OEMolFunc0ΒΆ
Attention
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:
- OEMolFunc1
- OEMolFunc2
- OEForceField
- OEGenericFF
- OEGenericFF2
- OEInterAdaptor
- OEMolAdaptor
- OEQuatAdaptor
- OESubsetAdaptor
- OETorAdaptor
- OETorQuatAdaptor
- OENumericMolFunc2
- OEScaledMolFunc
- OEHarmonicPotential
- OEMMFF
- OEMMFFBend
- OEMMFFCoulomb
- OEMMFFInterCoulomb
- OEMMFFInterVdw
- OEMMFFInterVdwNN
- OEMMFFOutOfPlane
- OEMMFFStretch
- OEMMFFStretchBend
- OEMMFFTorsion
- OEMMFFVdw
- OEMMFFAmber
- OEMMFFIEFF
- OESheffield
- OEOverlapFuncBase
- OEOverlapFunc
- OEShapeFunc
- OEExactShapeFunc
- OEAnalyticShapeFunc
- OEHermiteShapeFunc
- OEGridShapeFunc
- OEColorFunc
- OEExactColorFunc
- OEAnalyticColorFunc
- OEGridColorFunc