RDKit
Open-source cheminformatics and machine learning.
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
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)RDKit::TautomerQuery
substructOf(const ROMol &mol, const SubstructMatchParameters &params=SubstructMatchParameters(), std::vector< ROMOL_SPTR > *matchingTautomers=nullptr) constRDKit::TautomerQuery
TautomerQueryMatcher classRDKit::TautomerQueryfriend
~TautomerQuery()RDKit::TautomerQuery