RDKit
Open-source cheminformatics and machine learning.
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RDKit::MolAlign::SDM Member List

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

fillFromDist(double threshold, const boost::dynamic_bitset<> &refHvyAtoms, const boost::dynamic_bitset<> &prbHvyAtoms)RDKit::MolAlign::SDM
fillFromLAP(LAP &lap)RDKit::MolAlign::SDM
operator=(const SDM &other)RDKit::MolAlign::SDMinline
prepareMatchWeightsVect(RDKit::MatchVectType &matchVect, RDNumeric::DoubleVector &weights, double(*weightFunc)(const unsigned int, const unsigned int, void *), void *data)RDKit::MolAlign::SDM
scoreAlignment(double(*scoringFunc)(const unsigned int, const unsigned int, void *), void *data)RDKit::MolAlign::SDM
SDM(const Conformer *prbConf=nullptr, const Conformer *refConf=nullptr, O3AConstraintVect *o3aConstraintVect=nullptr)RDKit::MolAlign::SDMinline
SDM(const SDM &other)RDKit::MolAlign::SDMinline
size()RDKit::MolAlign::SDMinline
~SDM()=defaultRDKit::MolAlign::SDM