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 | |