OEAnalyticShapeFunc

class OEAnalyticShapeFunc : public OEShapeFunc

The OEAnalyticShapeFunc class defines shape overlap between a reference object and a fit molecule, using the Analytic 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

The OEAnalyticShapeFunc class defines the following public methods:

• GetAnalyticOptions

Constructors

OEAnalyticShapeFunc(argOptions: OEShapeOptions = OEShapeOptions()) -> OEAnalyticShapeFunc
OEAnalyticShapeFunc(argOptions: OEAnalyticOptions) -> OEAnalyticShapeFunc
OEAnalyticShapeFunc(argShape: OEShapeOptions,
                    argAnalytic: OEAnalyticOptions) -> OEAnalyticShapeFunc
OEAnalyticShapeFunc(argFunc: OEAnalyticShapeFunc) -> OEAnalyticShapeFunc

Default and copy constructors.

Constructs an OEAnalyticShapeFunc instance using the specified set of parameters.

GetAnalyticOptions

GetAnalyticOptions() -> OEAnalyticOptions

Returns a reference to the OEAnalyticOptions instance as currently set for this OEAnalyticShapeFunc.