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RDKIT_GENERICGROUPS_EXPORT bool | RDKit::GenericGroups::Matchers::AlkylAtomMatcher (const ROMol &mol, const Atom &atom, boost::dynamic_bitset<> ignore) |
| Matches alkyl side chains. More...
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RDKIT_GENERICGROUPS_EXPORT bool | RDKit::GenericGroups::Matchers::AlkenylAtomMatcher (const ROMol &mol, const Atom &atom, boost::dynamic_bitset<> ignore) |
| Matches alkenyl side chains. More...
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RDKIT_GENERICGROUPS_EXPORT bool | RDKit::GenericGroups::Matchers::AlkynylAtomMatcher (const ROMol &mol, const Atom &atom, boost::dynamic_bitset<> ignore) |
| Matches alkynyl side chains. More...
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RDKIT_GENERICGROUPS_EXPORT bool | RDKit::GenericGroups::Matchers::CarbocyclicAtomMatcher (const ROMol &mol, const Atom &atom, boost::dynamic_bitset<> ignore) |
| Matches carbocyclic side chains. More...
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RDKIT_GENERICGROUPS_EXPORT bool | RDKit::GenericGroups::Matchers::CarbocycloalkylAtomMatcher (const ROMol &mol, const Atom &atom, boost::dynamic_bitset<> ignore) |
| Matches cycloalkyl side chains. More...
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RDKIT_GENERICGROUPS_EXPORT bool | RDKit::GenericGroups::Matchers::CarbocycloalkenylAtomMatcher (const ROMol &mol, const Atom &atom, boost::dynamic_bitset<> ignore) |
| Matches cycloalkenyl side chains. More...
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RDKIT_GENERICGROUPS_EXPORT bool | RDKit::GenericGroups::Matchers::HeterocyclicAtomMatcher (const ROMol &mol, const Atom &atom, boost::dynamic_bitset<> ignore) |
| Matches heterocyclic side chains. More...
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RDKIT_GENERICGROUPS_EXPORT bool | RDKit::GenericGroups::Matchers::CarboarylAtomMatcher (const ROMol &mol, const Atom &atom, boost::dynamic_bitset<> ignore) |
| Matches aryl side chains. More...
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RDKIT_GENERICGROUPS_EXPORT bool | RDKit::GenericGroups::Matchers::HeteroarylAtomMatcher (const ROMol &mol, const Atom &atom, boost::dynamic_bitset<> ignore) |
| Matches heteroaryl side chains. More...
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RDKIT_GENERICGROUPS_EXPORT bool | RDKit::GenericGroups::Matchers::CyclicAtomMatcher (const ROMol &mol, const Atom &atom, boost::dynamic_bitset<> ignore) |
| Matches cyclic side chains. More...
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RDKIT_GENERICGROUPS_EXPORT bool | RDKit::GenericGroups::Matchers::AcyclicAtomMatcher (const ROMol &mol, const Atom &atom, boost::dynamic_bitset<> ignore) |
| Matches acyclic side chains. More...
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RDKIT_GENERICGROUPS_EXPORT bool | RDKit::GenericGroups::Matchers::CarboacyclicAtomMatcher (const ROMol &mol, const Atom &atom, boost::dynamic_bitset<> ignore) |
| Matches all-carbon acyclic side chains. More...
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RDKIT_GENERICGROUPS_EXPORT bool | RDKit::GenericGroups::Matchers::HeteroacyclicAtomMatcher (const ROMol &mol, const Atom &atom, boost::dynamic_bitset<> ignore) |
| Matches acyclic side chains with at least one heteroatom. More...
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RDKIT_GENERICGROUPS_EXPORT bool | RDKit::GenericGroups::Matchers::AlkoxyacyclicAtomMatcher (const ROMol &mol, const Atom &atom, boost::dynamic_bitset<> ignore) |
| Matches acyclic alkoxy side chains. More...
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RDKIT_GENERICGROUPS_EXPORT bool | RDKit::GenericGroups::Matchers::NoCarbonRingAtomMatcher (const ROMol &mol, const Atom &atom, boost::dynamic_bitset<> ignore) |
| Matches rings without carbon. More...
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RDKIT_GENERICGROUPS_EXPORT bool | RDKit::GenericGroups::genericAtomMatcher (const ROMol &mol, const ROMol &query, const std::vector< unsigned int > &match) |
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RDKIT_GENERICGROUPS_EXPORT void | RDKit::GenericGroups::setGenericQueriesFromProperties (ROMol &mol, bool useAtomLabels=true, bool useSGroups=true) |
| sets the apropriate generic query tags based on atom labels and/or SGroups More...
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RDKIT_GENERICGROUPS_EXPORT void | RDKit::GenericGroups::convertGenericQueriesToSubstanceGroups (ROMol &mol) |
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