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RDKit
Open-source cheminformatics and machine learning.
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This is the complete list of members for RDKit::RGroupDecompositionParameters, including all inherited members.
alignment | RDKit::RGroupDecompositionParameters | |
chunkSize | RDKit::RGroupDecompositionParameters | |
labels | RDKit::RGroupDecompositionParameters | |
matchingStrategy | RDKit::RGroupDecompositionParameters | |
onlyMatchAtRGroups | RDKit::RGroupDecompositionParameters | |
prepareCore(RWMol &, const RWMol *alignCore) | RDKit::RGroupDecompositionParameters | |
removeAllHydrogenRGroups | RDKit::RGroupDecompositionParameters | |
removeHydrogensPostMatch | RDKit::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=false) | RDKit::RGroupDecompositionParameters | inline |
rgroupLabelling | RDKit::RGroupDecompositionParameters |