This is the complete list of members for RDKit::RGroupDecompData, including all inherited members.
| addAtoms(RWMol &mol, const std::vector< std::pair< Atom *, Atom * > > &atomsToAdd) | RDKit::RGroupDecompData | |
| addCore(const ROMol &inputCore) | RDKit::RGroupDecompData | |
| addCoreUserLabels(const RWMol &core, std::set< int > &userLabels) | RDKit::RGroupDecompData | |
| cores | RDKit::RGroupDecompData | |
| finalRlabelMapping | RDKit::RGroupDecompData | |
| GetCurrentBestPermutation() const | RDKit::RGroupDecompData | |
| getRlabel(Atom *atom) const | RDKit::RGroupDecompData | |
| labels | RDKit::RGroupDecompData | |
| matches | RDKit::RGroupDecompData | |
| newCoreLabel | RDKit::RGroupDecompData | |
| newCores | RDKit::RGroupDecompData | |
| params | RDKit::RGroupDecompData | |
| permutation | RDKit::RGroupDecompData | |
| permutationProduct | RDKit::RGroupDecompData | |
| prepareCores() | RDKit::RGroupDecompData | |
| previousMatchSize | RDKit::RGroupDecompData | |
| process(bool pruneMatches, bool finalize=false) | RDKit::RGroupDecompData | |
| processedRlabels | RDKit::RGroupDecompData | |
| prune() | RDKit::RGroupDecompData | |
| prunedFingerprintVarianceScoreData | RDKit::RGroupDecompData | |
| pruneLength | RDKit::RGroupDecompData | |
| prunePermutations | RDKit::RGroupDecompData | |
| relabel() | RDKit::RGroupDecompData | |
| relabelCore(RWMol &core, std::map< int, int > &mappings, UsedLabels &used_labels, const std::set< int > &indexLabels, const std::map< int, std::vector< int > > &extraAtomRLabels, const RGroupMatch *const match=nullptr) | RDKit::RGroupDecompData | |
| relabelRGroup(RGroupData &rgroup, const std::map< int, int > &mappings) | RDKit::RGroupDecompData | |
| replaceHydrogenCoreDummy(const RGroupMatch &match, RWMol &core, const Atom &atom, const int currentLabel, const int rLabel) | RDKit::RGroupDecompData | |
| RGroupDecompData(const RWMol &inputCore, RGroupDecompositionParameters inputParams) | RDKit::RGroupDecompData | |
| RGroupDecompData(const std::vector< ROMOL_SPTR > &inputCores, RGroupDecompositionParameters inputParams) | RDKit::RGroupDecompData | |
| rGroupScorer | RDKit::RGroupDecompData | mutable |
| score(const std::vector< size_t > &permutation, FingerprintVarianceScoreData *fingerprintVarianceScoreData=nullptr) const | RDKit::RGroupDecompData | |
| scoreFromPrunedData(const std::vector< size_t > &permutation, bool reset=true) | RDKit::RGroupDecompData | |
| setRlabel(Atom *atom, int rlabel) | RDKit::RGroupDecompData | |
| userLabels | RDKit::RGroupDecompData | |
1.10.0