OEExactShapeFunc

class OEExactShapeFunc : public OEShapeFunc

The OEExactShapeFunc class defines shape overlap between a reference object and a fit molecule, using the Exact method.

The following methods are publicly inherited from OEFunc0:

• operator()

• GetFComponents

• NumVar

The following methods are publicly inherited from OEFunc1:

• operator()

The following methods are publicly inherited from OEMolFunc:

• GetInteractions

• Setup

The following methods are publicly inherited from OEOverlapFuncBase:

• Overlap

• SetupFlex

• SetupRef

The following methods are publicly inherited from OEShapeFunc:

• GetShapeOptions

Constructors

OEExactShapeFunc(argOptions: OEShapeOptions = OEShapeOptions()) -> OEExactShapeFunc
OEExactShapeFunc(arg2: OEExactShapeFunc) -> OEExactShapeFunc

Default and copy constructors.

Constructs an OEExactShapeFunc instance using the specified set of parameters.