RDKit
Open-source cheminformatics and machine learning.
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RDKit::TautomerQuery Member List

This is the complete list of members for RDKit::TautomerQuery, including all inherited members.

fromMol(const ROMol &molecule, const std::string &tautomerTransformFile=std::string())RDKit::TautomerQuerystatic
getModifiedAtoms() constRDKit::TautomerQueryinline
getModifiedBonds() constRDKit::TautomerQueryinline
getTautomers() constRDKit::TautomerQueryinline
getTemplateMolecule() constRDKit::TautomerQueryinline
initFromStream(std::istream &ss)RDKit::TautomerQuery
initFromString(const std::string &text)RDKit::TautomerQuery
isSubstructOf(const ROMol &mol, const SubstructMatchParameters &params=SubstructMatchParameters())RDKit::TautomerQuery
patternFingerprintTarget(const ROMol &target, unsigned int fpSize=2048U)RDKit::TautomerQuerystatic
patternFingerprintTemplate(unsigned int fpSize=2048U) constRDKit::TautomerQuery
serialize() constRDKit::TautomerQuery
substructOf(const ROMol &mol, const SubstructMatchParameters &params=SubstructMatchParameters(), std::vector< ROMOL_SPTR > *matchingTautomers=nullptr) constRDKit::TautomerQuery
TautomerQuery(std::vector< ROMOL_SPTR > tautomers, const ROMol *const templateMolecule, std::vector< size_t > modifiedAtoms, std::vector< size_t > modifiedBonds)RDKit::TautomerQuery
TautomerQuery(const TautomerQuery &other)RDKit::TautomerQueryinline
TautomerQuery(const std::string &pickle)RDKit::TautomerQueryinline
TautomerQueryMatcherRDKit::TautomerQueryfriend
toStream(std::ostream &ss) constRDKit::TautomerQuery