RDKit
Open-source cheminformatics and machine learning.
RDKit::RGroupDecompositionParameters Member List

This is the complete list of members for RDKit::RGroupDecompositionParameters, including all inherited members.

alignmentRDKit::RGroupDecompositionParameters
autoGetLabels(const RWMol &)RDKit::RGroupDecompositionParameters
chunkSizeRDKit::RGroupDecompositionParameters
labelsRDKit::RGroupDecompositionParameters
matchingStrategyRDKit::RGroupDecompositionParameters
onlyMatchAtRGroupsRDKit::RGroupDecompositionParameters
prepareCore(RWMol &, const RWMol *alignCore)RDKit::RGroupDecompositionParameters
removeAllHydrogenRGroupsRDKit::RGroupDecompositionParameters
removeHydrogensPostMatchRDKit::RGroupDecompositionParameters
RGroupDecompositionParameters(unsigned int labels=AutoDetect, unsigned int strategy=GreedyChunks, unsigned int labelling=AtomMap|MDLRGroup, unsigned int alignment=MCS, unsigned int chunkSize=5, bool matchOnlyAtRGroups=false, bool removeHydrogenOnlyGroups=true, bool removeHydrogensPostMatch=true)RDKit::RGroupDecompositionParametersinline
rgroupLabellingRDKit::RGroupDecompositionParameters