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() constRDKit::RGroupScorerinline
getBestScore() constRDKit::RGroupScorerinline
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::RGroupScorerinline
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() constRDKit::RGroupScorerinline