GetConformers(OBMol &mol) | OBConformerSearch | |
GetRotorKeys() const | OBConformerSearch | [inline] |
OBConformerSearch() | OBConformerSearch | |
Search() | OBConformerSearch | |
SetConvergence(int convergence) | OBConformerSearch | [inline] |
SetFilter(OBConformerFilter *filter) | OBConformerSearch | [inline] |
SetFixedBonds(const OBBitVec &fixedBonds) | OBConformerSearch | [inline] |
SetMutability(int mutability) | OBConformerSearch | [inline] |
SetNumChildren(int numChildren) | OBConformerSearch | [inline] |
SetNumConformers(int numConformers) | OBConformerSearch | [inline] |
SetScore(OBConformerScore *score) | OBConformerSearch | [inline] |
Setup(const OBMol &mol, int numConformers=30, int numChildren=5, int mutability=5, int convergence=25) | OBConformerSearch | |
~OBConformerSearch() | OBConformerSearch |