RDKit: Member List

| 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::TautomerQuery | static
getModifiedAtoms() const | RDKit::TautomerQuery | inline
getModifiedBonds() const | RDKit::TautomerQuery | inline
getTautomers() const | RDKit::TautomerQuery | inline
getTemplateMolecule() const | RDKit::TautomerQuery | inline
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::TautomerQuery | static
patternFingerprintTemplate(unsigned int fpSize=2048U) const | RDKit::TautomerQuery |
serialize() const | RDKit::TautomerQuery |
substructOf(const ROMol &mol, const SubstructMatchParameters &params=SubstructMatchParameters(), std::vector< ROMOL_SPTR > *matchingTautomers=nullptr) const | RDKit::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::TautomerQuery | inline
TautomerQuery(const std::string &pickle) | RDKit::TautomerQuery | inline
TautomerQueryMatcher class | RDKit::TautomerQuery | friend
toStream(std::ostream &ss) const | RDKit::TautomerQuery |