RDKit: Member List

| RDKit Open-source cheminformatics and machine learning.

Loading...
Searching...
No Matches
RDKit::RGroupScorer Member List

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

breakTies(const std::vector< std::vector< RGroupMatch > > &matches, const std::set< int > &labels, const std::unique_ptr< CartesianProduct > &iterator, const std::chrono::steady_clock::time_point &t0, double timeout) | RDKit::RGroupScorer |
clearTieStore() | RDKit::RGroupScorer |
getBestPermutation() const | RDKit::RGroupScorer | inline
getBestScore() const | RDKit::RGroupScorer | inline
matchScore(const std::vector< size_t > &permutation, const std::vector< std::vector< RGroupMatch > > &matches, const std::set< int > &labels) | RDKit::RGroupScorer |
pushTieToStore(const std::vector< size_t > &permutation) | RDKit::RGroupScorer |
RGroupScorer() | RDKit::RGroupScorer | inline
RGroupScorer(const std::vector< std::vector< size_t > > &permutations, double score) | RDKit::RGroupScorer |
setBestPermutation(const std::vector< size_t > &permutation, double score) | RDKit::RGroupScorer |
startProcessing() | RDKit::RGroupScorer |
tieStoreSize() const | RDKit::RGroupScorer | inline