RDKit::RGroupDecompData Member List

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

compute_num_added_rgroups(const std::vector< size_t > &tied_permutation, std::vector< int > &heavy_counts)	RDKit::RGroupDecompData	inline
cores	RDKit::RGroupDecompData
finalRlabelMapping	RDKit::RGroupDecompData
GetCurrentBestPermutation() const	RDKit::RGroupDecompData	inline
labels	RDKit::RGroupDecompData
matches	RDKit::RGroupDecompData
newCoreLabel	RDKit::RGroupDecompData
newCores	RDKit::RGroupDecompData
params	RDKit::RGroupDecompData
permutation	RDKit::RGroupDecompData
prepareCores()	RDKit::RGroupDecompData	inline
process(bool pruneMatches, bool finalize=false)	RDKit::RGroupDecompData	inline
processedRlabels	RDKit::RGroupDecompData
prune()	RDKit::RGroupDecompData	inline
relabel()	RDKit::RGroupDecompData	inline
relabelCore(RWMol &core, std::map< int, int > &mappings, UsedLabels &used_labels, const std::set< int > &indexLabels, std::map< int, std::vector< int >> extraAtomRLabels)	RDKit::RGroupDecompData	inline
relabelRGroup(RGroupData &rgroup, const std::map< int, int > &mappings)	RDKit::RGroupDecompData	inline
RGroupDecompData(const RWMol &inputCore, RGroupDecompositionParameters inputParams)	RDKit::RGroupDecompData	inline
RGroupDecompData(const std::vector< ROMOL_SPTR > &inputCores, RGroupDecompositionParameters inputParams)	RDKit::RGroupDecompData	inline
setRlabel(Atom *atom, int rlabel)	RDKit::RGroupDecompData	inline
userLabels	RDKit::RGroupDecompData