RDKit
Open-source cheminformatics and machine learning.
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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 ¶ms=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 ¶ms=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 | RDKit::TautomerQuery | friend |
toStream(std::ostream &ss) const | RDKit::TautomerQuery |