chemruby 0.9.3
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- data/README +120 -0
- data/Rakefile +195 -0
- data/ext/extconf.rb +4 -0
- data/ext/subcomp.c +416 -0
- data/lib/chem.rb +130 -0
- data/lib/chem/appl.rb +1 -0
- data/lib/chem/appl/chem3dole.rb +36 -0
- data/lib/chem/appl/tinker/nucleic.rb +40 -0
- data/lib/chem/appl/tinker/tinker_reader.rb +43 -0
- data/lib/chem/data.rb +4 -0
- data/lib/chem/data/atomic_weight.rb +124 -0
- data/lib/chem/data/character.rb +2 -0
- data/lib/chem/data/electronegativity.rb +14 -0
- data/lib/chem/data/periodic_table.rb +6 -0
- data/lib/chem/data/prime_numbers.rb +1 -0
- data/lib/chem/data/vdw_radii.rb +1 -0
- data/lib/chem/db.rb +64 -0
- data/lib/chem/db/cansmi.rb +234 -0
- data/lib/chem/db/cdx.rb +1525 -0
- data/lib/chem/db/eps.rb +164 -0
- data/lib/chem/db/g98.rb +909 -0
- data/lib/chem/db/gspan.rb +130 -0
- data/lib/chem/db/iupac.rb +5 -0
- data/lib/chem/db/iupac/a_1.rb +46 -0
- data/lib/chem/db/iupac/iuparser.rb +226 -0
- data/lib/chem/db/iupac/iuparser.ry +97 -0
- data/lib/chem/db/iupac/postfix.rb +2 -0
- data/lib/chem/db/kcf.rb +390 -0
- data/lib/chem/db/kcf_glycan.rb +19 -0
- data/lib/chem/db/kegg.rb +516 -0
- data/lib/chem/db/linucs/linparser.rb +144 -0
- data/lib/chem/db/linucs/linucs.ry +53 -0
- data/lib/chem/db/mdl.rb +379 -0
- data/lib/chem/db/molconnz.rb +12 -0
- data/lib/chem/db/mopac.rb +88 -0
- data/lib/chem/db/msi.rb +107 -0
- data/lib/chem/db/pdb_dic.rb +115 -0
- data/lib/chem/db/pdf.rb +131 -0
- data/lib/chem/db/pubchem.rb +113 -0
- data/lib/chem/db/rmagick.rb +70 -0
- data/lib/chem/db/sdf.rb +37 -0
- data/lib/chem/db/smbl.rb +88 -0
- data/lib/chem/db/smiles.rb +2 -0
- data/lib/chem/db/smiles/smiles.ry +203 -0
- data/lib/chem/db/smiles/smiparser.rb +375 -0
- data/lib/chem/db/swf.rb +74 -0
- data/lib/chem/db/sybyl.rb +150 -0
- data/lib/chem/db/tinker.rb +77 -0
- data/lib/chem/db/types/type_cansmi.rb +9 -0
- data/lib/chem/db/types/type_cdx.rb +24 -0
- data/lib/chem/db/types/type_gspan.rb +31 -0
- data/lib/chem/db/types/type_kcf.rb +28 -0
- data/lib/chem/db/types/type_kcf_glycan.rb +26 -0
- data/lib/chem/db/types/type_kegg.rb +92 -0
- data/lib/chem/db/types/type_mdl.rb +31 -0
- data/lib/chem/db/types/type_pdf.rb +33 -0
- data/lib/chem/db/types/type_png.rb +31 -0
- data/lib/chem/db/types/type_rxn.rb +25 -0
- data/lib/chem/db/types/type_sdf.rb +25 -0
- data/lib/chem/db/types/type_sybyl.rb +30 -0
- data/lib/chem/db/types/type_xyz.rb +26 -0
- data/lib/chem/db/vector.rb +128 -0
- data/lib/chem/db/xyz.rb +39 -0
- data/lib/chem/model.rb +119 -0
- data/lib/chem/model/skeleton.rb +37 -0
- data/lib/chem/utils.rb +11 -0
- data/lib/chem/utils/geometry.rb +27 -0
- data/lib/chem/utils/graph_db.rb +146 -0
- data/lib/chem/utils/math.rb +17 -0
- data/lib/chem/utils/prop.rb +123 -0
- data/lib/chem/utils/sssr.rb +101 -0
- data/lib/chem/utils/sub.rb +78 -0
- data/lib/chem/utils/transform.rb +110 -0
- data/lib/chem/utils/traverse.rb +37 -0
- data/lib/chem/utils/ullmann.rb +134 -0
- data/lib/graph.rb +41 -0
- data/lib/graph/cluster.rb +20 -0
- data/lib/graph/morgan.rb +38 -0
- data/sample/frequent_subgraph.rb +46 -0
- data/sample/images/ex1.rb +11 -0
- data/sample/images/ex2.rb +4 -0
- data/sample/images/ex3.rb +5 -0
- data/sample/images/ex4.rb +17 -0
- data/sample/images/ex5.rb +10 -0
- data/sample/images/mol/adenine.mol +26 -0
- data/sample/images/mol/atp.mol +69 -0
- data/sample/images/temp/ex5.mol +344 -0
- data/sample/kegg_db.rb +116 -0
- data/setup.rb +1551 -0
- data/test/all.rb +6 -0
- data/test/coord_test.rb +17 -0
- data/test/ctab_test.rb +31 -0
- data/test/data/A_21.tar.gz +0 -0
- data/test/data/A_21/aceanthrylene.cdx +0 -0
- data/test/data/A_21/aceanthrylene.mol +40 -0
- data/test/data/A_21/acenaphthylene.cdx +0 -0
- data/test/data/A_21/acenaphthylene.mol +31 -0
- data/test/data/A_21/acephenanthrylene.cdx +0 -0
- data/test/data/A_21/acephenanthrylene.mol +40 -0
- data/test/data/A_21/anthracene.cdx +0 -0
- data/test/data/A_21/anthracene.mol +35 -0
- data/test/data/A_21/as-indacene.cdx +0 -0
- data/test/data/A_21/as-indacene.mol +31 -0
- data/test/data/A_21/azulene.cdx +0 -0
- data/test/data/A_21/azulene.mol +26 -0
- data/test/data/A_21/biphenylene.cdx +0 -0
- data/test/data/A_21/biphenylene.mol +31 -0
- data/test/data/A_21/chrysene.cdx +0 -0
- data/test/data/A_21/chrysene.mol +44 -0
- data/test/data/A_21/coronen.cdx +0 -0
- data/test/data/A_21/coronen.mol +59 -0
- data/test/data/A_21/fluoranthene.cdx +0 -0
- data/test/data/A_21/fluoranthene.mol +40 -0
- data/test/data/A_21/fluorene.cdx +0 -0
- data/test/data/A_21/fluorene.mol +33 -0
- data/test/data/A_21/heptacene.cdx +0 -0
- data/test/data/A_21/heptacene.mol +71 -0
- data/test/data/A_21/heptalene.cdx +0 -0
- data/test/data/A_21/heptalene.mol +30 -0
- data/test/data/A_21/heptaphene.cdx +0 -0
- data/test/data/A_21/heptaphene.mol +71 -0
- data/test/data/A_21/hexacene.cdx +0 -0
- data/test/data/A_21/hexacene.mol +62 -0
- data/test/data/A_21/hexaphene.cdx +0 -0
- data/test/data/A_21/hexaphene.mol +62 -0
- data/test/data/A_21/indene.cdx +0 -0
- data/test/data/A_21/indene.mol +24 -0
- data/test/data/A_21/iupac.txt +41 -0
- data/test/data/A_21/naphthacene.cdx +0 -0
- data/test/data/A_21/naphthacene.mol +44 -0
- data/test/data/A_21/naphthalene.cdx +0 -0
- data/test/data/A_21/naphthalene.mol +26 -0
- data/test/data/A_21/ovalene.cdx +0 -0
- data/test/data/A_21/ovalene.mol +78 -0
- data/test/data/A_21/pentacene.cdx +0 -0
- data/test/data/A_21/pentacene.mol +53 -0
- data/test/data/A_21/pentalene.cdx +0 -0
- data/test/data/A_21/pentalene.mol +22 -0
- data/test/data/A_21/pentaphene.cdx +0 -0
- data/test/data/A_21/pentaphene.mol +53 -0
- data/test/data/A_21/perylene.cdx +0 -0
- data/test/data/A_21/perylene.mol +49 -0
- data/test/data/A_21/phenalene.cdx +0 -0
- data/test/data/A_21/phenalene.mol +33 -0
- data/test/data/A_21/phenanthrene.cdx +0 -0
- data/test/data/A_21/phenanthrene.mol +35 -0
- data/test/data/A_21/picene.cdx +0 -0
- data/test/data/A_21/picene.mol +53 -0
- data/test/data/A_21/pleiadene.cdx +0 -0
- data/test/data/A_21/pleiadene.mol +44 -0
- data/test/data/A_21/pyranthrene.cdx +0 -0
- data/test/data/A_21/pyranthrene.mol +72 -0
- data/test/data/A_21/pyrene.cdx +0 -0
- data/test/data/A_21/pyrene.mol +40 -0
- data/test/data/A_21/rubicene.cdx +0 -0
- data/test/data/A_21/rubicene.mol +63 -0
- data/test/data/A_21/s-indacene.cdx +0 -0
- data/test/data/A_21/s-indacene.mol +31 -0
- data/test/data/A_21/tetraphenylene.cdx +0 -0
- data/test/data/A_21/tetraphenylene.mol +57 -0
- data/test/data/A_21/trinaphthylene.cdx +0 -0
- data/test/data/A_21/trinaphthylene.mol +71 -0
- data/test/data/A_21/triphenylene.cdx +0 -0
- data/test/data/A_21/triphenylene.mol +44 -0
- data/test/data/C00147.kcf +25 -0
- data/test/data/G00147.kcf +13 -0
- data/test/data/atp.mol +69 -0
- data/test/data/cyclohexane.mol +17 -0
- data/test/data/cyclohexane.ps +485 -0
- data/test/data/fullerene.mol +155 -0
- data/test/data/glycan +33 -0
- data/test/data/hypericin.cdx +0 -0
- data/test/data/hypericin.cdxml +596 -0
- data/test/data/hypericin.chm +0 -0
- data/test/data/hypericin.ct +85 -0
- data/test/data/hypericin.f1d +0 -0
- data/test/data/hypericin.f1q +0 -0
- data/test/data/hypericin.gif +0 -0
- data/test/data/hypericin.mol +88 -0
- data/test/data/hypericin.mol2 +159 -0
- data/test/data/hypericin.msm +123 -0
- data/test/data/hypericin.pdf +359 -0
- data/test/data/hypericin.png +0 -0
- data/test/data/hypericin.ps +0 -0
- data/test/data/hypericin.skc +0 -0
- data/test/data/hypericin2.gif +0 -0
- data/test/data/hypericin2.ps +0 -0
- data/test/data/kegg/genomes/hsa/hsa_enzyme.list +4 -0
- data/test/data/kegg/genomes/hsa/hsa_pfam.list +4 -0
- data/test/data/kegg/ligand/mol/C00147.mol +26 -0
- data/test/data/kegg/ligand/reaction +14 -0
- data/test/data/kegg/ligand/reaction.lst +1 -0
- data/test/data/kegg/ligand/reaction_mapformula.lst +3 -0
- data/test/data/reaction +14 -0
- data/test/data/reaction.lst +1 -0
- data/test/data/reaction_mapformula.lst +3 -0
- data/test/data/rxn/C00001.mol +6 -0
- data/test/data/rxn/C00011.mol +10 -0
- data/test/data/rxn/C00014.mol +6 -0
- data/test/data/rxn/C01010.mol +18 -0
- data/test/data/rxn/sample.rxn +50 -0
- data/test/data/rxn/substitution.rxn +45 -0
- data/test/data/test.eps +0 -0
- data/test/data/test.mol +28 -0
- data/test/data/test.sdf +143 -0
- data/test/data/test.skc +0 -0
- data/test/data/test.xyz +4 -0
- data/test/data/test_lf.sdf +143 -0
- data/test/heavy_test_pubchem.rb +16 -0
- data/test/multiple_test.rb +22 -0
- data/test/test_adj.rb +54 -0
- data/test/test_canonical_smiles.rb +46 -0
- data/test/test_cdx.rb +32 -0
- data/test/test_chem.rb +18 -0
- data/test/test_cluster.rb +19 -0
- data/test/test_db.rb +11 -0
- data/test/test_eps.rb +24 -0
- data/test/test_geometry.rb +11 -0
- data/test/test_gspan.rb +28 -0
- data/test/test_iupac.rb +36 -0
- data/test/test_kcf.rb +24 -0
- data/test/test_kcf_glycan.rb +10 -0
- data/test/test_kegg.rb +118 -0
- data/test/test_linucs.rb +21 -0
- data/test/test_mdl.rb +45 -0
- data/test/test_mol2.rb +62 -0
- data/test/test_morgan.rb +21 -0
- data/test/test_pdf.rb +12 -0
- data/test/test_prop.rb +86 -0
- data/test/test_rmagick.rb +15 -0
- data/test/test_sbdb.rb +23 -0
- data/test/test_sdf.rb +30 -0
- data/test/test_smiles.rb +84 -0
- data/test/test_sssr.rb +18 -0
- data/test/test_sub.rb +47 -0
- data/test/test_subcomp.rb +37 -0
- data/test/test_traverse.rb +29 -0
- data/test/test_writer.rb +13 -0
- data/test/test_xyz.rb +15 -0
- data/test/type_test.rb +25 -0
- metadata +290 -0
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#
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# = chem/utils/subgraph.rb - Subgraph isomorphism
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#
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# Author:: Nobuya Tanaka <tanaka@chemruby.org>
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#
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# Copyright:: Copyright (c) 2001, 2005 ChemRuby project
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#
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# $Id: ullmann.rb 139 2006-02-07 07:39:20Z tanaka $
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#
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require 'subcomp'
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$ARC = 4 # for 32-bit computer
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module Graph
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def adj_matrix
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n_long = (nodes.length - 1) / 32 + 1
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mat = Array.new(n_long * @nodes.length, 0)
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nodes.each_with_index do |node, idx|
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adjacent_to(node).each do |bond, node|
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keta = nodes.index(node) / 32
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mat[idx * n_long + keta] += 1 << (nodes.index(node) - keta * 32)
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end
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end
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mat.pack("L*")
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end
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def match_by_adj_mat mat, len
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m = Array.new("0xff", 100).pack("c*")
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subcomp_match_by_ullmann(mat, len, self.adjacency_list, self.nodes.length, m)
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end
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def match_by_ullmann other, &block
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if other.nodes.length == 1
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self.nodes.find{|node| node.element == other.nodes[0].element}
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end
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subcomp_match_by_ullmann(adj_matrix, nodes.length, other.adjacency_list, other.nodes.length, other.matchable(self, &block))
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end
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alias match match_by_ullmann
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# returns match correspondences without duplicate
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def match_exhaustively other
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correspond = {}
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result = []
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while true
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match = self.match_by_ullmann(other) do |a, b|
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a.element == b.element and not (correspond[a] and correspond[a].include? b)
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end
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break if not match
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result.push(match)
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match.each_with_index do |n, m|
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(correspond[other.nodes[n]] ||=[]).push @nodes[m]
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end
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end
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result
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end
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def matchable other, exlucde = {}
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n_long = (other.nodes.length - 1) / 32 + 1
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mat = Array.new(n_long * @nodes.length, 0)
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@nodes.each_with_index do |node, index|
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other.nodes.each_with_index do |n, idx|
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if node.element == n.element
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keta = idx / 32
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mat[index * n_long + keta] += 1 << (idx - keta * 32)
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end
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end
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end
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mat.pack("L*")
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end
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#obsolete
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def matchable_old other, exlucde = {}
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n_long = (other.nodes.length - 1) / 32 + 1
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row_unit = n_long * ( 32 / 8)
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r = "\0" * 10000
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if block_given?
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@nodes.each_with_index do |node, index|
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other.nodes.each_with_index do |o_node, idx|
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if yield(node, o_node)
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col_byte = idx / 8
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col_bit = idx - col_byte * 8
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r[index * row_unit + col_byte] += (1 << col_bit)
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end
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end
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end
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else
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@nodes.each_with_index do |node, index|
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other.nodes.each_with_index do |o_node, idx|
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if node.element == o_node.element or node.element == :R or o_node.element == :R
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col_byte = idx / 8
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col_bit = idx - col_byte * 8
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r[index * row_unit + col_byte] += (1 << col_bit)
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end
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end
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end
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end
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r
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end
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def adjacency_list
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ret = []
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@nodes.each do |node|
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r = []
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self.adjacent_to(node).each do |bond, to|
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r << @nodes.index(to)
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end
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ret << r
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end
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ret
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end
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# Obsolete!?
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def connection
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self_adj = []
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@nodes.each do |node|
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i = 0
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self.adjacent_to(node).each do |bond, to|
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i += 1<< @nodes.index(to)
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end
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self_adj << i
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end
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self_adj
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end
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end
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module Chem
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module Molecule
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include Graph
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end
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end
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data/lib/graph.rb
ADDED
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#
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# graph.rb - Graph
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#
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# Copyright (C) 2003-2005 TANAKA Nobuya <tanaka@chemruby.net>
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#
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# $Id: graph.rb 61 2005-10-12 09:17:39Z tanaka $
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#
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require 'graph/morgan'
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require 'graph/cluster'
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module Graph
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attr_accessor :nodes, :edges, :adjacencies
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def each
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@nodes.each do |atom|
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yield atom
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end
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end
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def adjacent_to(atom)
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# instance_eval "alias :tmp_adjacent_to :adjacent_to"
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# instance_eval "alias :adjacent_to :adjacencies"
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if @adjacencies == nil
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|
+
@adjacencies = {}
|
28
|
+
@edges.each do |bond, atom_a, atom_b|
|
29
|
+
(@adjacencies[atom_a] ||= []).push([bond, atom_b])
|
30
|
+
(@adjacencies[atom_b] ||= []).push([bond, atom_a])
|
31
|
+
end
|
32
|
+
end
|
33
|
+
@adjacencies[atom] ||= []
|
34
|
+
@adjacencies[atom]
|
35
|
+
end
|
36
|
+
|
37
|
+
def adjacencies(atom)
|
38
|
+
@adjacencies[atom] ||= []
|
39
|
+
@adjacencies[atom]
|
40
|
+
end
|
41
|
+
end
|
@@ -0,0 +1,20 @@
|
|
1
|
+
|
2
|
+
module Graph
|
3
|
+
|
4
|
+
def clustering_coefficient
|
5
|
+
cc = {} # clustering coefficient
|
6
|
+
@nodes.each do |node|
|
7
|
+
c = 0
|
8
|
+
adj = adjacent_to(node)
|
9
|
+
adj_nodes = adj.collect{|e, n| n}
|
10
|
+
adj.each do |ed, nd|
|
11
|
+
adjacent_to(nd).each do |e, n|
|
12
|
+
c += 1 if adj_nodes.include?(n)
|
13
|
+
end
|
14
|
+
end
|
15
|
+
cc[node] = c
|
16
|
+
end
|
17
|
+
cc
|
18
|
+
end
|
19
|
+
|
20
|
+
end
|
data/lib/graph/morgan.rb
ADDED
@@ -0,0 +1,38 @@
|
|
1
|
+
|
2
|
+
module Graph
|
3
|
+
def morgan
|
4
|
+
ec = {} # extended connectivity
|
5
|
+
tec = {} # trial extended connectivity
|
6
|
+
|
7
|
+
@nodes.each{ |a| tec[a] = 1 }
|
8
|
+
|
9
|
+
k = 0
|
10
|
+
k2 = k + 1
|
11
|
+
|
12
|
+
while k2 > k
|
13
|
+
k = k2
|
14
|
+
@nodes.each{ |a| ec[a] = tec[a] }
|
15
|
+
|
16
|
+
@nodes.each do |a|
|
17
|
+
tec[a] = adjacent_to(a).inject(0){|ret, (b, n)| ret + ec[n]}
|
18
|
+
end
|
19
|
+
k2 = @nodes.collect{|a| tec[a]}.uniq.length
|
20
|
+
end
|
21
|
+
|
22
|
+
# calc morgan tree
|
23
|
+
max = @nodes.max{|a, b| tec[a] <=> tec[b]}
|
24
|
+
|
25
|
+
queue = [ max ]
|
26
|
+
traversed = [ max ]
|
27
|
+
|
28
|
+
while from = queue.shift
|
29
|
+
adjacent_to(from).sort{|(b1, n), (b2, m)| tec[m] <=> tec[n]}.each do |bond, atom|
|
30
|
+
unless traversed.include?(atom)
|
31
|
+
queue.push(atom)
|
32
|
+
traversed.push(atom)
|
33
|
+
end
|
34
|
+
end
|
35
|
+
end
|
36
|
+
[ec, tec, traversed]
|
37
|
+
end
|
38
|
+
end
|
@@ -0,0 +1,46 @@
|
|
1
|
+
|
2
|
+
$: << "/home/tanaka/proj/chemruby/lib/"
|
3
|
+
$: << "/home/tanaka/proj/chemruby/ext/"
|
4
|
+
|
5
|
+
require 'chem'
|
6
|
+
|
7
|
+
# Load
|
8
|
+
puts "Load molecules"
|
9
|
+
|
10
|
+
mols = []
|
11
|
+
|
12
|
+
Dir.glob("mol/*.mol") do |file
|
13
|
+
mols.push Chem.open_mol(filename) if File.exist?(filename)
|
14
|
+
print "."
|
15
|
+
end
|
16
|
+
|
17
|
+
puts
|
18
|
+
puts "Load completed!"
|
19
|
+
|
20
|
+
# Calculate with gSpan
|
21
|
+
|
22
|
+
filename = "temp/temp.gspan.#{Process.pid}.0"
|
23
|
+
filename.succ! while File.exist?(filename)
|
24
|
+
# KADOWAKi suggested to removed .fp extension
|
25
|
+
#filename = filename + ".fp"
|
26
|
+
Chem.save(mols, filename)
|
27
|
+
|
28
|
+
system("gSpan #{filename} -o -s32")
|
29
|
+
freqs = Chem.open_mol("#{filename}.fp")
|
30
|
+
|
31
|
+
# Save Image
|
32
|
+
|
33
|
+
puts
|
34
|
+
puts "Now save images in temp/"
|
35
|
+
|
36
|
+
|
37
|
+
mols.each_with_index do |mol, i|
|
38
|
+
m = mol.match_by_ullmann(freqs[10])
|
39
|
+
if m
|
40
|
+
m.each do |index|
|
41
|
+
mol.nodes[index].visible = true
|
42
|
+
end
|
43
|
+
# need rmagick or use pdf
|
44
|
+
mol.save(File.join("temp", "mol_#{i}.png"))
|
45
|
+
end
|
46
|
+
end
|
@@ -0,0 +1,17 @@
|
|
1
|
+
require 'chem'
|
2
|
+
|
3
|
+
mol = Chem.open_mol("mol/atp.mol")
|
4
|
+
mol.nodes.each do |node|
|
5
|
+
|
6
|
+
node.visible = true unless node.element == :C
|
7
|
+
|
8
|
+
case node.element
|
9
|
+
when :O
|
10
|
+
node.color = [1, 0, 0]
|
11
|
+
when :N
|
12
|
+
node.color = [0, 0, 1]
|
13
|
+
end
|
14
|
+
|
15
|
+
end
|
16
|
+
|
17
|
+
mol.save("temp/ex4.png")
|
@@ -0,0 +1,26 @@
|
|
1
|
+
|
2
|
+
-ISIS- 02070623312D
|
3
|
+
|
4
|
+
10 11 0 0 0 0 0 0 0 0999 V2000
|
5
|
+
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|
6
|
+
0.0872 -3.7152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
7
|
+
0.8037 -3.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
8
|
+
0.8008 -2.4713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
9
|
+
-0.0861 -1.2557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
10
|
+
-0.9059 -1.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
11
|
+
-1.2399 -1.9245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
12
|
+
-0.6264 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
13
|
+
0.0867 -2.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
14
|
+
-1.3424 -3.7143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
15
|
+
8 9 1 0 0 0 0
|
16
|
+
1 2 1 0 0 0 0
|
17
|
+
8 1 2 0 0 0 0
|
18
|
+
6 7 2 0 0 0 0
|
19
|
+
2 3 2 0 0 0 0
|
20
|
+
3 4 1 0 0 0 0
|
21
|
+
5 6 1 0 0 0 0
|
22
|
+
7 8 1 0 0 0 0
|
23
|
+
9 5 1 0 0 0 0
|
24
|
+
4 9 2 0 0 0 0
|
25
|
+
1 10 1 0 0 0 0
|
26
|
+
M END
|
@@ -0,0 +1,69 @@
|
|
1
|
+
|
2
|
+
-ISIS- 02070623502D
|
3
|
+
|
4
|
+
31 33 0 0 0 0 0 0 0 0999 V2000
|
5
|
+
2.4776 -1.7290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
6
|
+
0.6787 -1.6299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
7
|
+
1.6694 0.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
8
|
+
-0.3254 -0.5277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
9
|
+
2.3200 -0.2785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
|
10
|
+
2.0257 -1.0363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
|
11
|
+
1.1912 -0.9888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
|
12
|
+
0.9734 -0.1896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
|
13
|
+
0.2042 0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
14
|
+
4.4581 0.1598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
15
|
+
5.1745 0.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
16
|
+
5.1716 1.4037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
17
|
+
4.4563 1.8128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
18
|
+
2.9639 1.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
19
|
+
2.4765 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
20
|
+
2.9582 0.3213 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
|
21
|
+
3.7432 0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
22
|
+
3.7468 1.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
23
|
+
4.4519 2.6378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
24
|
+
-1.1542 -0.5208 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0
|
25
|
+
-1.9792 -0.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
26
|
+
-1.1583 0.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
27
|
+
-1.1583 -1.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
28
|
+
-2.8042 -0.5167 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0
|
29
|
+
-3.6292 -0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
30
|
+
-2.8000 0.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
31
|
+
-2.8083 -1.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
32
|
+
-4.4542 -0.5125 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0
|
33
|
+
-5.2792 -0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
34
|
+
-4.4542 0.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
35
|
+
-4.4542 -1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
36
|
+
8 9 1 1 0 0 0
|
37
|
+
9 4 1 0 0 0 0
|
38
|
+
6 1 1 6 0 0 0
|
39
|
+
14 15 2 0 0 0 0
|
40
|
+
16 17 1 0 0 0 0
|
41
|
+
18 14 1 0 0 0 0
|
42
|
+
15 16 1 0 0 0 0
|
43
|
+
5 16 1 1 0 0 0
|
44
|
+
7 2 1 6 0 0 0
|
45
|
+
13 19 1 0 0 0 0
|
46
|
+
4 20 1 0 0 0 0
|
47
|
+
17 10 1 0 0 0 0
|
48
|
+
20 21 1 0 0 0 0
|
49
|
+
8 3 1 0 0 0 0
|
50
|
+
20 22 2 0 0 0 0
|
51
|
+
10 11 2 0 0 0 0
|
52
|
+
20 23 1 0 0 0 0
|
53
|
+
8 7 1 0 0 0 0
|
54
|
+
21 24 1 0 0 0 0
|
55
|
+
11 12 1 0 0 0 0
|
56
|
+
24 25 1 0 0 0 0
|
57
|
+
3 5 1 0 0 0 0
|
58
|
+
24 26 2 0 0 0 0
|
59
|
+
12 13 2 0 0 0 0
|
60
|
+
24 27 1 0 0 0 0
|
61
|
+
13 18 1 0 0 0 0
|
62
|
+
25 28 1 0 0 0 0
|
63
|
+
17 18 2 0 0 0 0
|
64
|
+
28 29 1 0 0 0 0
|
65
|
+
7 6 1 0 0 0 0
|
66
|
+
28 30 2 0 0 0 0
|
67
|
+
5 6 1 0 0 0 0
|
68
|
+
28 31 1 0 0 0 0
|
69
|
+
M END
|
@@ -0,0 +1,344 @@
|
|
1
|
+
%PDF-1.3
|
2
|
+
1 0 obj
|
3
|
+
<< /Type /Catalog
|
4
|
+
/Outlines 2 0 R
|
5
|
+
/Pages 3 0 R
|
6
|
+
>>
|
7
|
+
endobj
|
8
|
+
2 0 obj
|
9
|
+
<< /Type /Outlines
|
10
|
+
/Count 0
|
11
|
+
>>
|
12
|
+
endobj
|
13
|
+
3 0 obj
|
14
|
+
<< /Type /Pages
|
15
|
+
/Kids [ 4 0 R]
|
16
|
+
/Count 1
|
17
|
+
>>
|
18
|
+
endobj
|
19
|
+
4 0 obj
|
20
|
+
<< /Type /Page
|
21
|
+
/Parent 3 0 R
|
22
|
+
/MediaBox [ 0 0 180 200]
|
23
|
+
/Contents 5 0 R
|
24
|
+
/Resources << /ProcSet 6 0 R
|
25
|
+
/Font << /F1 7 0 R >>
|
26
|
+
>>
|
27
|
+
>>
|
28
|
+
endobj
|
29
|
+
5 0 obj
|
30
|
+
<< /Length 4837 >> stream
|
31
|
+
q
|
32
|
+
1 0 0 1 0 0 cm
|
33
|
+
0 0 0 RG
|
34
|
+
180 200 m
|
35
|
+
180 0 l
|
36
|
+
S
|
37
|
+
0 0 0 RG
|
38
|
+
180 200 m
|
39
|
+
0 200 l
|
40
|
+
S
|
41
|
+
0 0 0 RG
|
42
|
+
180 0 m
|
43
|
+
0 0 l
|
44
|
+
S
|
45
|
+
0 0 0 RG
|
46
|
+
0 200 m
|
47
|
+
0 0 l
|
48
|
+
S
|
49
|
+
0 0 0 RG
|
50
|
+
105.699704410878 33.5614184451438 m
|
51
|
+
93.9266479810976 38.0367716693611 l
|
52
|
+
S
|
53
|
+
0 0 0 RG
|
54
|
+
93.9266479810976 38.0367716693611 m
|
55
|
+
89.4226057913852 32.6746141908609 l
|
56
|
+
S
|
57
|
+
0 0 0 RG
|
58
|
+
121.805772118963 20.6021791327473 m
|
59
|
+
125.662605778785 14.6901882583086 l
|
60
|
+
S
|
61
|
+
0 0 0 RG
|
62
|
+
132.854366139953 57.2778449086428 m
|
63
|
+
128.705530099391 51.6189483149507 l
|
64
|
+
S
|
65
|
+
0 0 0 RG
|
66
|
+
133.63464489293 55.1413382172321 m
|
67
|
+
130.977797334915 51.5174722825411 l
|
68
|
+
S
|
69
|
+
0 0 0 RG
|
70
|
+
141.411411337585 43.0890187034509 m
|
71
|
+
148.093115356285 45.2288663344079 l
|
72
|
+
S
|
73
|
+
0 0 0 RG
|
74
|
+
148.148215464381 57.8452605297646 m
|
75
|
+
141.484114243071 60.0413751230689 l
|
76
|
+
S
|
77
|
+
0 0 0 RG
|
78
|
+
128.705530099391 51.6189483149507 m
|
79
|
+
132.805712592976 45.92533803893 l
|
80
|
+
S
|
81
|
+
0 0 0 RG
|
82
|
+
126.310205955786 32.2007518868917 m
|
83
|
+
131.99757112809 37.5459126990947 l
|
84
|
+
S
|
85
|
+
0 0 0 RG
|
86
|
+
109.033260950668 21.3291944478988 m
|
87
|
+
104.685859473014 15.8909133019003 l
|
88
|
+
S
|
89
|
+
0 0 0 RG
|
90
|
+
159.007528434908 64.2093230148177 m
|
91
|
+
158.970050100252 71.2365107628273 l
|
92
|
+
S
|
93
|
+
0 0 0 RG
|
94
|
+
80.2210039159597 28.4332199658457 m
|
95
|
+
78.7353464671583 28.4455884943167 l
|
96
|
+
S
|
97
|
+
0 0 0 RG
|
98
|
+
148.093115356285 45.2288663344079 m
|
99
|
+
154.185783603773 41.7099647826 l
|
100
|
+
S
|
101
|
+
0 0 0 RG
|
102
|
+
67.5355405263208 28.4922085003396 m
|
103
|
+
66.1084324210566 28.4922085003396 l
|
104
|
+
S
|
105
|
+
0 0 0 RG
|
106
|
+
105.699704410878 33.5614184451438 m
|
107
|
+
111.645707449576 37.3947109213847 l
|
108
|
+
S
|
109
|
+
0 0 0 RG
|
110
|
+
73.107710566959 34.0921393475342 m
|
111
|
+
73.1006175847959 35.5193857584091 l
|
112
|
+
S
|
113
|
+
0 0 0 RG
|
114
|
+
71.2073690610807 35.3454372229276 m
|
115
|
+
71.2128266590949 34.2472620127497 l
|
116
|
+
S
|
117
|
+
0 0 0 RG
|
118
|
+
163.885740315237 41.7075967097456 m
|
119
|
+
170.0 45.2349885686408 l
|
120
|
+
S
|
121
|
+
0 0 0 RG
|
122
|
+
164.033362688177 43.984914788512 m
|
123
|
+
167.954638070731 46.2471469431876 l
|
124
|
+
S
|
125
|
+
0 0 0 RG
|
126
|
+
73.107710566959 22.892277653145 m
|
127
|
+
73.1006175847959 21.4650312422701 l
|
128
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