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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::SDM | inline
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=NULL, const Conformer *refConf=NULL, O3AConstraintVect *o3aConstraintVect=NULL) | RDKit::MolAlign::SDM | inline
SDM(const SDM &other) | RDKit::MolAlign::SDM | inline
size() | RDKit::MolAlign::SDM | inline
~SDM() | RDKit::MolAlign::SDM | inline