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RDMIF::UFFVdWaals Member List

This is the complete list of members for RDMIF::UFFVdWaals, including all inherited members.

d_cutoffRDMIF::VdWaalsprotected
d_molRDMIF::VdWaalsprotected
d_nAtomsRDMIF::VdWaalsprotected
d_posRDMIF::VdWaalsprotected
d_R_star_ijRDMIF::VdWaalsprotected
d_wellDepthRDMIF::VdWaalsprotected
fillVectors()RDMIF::VdWaalsprotected
operator()(double x, double y, double z, double thres) constRDMIF::VdWaals
operator=(const UFFVdWaals &other)=deleteRDMIF::UFFVdWaals
operator=(UFFVdWaals &&other)=defaultRDMIF::UFFVdWaals
RDMIF::VdWaals::operator=(const VdWaals &other)=deleteRDMIF::VdWaals
RDMIF::VdWaals::operator=(VdWaals &&other)=defaultRDMIF::VdWaals
UFFVdWaals(const RDKit::ROMol &mol, int confId=-1, const std::string &probeAtomType="O_3", double cutoff=1.0)RDMIF::UFFVdWaals
UFFVdWaals(const UFFVdWaals &other)=deleteRDMIF::UFFVdWaals
UFFVdWaals(UFFVdWaals &&other)=defaultRDMIF::UFFVdWaals
VdWaals()=defaultRDMIF::VdWaals
VdWaals(const RDKit::ROMol &mol, int confId=-1, double cutoff=1.0)RDMIF::VdWaals
VdWaals(const VdWaals &other)=deleteRDMIF::VdWaals
VdWaals(VdWaals &&other)=defaultRDMIF::VdWaals
~UFFVdWaals()=defaultRDMIF::UFFVdWaals
~VdWaals()=defaultRDMIF::VdWaalsvirtual