RDKit::MolAlign::O3A Member List

This is the complete list of members for RDKit::MolAlign::O3A, including all inherited members.

align()	RDKit::MolAlign::O3A
AtomTypeScheme enum name	RDKit::MolAlign::O3A
CRIPPEN enum value	RDKit::MolAlign::O3A
matches()	RDKit::MolAlign::O3A	inline
MMFF94 enum value	RDKit::MolAlign::O3A
O3A(ROMol &prbMol, const ROMol &refMol, void *prbProp, void *refProp, AtomTypeScheme atomTypes=MMFF94, const int prbCid=-1, const int refCid=-1, const bool reflect=false, const unsigned int maxIters=50, unsigned int options=0, const MatchVectType *constraintMap=nullptr, const RDNumeric::DoubleVector *constraintWeights=nullptr, LAP *extLAP=nullptr, MolHistogram *extPrbHist=nullptr, MolHistogram *extRefHist=nullptr)	RDKit::MolAlign::O3A
O3A(int(*costFunc)(const unsigned int, const unsigned int, double, void *), double(*weightFunc)(const unsigned int, const unsigned int, void *), double(*scoringFunc)(const unsigned int, const unsigned int, void *), void *data, ROMol &prbMol, const ROMol &refMol, const int prbCid, const int refCid, const boost::dynamic_bitset<> &prbHvyAtoms, const boost::dynamic_bitset<> &refHvyAtoms, const bool reflect=false, const unsigned int maxIters=50, unsigned int options=0, O3AConstraintVect *o3aConstraintVect=nullptr, ROMol *extWorkPrbMol=nullptr, LAP *extLAP=nullptr, MolHistogram *extPrbHist=nullptr, MolHistogram *extRefHist=nullptr)	RDKit::MolAlign::O3A
score()	RDKit::MolAlign::O3A	inline
trans(RDGeom::Transform3D &trans)	RDKit::MolAlign::O3A
weights()	RDKit::MolAlign::O3A	inline
~O3A()	RDKit::MolAlign::O3A	inline