RDKit
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) constRDKit::RCore
checkAllBondsToRGroupPresent(const ROMol &mol, const int attachmentIdx, const std::vector< std::vector< int > > &targetToCoreIndices) constRDKit::RCore
coreRDKit::RCore
core_atoms_with_user_labelsRDKit::RCore
countUserRGroups()RDKit::RCoreinline
extractCoreFromMolMatch(const ROMol &mol, const MatchVectType &match, const RGroupDecompositionParameters &params) constRDKit::RCore
findIndicesWithRLabel()RDKit::RCore
getMatchingTautomerQuery()RDKit::RCore
init()RDKit::RCore
isCoreAtomUserLabelled(int idx) constRDKit::RCoreinline
isTerminalRGroupWithUserLabel(const int idx) constRDKit::RCoreinline
labelledCoreRDKit::RCore
matchingMolRDKit::RCore
matchTerminalUserRGroups(const RWMol &target, MatchVectType match, const SubstructMatchParameters &sssParams) constRDKit::RCore
numberUserRGroupsRDKit::RCore
RCore()RDKit::RCoreinline
RCore(const RWMol &c)RDKit::RCoreinline
replaceCoreAtomsWithMolMatches(const ROMol &mol, const MatchVectType &match) constRDKit::RCore