This API is currently available in C++ and Python.
class OEMolFunc0 : public OEOpt::OEFunc0, public OEMolFunc
The OEMolFunc0 is an abstract base class. This class defines the interface for stateful functions which operate on molecules and conformers, compute a function value, but have no defined analytical gradients. OEMolFunc0 combines OEFunc0 with OEMolFunc interface. Classes derived from OEMolFunc0 are intended for use with optimizers which do not require gradients.
- The following methods are publicly inherited from OEFunc0:
- The following methods are publicly inherited from OEMolFunc:
- The following classes derive from this class: