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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 |
| 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 | |
| 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 |
| TautomerQueryMatcher class | RDKit::TautomerQuery | friend |