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RDKit
Open-source cheminformatics and machine learning.
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RDKit
Open-source cheminformatics and machine learning.
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This is the complete list of members for RDMIF::VdWaals, including all inherited members.
| calcEnergy(double, double, double) const =0 | RDMIF::VdWaals | protectedpure 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 | protectedpure 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 |
1.13.2