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RDKit
Open-source cheminformatics and machine learning.
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This is the complete list of members for RDKit::MolStandardize::TautomerEnumerator, including all inherited members.
canonicalize(const ROMol &mol, boost::function< int(const ROMol &mol)> scoreFunc=TautomerScoringFunctions::scoreTautomer) const | RDKit::MolStandardize::TautomerEnumerator | inline |
enumerate(const ROMol &mol, boost::dynamic_bitset<> *modifiedAtoms=nullptr, boost::dynamic_bitset<> *modifiedBonds=nullptr) const | RDKit::MolStandardize::TautomerEnumerator | |
operator=(const TautomerEnumerator &other) | RDKit::MolStandardize::TautomerEnumerator | inline |
pickCanonical(const std::vector< ROMOL_SPTR > &tautomers, boost::function< int(const ROMol &mol)> scoreFunc=TautomerScoringFunctions::scoreTautomer) const | RDKit::MolStandardize::TautomerEnumerator | |
TautomerEnumerator()=delete | RDKit::MolStandardize::TautomerEnumerator | |
TautomerEnumerator(TautomerCatalog *tautCat) | RDKit::MolStandardize::TautomerEnumerator | inline |
TautomerEnumerator(const TautomerEnumerator &other) | RDKit::MolStandardize::TautomerEnumerator | inline |