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Open-source cheminformatics and machine learning.
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RDKit::RCore Member List
This is the complete list of members for
RDKit::RCore
, including all inherited members.
checkAllBondsToAttachmentPointPresent
(const ROMol &mol, const int attachmentIdx, const MatchVectType &mapping) const
RDKit::RCore
checkAllBondsToRGroupPresent
(const ROMol &mol, const int attachmentIdx, const std::vector< std::vector< int > > &targetToCoreIndices) const
RDKit::RCore
core
RDKit::RCore
core_atoms_with_user_labels
RDKit::RCore
countUserRGroups
()
RDKit::RCore
inline
extractCoreFromMolMatch
(const ROMol &mol, const MatchVectType &match, const RGroupDecompositionParameters ¶ms) const
RDKit::RCore
findIndicesWithRLabel
()
RDKit::RCore
getMatchingTautomerQuery
()
RDKit::RCore
init
()
RDKit::RCore
isCoreAtomUserLabelled
(int idx) const
RDKit::RCore
inline
isTerminalRGroupWithUserLabel
(const int idx) const
RDKit::RCore
inline
labelledCore
RDKit::RCore
matchingMol
RDKit::RCore
matchTerminalUserRGroups
(const RWMol &target, MatchVectType match, const SubstructMatchParameters &sssParams) const
RDKit::RCore
numberUserRGroups
RDKit::RCore
RCore
()
RDKit::RCore
inline
RCore
(const RWMol &c)
RDKit::RCore
inline
replaceCoreAtomsWithMolMatches
(const ROMol &mol, const MatchVectType &match) const
RDKit::RCore
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