpointpolar{\pgf@arcto@phi+90}{\pgf@arcto@ry}}% + }% + \fi\fi\fi + }% + \pgf@marshal +}
\ No newline at end of file diff --git a/graphics/pgf/contrib/tikz-ext/tikzlibraryext.paths.ortho.code.tex b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.paths.ortho.code.tex index e7a3b02ed7..9740c39cc2 100644 --- a/graphics/pgf/contrib/tikz-ext/tikzlibraryext.paths.ortho.code.tex +++ b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.paths.ortho.code.tex @@ -51,14 +51,13 @@ %%% HVVH/UDLR \tikzset{% - hvvh/.code={\pgfqkeys{/tikz/hvvh}{#1}},% - udlr/.code={\pgfqkeys{/tikz/udlr}{#1}},% - hvvh/.search also=/tikz,% - udlr/.search also=/tikz,% - hvvh/middle 0 to 1/.style={hvvh/spacing=0},% - hvvh/from center/.is if=tikzext@tikz@hvvh@fromcenter,% - udlr/from center/.style={/tikz/hvvh/from center={#1}}, - hvvh/spacing/.code=% spacing = 0 means that the middle part are the pos-itions 0 to 1, + ortho/.code=\pgfqkeys{/tikz/ortho}{#1}, + hvvh/.code=\pgfqkeys{/tikz/ortho}{#1},% + udlr/.code=\pgfqkeys{/tikz/ortho}{#1},% + ortho/.search also=/tikz, + ortho/middle 0 to 1/.style={/tikz/ortho/spacing=0},% + ortho/from center/.is if=tikzext@tikz@hvvh@fromcenter,% + ortho/spacing/.code=% spacing = 0 means that the middle part are the pos-itions 0 to 1, % the first part is -1 to 0, the last part is to 2 \pgfmathint{#1}\let\tikzext@tikz@hvvh@timing@parts\pgfmathresult% in case they are calculations to be done \ifcase\tikzext@tikz@hvvh@timing@parts\relax @@ -76,20 +75,20 @@ \let\tikzext@tikz@hvvh@timing@subtr\pgfmathresult \pgfmathsetmacro\tikzext@tikz@hvvh@timing@factor{1+2*\pgfmathresult}% \fi,% - hvvh/ratio/.code=\pgfmathsetmacro\tikzext@tikz@hvvh@ratio{#1},% + ortho/ratio/.code=\pgfmathsetmacro\tikzext@tikz@hvvh@ratio{#1},% % TODO: not possible to do distance in TikZ coordinate system - hvvh/distance/.code=\pgfmathsetlength\tikzext@tikz@hvvh@distance{#1}\let\tikzext@tikz@hvvh@ratio\pgfutil@empty,% - udlr/distance/.style={% - /tikz/udlr/ud distance={#1},% - /tikz/udlr/du distance={#1},% - /tikz/udlr/lr distance={#1},% - /tikz/udlr/rl distance={#1}},% - udlr/ud distance/.initial=+.5cm,% - udlr/du distance/.initial=+.5cm,% - udlr/lr distance/.initial=+.5cm,% - udlr/rl distance/.initial=+.5cm,% - hvvh/ratio=.5,% default value - hvvh/spacing=4,% default value + ortho/distance/.code=\pgfmathsetlength\tikzext@tikz@hvvh@distance{#1}\let\tikzext@tikz@hvvh@ratio\pgfutil@empty,% + ortho/udlr distance/.style={% + /tikz/ortho/ud distance={#1},% + /tikz/ortho/du distance={#1},% + /tikz/ortho/lr distance={#1},% + /tikz/ortho/rl distance={#1}},% + ortho/ud distance/.initial=+.5cm,% + ortho/du distance/.initial=+.5cm,% + ortho/lr distance/.initial=+.5cm,% + ortho/rl distance/.initial=+.5cm,% + ortho/ratio=.5,% default value + ortho/spacing=4,% default value }% %BEGIN_FOLD Timer @@ -207,7 +206,7 @@ \tikz@make@last@position{#1}% \tikz@flush@moveto@toward{\pgfqpoint{\tikz@lastx}{\pgf@yc}}\pgf@xc\pgf@yc \begingroup - \pgfqkeys{/tikz/hvvh}{/tikz/style/.expand once=\tikz@hvvh@currentoption}% + \pgfqkeys{/tikz/ortho}{/tikz/style/.expand once=\tikz@hvvh@currentoption}% \iftikz@shapeborder \pgf@process{\pgfpointshapeborder{\tikz@shapeborder@name}{\pgfqpoint{\pgf@xb}{\tikz@lasty}}}% \iftikzext@tikz@hvvh@fromcenter @@ -277,7 +276,7 @@ \tikz@make@last@position{#1}% \tikz@flush@moveto@toward{\pgfqpoint{\pgf@xc}{\tikz@lasty}}\pgf@xc\pgf@yc \begingroup - \pgfqkeys{/tikz/hvvh}{/tikz/style/.expand once=\tikz@hvvh@currentoption}% + \pgfqkeys{/tikz/ortho}{/tikz/style/.expand once=\tikz@hvvh@currentoption}% \iftikz@shapeborder \pgf@process{\pgfpointshapeborder{\tikz@shapeborder@name}{\pgfqpoint{\tikz@lastx}{\pgf@yb}}}% \iftikzext@tikz@hvvh@fromcenter @@ -348,8 +347,8 @@ \tikz@flush@moveto@toward{\pgfqpoint{\tikz@lastx}{\tikz@lasty}}\pgf@xc\pgf@yc \tikz@make@last@position{#1}% \begingroup - \pgfqkeys{/tikz/udlr}{/tikz/style/.expand once=\tikz@hvvh@currentoption}% - \pgfmathsetlength\tikzext@tikz@udlr@distance{\pgfkeysvalueof{/tikz/udlr/ud distance}}% + \pgfqkeys{/tikz/ortho}{/tikz/style/.expand once=\tikz@hvvh@currentoption}% + \pgfmathsetlength\tikzext@tikz@udlr@distance{\pgfkeysvalueof{/tikz/ortho/ud distance}}% \iftikz@shapeborder \advance\pgf@y1pt% \pgf@process{\pgfpointshapeborder{\tikz@shapeborder@name}{\pgfqpoint{\pgf@x}{\pgf@y}}}% @@ -399,8 +398,8 @@ \tikz@flush@moveto@toward{\pgfqpoint{\tikz@lastx}{\tikz@lasty}}\pgf@xc\pgf@yc \tikz@make@last@position{#1}% \begingroup - \pgfqkeys{/tikz/udlr}{/tikz/style/.expand once=\tikz@hvvh@currentoption}% - \pgfmathsetlength\tikzext@tikz@udlr@distance{\pgfkeysvalueof{/tikz/udlr/du distance}}% + \pgfqkeys{/tikz/ortho}{/tikz/style/.expand once=\tikz@hvvh@currentoption}% + \pgfmathsetlength\tikzext@tikz@udlr@distance{\pgfkeysvalueof{/tikz/ortho/du distance}}% \iftikz@shapeborder \advance\pgf@y-1pt% \pgf@process{\pgfpointshapeborder{\tikz@shapeborder@name}{\pgfqpoint{\pgf@x}{\pgf@y}}}% @@ -450,8 +449,8 @@ \tikz@flush@moveto@toward{\pgfqpoint{\tikz@lastx}{\tikz@lasty}}\pgf@xc\pgf@yc \tikz@make@last@position{#1}% \begingroup - \pgfqkeys{/tikz/udlr}{/tikz/style/.expand once=\tikz@hvvh@currentoption}% - \pgfmathsetlength\tikzext@tikz@udlr@distance{\pgfkeysvalueof{/tikz/udlr/lr distance}}% + \pgfqkeys{/tikz/ortho}{/tikz/style/.expand once=\tikz@hvvh@currentoption}% + \pgfmathsetlength\tikzext@tikz@udlr@distance{\pgfkeysvalueof{/tikz/ortho/lr distance}}% \iftikz@shapeborder \advance\pgf@x-1pt% \pgf@process{\pgfpointshapeborder{\tikz@shapeborder@name}{\pgfqpoint{\pgf@x}{\pgf@y}}}% @@ -501,8 +500,8 @@ \tikz@flush@moveto@toward{\pgfqpoint{\tikz@lastx}{\tikz@lasty}}\pgf@xc\pgf@yc \tikz@make@last@position{#1}% \begingroup - \pgfqkeys{/tikz/udlr}{/tikz/style/.expand once=\tikz@hvvh@currentoption}% - \pgfmathsetlength\tikzext@tikz@udlr@distance{\pgfkeysvalueof{/tikz/udlr/rl distance}}% + \pgfqkeys{/tikz/udlr}{/tikz/ortho/.expand once=\tikz@hvvh@currentoption}% + \pgfmathsetlength\tikzext@tikz@udlr@distance{\pgfkeysvalueof{/tikz/ortho/rl distance}}% \iftikz@shapeborder% \advance\pgf@x1pt% \pgf@process{\pgfpointshapeborder{\tikz@shapeborder@name}{\pgfqpoint{\pgf@x}{\pgf@y}}}% @@ -546,6 +545,16 @@ \tikzset{ node as new start/.is if=tikzext@ortho@preflush, node as new start, + ortho/install shortcuts/.style={ + *|/.style={only vertical second={#1}}, *|/.default=, + |*/.style={only vertical first={#1}}, |*/.default=, + *-/.style={only horizontal second={#1}}, *-/.default=, + -*/.style={only horizontal first={#1}}, -*/.default=, + |-/.style={to path={|-(\tikztotarget)\tikztonodes}}, + -|/.style={to path={-|(\tikztotarget)\tikztonodes}}, + -|-/.style=/tikz/horizontal vertical horizontal, + |-|/.style=/tikz/vertical horizontal vertical, + }, horizontal vertical/.style={to path={-| (\tikztotarget) \tikztonodes}}, vertical horizontal/.style={to path={|- (\tikztotarget) \tikztonodes}}, horizontal vertical horizontal/.style={to path={-|- (\tikztotarget) \tikztonodes}}, @@ -611,10 +620,11 @@ \let\tikzext@ortho@anchor\pgfutil@empty \let\tikzext@origtotarget\pgfutil@empty \tikz@scan@one@point\pgfutil@firstofone(\tikztotarget)\relax + \pgf@ya=\pgf@y \iftikz@shapeborder \let\tikzext@origtotarget\tikztotarget \tikz@scan@one@point\pgfutil@firstofone(\tikztostart)\relax - \ifdim\pgf@y>\tikz@lasty\relax + \ifdim\pgf@ya>\tikz@lasty\relax \edef\tikztotarget{\tikztotarget.south}% \iftikz@shapeborder\def\tikzext@ortho@anchor{.north}\fi \else @@ -640,10 +650,11 @@ \let\tikzext@ortho@anchor\pgfutil@empty \let\tikzext@origtotarget\pgfutil@empty \tikz@scan@one@point\pgfutil@firstofone(\tikztotarget)\relax + \pgf@xa=\pgf@x \iftikz@shapeborder \let\tikzext@origtotarget\tikztotarget \tikz@scan@one@point\pgfutil@firstofone(\tikztostart)\relax - \ifdim\pgf@x>\tikz@lastx\relax + \ifdim\pgf@xa>\tikz@lastx\relax \edef\tikztotarget{\tikztotarget.west}% \iftikz@shapeborder\def\tikzext@ortho@anchor{.east}\fi \else diff --git a/graphics/pgf/contrib/tikz-ext/tikzlibraryext.paths.timer.code.tex b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.paths.timer.code.tex index 3a4d30e68f..3a4d30e68f 100644 --- a/graphics/pgf/contrib/tikz-ext/tikzlibraryext.paths.timer.code.tex +++ b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.paths.timer.code.tex diff --git a/graphics/pgf/contrib/tikz-ext/tikzlibraryext.patterns.images.code.tex b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.patterns.images.code.tex index aa732ab835..aa732ab835 100644 --- a/graphics/pgf/contrib/tikz-ext/tikzlibraryext.patterns.images.code.tex +++ b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.patterns.images.code.tex diff --git a/graphics/pgf/contrib/tikz-ext/tikzlibraryext.positioning-plus.code.tex b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.positioning-plus.code.tex index 98de181c27..98de181c27 100644 --- a/graphics/pgf/contrib/tikz-ext/tikzlibraryext.positioning-plus.code.tex +++ b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.positioning-plus.code.tex diff --git a/graphics/pgf/contrib/tikz-ext/tikzlibraryext.topaths.arcthrough.code.tex b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.topaths.arcthrough.code.tex index d90a2edc78..d90a2edc78 100644 --- a/graphics/pgf/contrib/tikz-ext/tikzlibraryext.topaths.arcthrough.code.tex +++ b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.topaths.arcthrough.code.tex diff --git a/graphics/pgf/contrib/tikz-ext/tikzlibraryext.transformations.mirror.code.tex b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.transformations.mirror.code.tex index 026b39ab2f..026b39ab2f 100644 --- a/graphics/pgf/contrib/tikz-ext/tikzlibraryext.transformations.mirror.code.tex +++ b/graphics/pgf/contrib/tikz-ext/tex/generic/tikz-ext/tikzlibraryext.transformations.mirror.code.tex diff --git a/graphics/pgf/contrib/tikz-ext/pgfcalendar-ext.sty b/graphics/pgf/contrib/tikz-ext/tex/latex/tikz-ext/pgfcalendar-ext.sty index a0f5ef3bc0..a0f5ef3bc0 100644 --- a/graphics/pgf/contrib/tikz-ext/pgfcalendar-ext.sty +++ b/graphics/pgf/contrib/tikz-ext/tex/latex/tikz-ext/pgfcalendar-ext.sty diff --git a/graphics/pgf/contrib/tikz-ext/pgfcalendar-ext.tex b/graphics/pgf/contrib/tikz-ext/tex/plain/tikz-ext/pgfcalendar-ext.tex index 30c44187a4..30c44187a4 100644 --- a/graphics/pgf/contrib/tikz-ext/pgfcalendar-ext.tex +++ b/graphics/pgf/contrib/tikz-ext/tex/plain/tikz-ext/pgfcalendar-ext.tex diff --git a/graphics/pgf/contrib/tikz-ext/tikzlibraryext.paths.arcto.code.tex b/graphics/pgf/contrib/tikz-ext/tikzlibraryext.paths.arcto.code.tex deleted file mode 100644 index 213fc1b74a..0000000000 --- a/graphics/pgf/contrib/tikz-ext/tikzlibraryext.paths.arcto.code.tex +++ /dev/null @@ -1,104 +0,0 @@ -% Copyright 2022 by Qrrbrbirlbel -% -% This file may be distributed and/or modified -% -% 1. under the LaTeX Project Public License and/or -% 2. under the GNU Free Documentation License. -% -\tikzset{ - arc to/.code=\pgfqkeys{/tikz/arc to}{#1}, - arc to={ - counter clockwise/.code=\pgfkeyssetvalue{/tikz/arc to/ccw flag}{1}, - clockwise/.code=\pgfkeyssetvalue{/tikz/arc to/ccw flag}{0}, - x radius/.code=\pgfkeyssetvalue{/tikz/x radius}{#1}, - y radius/.code=\pgfkeyssetvalue{/tikz/y radius}{#1}, - radius/.code=\pgfkeyssetvalue{/tikz/x radius}{#1}\pgfkeyssetvalue{/tikz/y radius}{#1}, - large/.code=\pgfkeyssetvalue{/tikz/arc to/large flag}{1}, - small/.code=\pgfkeyssetvalue{/tikz/arc to/large flag}{0}, - % defaults - rotate/.initial=0, counter clockwise, small, - counter clockwise/.value forbidden, - clockwise/.value forbidden, - large/.value forbidden, - small/.value forbidden}} -\def\tikz@arcA rc{\pgfutil@ifnextchar t% - {\tikz@flush@moveto\expandafter\expandafter\expandafter\tikz@arcB@cont\expandafter\pgfutil@gobble\pgfutil@gobble} - {\tikz@flush@moveto\tikz@arc@cont}} -\def\tikz@arcB@cont{% - \pgfutil@ifnextchar[\tikz@@do@arcB{ - \advance\tikz@expandcount by -10\relax% go down quickly - \ifnum\tikz@expandcount<0\relax% - \def\@next{\tikz@@do@arcB[]}% - \else% - \def\@next{\expandafter\tikz@arcB@cont}% - \fi% - \@next}}% -\def\tikz@@do@arcB[#1]{% - \def\tikz@arcB@options{#1}% - \tikz@do@@arcB} -\def\tikz@do@@arcB{% - \pgfutil@ifnextchar n{\tikz@collect@label@onpath\tikz@do@@arcB} - {\pgfutil@ifnextchar c{\tikz@collect@coordinate@onpath\tikz@do@@arcB} - {\pgfutil@ifnextchar p{\tikz@collect@pic@onpath\tikz@do@@arcB} - {\tikz@scan@one@point\tikz@do@arcB}}}} - -\def\tikz@do@arcB#1{% - \edef\tikz@timer@start{\noexpand\pgfqpoint{\the\tikz@lastx}{\the\tikz@lasty}} - \tikz@make@last@position{#1}% - \edef\tikz@timer@end{\noexpand\pgfqpoint{\the\tikz@lastx}{\the\tikz@lasty}}% - \iftikz@shapeborder - \edef\tikz@moveto@waiting{\tikz@shapeborder@name}% - \fi - \begingroup - \tikzset{every arc/.try,every arc to/.try,arc to/.expand once=\tikz@arcB@options}% - \pgfmathsetmacro\tikz@arc@x{\pgfkeysvalueof{/tikz/x radius}}% - \ifpgfmathunitsdeclared - \pgfmathsetmacro\tikz@arc@y{\pgfkeysvalueof{/tikz/y radius}}% - \ifpgfmathunitsdeclared - \pgfpatharcto{\tikz@arc@x pt}{\tikz@arc@y pt} - {\pgfkeysvalueof{/tikz/arc to/rotate}}{\pgfkeysvalueof{/tikz/arc to/large flag}} - {\pgfkeysvalueof{/tikz/arc to/ccw flag}}{#1}% - \else - \tikzerror{You cannot mix dimensions and dimension values in an arc}% - \fi - \else - \pgfmathsetmacro\tikz@arc@y{\pgfkeysvalueof{/tikz/y radius}}% - \ifpgfmathunitsdeclared - \tikzerror{You cannot mix dimensions and dimension values in an arc}% - \else - \pgf@process{\pgfpointxy{\tikz@arc@x}{0}}% - \pgfmathveclen@{\pgf@sys@tonumber\pgf@x}{\pgf@sys@tonumber\pgf@y}% - \let\tikz@arc@x\pgfmathresult - \pgf@process{\pgfpointxy{0}{\tikz@arc@y}}% - \pgfmathveclen@{\pgf@sys@tonumber\pgf@x}{\pgf@sys@tonumber\pgf@y}% - \let\tikz@arc@y\pgfmathresult - \pgfpatharcto{+\tikz@arc@x pt}{+\tikz@arc@y pt} - {\pgfkeysvalueof{/tikz/arc to/rotate}}{\pgfkeysvalueof{/tikz/arc to/large flag}} - {\pgfkeysvalueof{/tikz/arc to/ccw flag}}{#1}% - \fi - \fi - \endgroup - % check whether \pgf@marshall starts with \pgfpathlineto - \pgfutil@ifxempty\pgf@marshal{}{% - \edef\tikz@temp{\expandafter\expandafter\expandafter\noexpand\expandafter\pgfutil@firstgobblerest\pgf@marshal\relax}% - \expandafter\let\expandafter\tikz@temp\tikz@temp - \pgfutil@ifx\tikz@temp\pgfpathlineto{}{% - % getting rid of \pgfpatharcaxes inside \pgf@marshal - \expandafter\expandafter\expandafter\def\expandafter\expandafter\expandafter\pgf@marshal - \expandafter\expandafter\expandafter{\expandafter\pgfutil@gobble\pgf@marshal}% - % extracting the other four values needed for the timer - \edef\tikz@timer@start@angle{\expandafter\pgfutil@firstoffour\pgf@marshal}% - \edef\tikz@timer@end@angle{\expandafter\pgfutil@secondoffour\pgf@marshal}% - \pgfextract@process\tikz@timer@zero@axis{\expandafter\pgfutil@thirdoffour\pgf@marshal}% - \pgfextract@process\tikz@timer@ninety@axis{\expandafter\pgfutil@fourthoffour\pgf@marshal}% - % - \let\tikz@timer=\tikz@timer@arc - }% - }% - \tikz@scan@next@command -} -\def\pgfutil@firstoffour#1#2#3#4{#1} -\def\pgfutil@secondoffour#1#2#3#4{#2} -\def\pgfutil@thirdoffour#1#2#3#4{#3} -\def\pgfutil@fourthoffour#1#2#3#4{#4} -\def\pgfutil@firstgobblerest#1#2\relax{#1}
\ No newline at end of file |