|virtual bool||IsGood (const OBMol &mol, const RotorKey &key, double *coords)=0|
Interface used by OBConformerSearch for filtering conformers.
The OBConformerFilter class defines an interface used by the OBConformerSearch class. A conformer filter is used as a first selection method when generating conformers. A typical example is a steric filter to ensure atoms are never closer than some specified distance.
Member Function Documentation
The documentation for this class was generated from the following file: