bool OEAssignRadii(OEChem::OEMolBase &mol,


Assigns radii to all atoms in the given OEMolBase using calls to specific radii functions based on the values of molRadiiType and ionRadiiType, drawn from the OERadiiType namespace. Ions in a molecular complex can be assigned radii distinct from other species by specifying a value for ionRadiiType (for example OERadiiType::HonigIonicCavity_Robust).

The assigned radii of an OEAtomBase can be accessed by OEAtomBase::GetRadius method.