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RDMIF::VdWaals Member List

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

calcEnergy(double, double, double) const =0 | RDMIF::VdWaals | protected pure virtual
d_cutoff | RDMIF::VdWaals | protected
d_mol | RDMIF::VdWaals | protected
d_nAtoms | RDMIF::VdWaals | protected
d_pos | RDMIF::VdWaals | protected
d_R_star_ij | RDMIF::VdWaals | protected
d_wellDepth | RDMIF::VdWaals | protected
fillVdwParamVectors(unsigned int atomIdx)=0 | RDMIF::VdWaals | protected pure virtual
fillVectors() | RDMIF::VdWaals | protected
operator()(double x, double y, double z, double thres) const | RDMIF::VdWaals |
operator=(const VdWaals &other)=delete | RDMIF::VdWaals |
operator=(VdWaals &&other)=default | RDMIF::VdWaals |
VdWaals()=default | RDMIF::VdWaals |
VdWaals(const RDKit::ROMol &mol, int confId=-1, double cutoff=1.0) | RDMIF::VdWaals |
VdWaals(const VdWaals &other)=delete | RDMIF::VdWaals |
VdWaals(VdWaals &&other)=default | RDMIF::VdWaals |
~VdWaals()=default | RDMIF::VdWaals | virtual