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(const OEShapeOptions& argOptions = OEShapeOptions())
OEAnalyticShapeFunc(const OEAnalyticOptions&)
OEAnalyticShapeFunc(const OEShapeOptions& argShape,
                    const OEAnalyticOptions& argAnalytic)
OEAnalyticShapeFunc(const OEAnalyticShapeFunc&)

Default and copy constructors.

Constructs an OEAnalyticShapeFunc instance using the specified set of parameters.

GetAnalyticOptions

const OEAnalyticOptions& GetAnalyticOptions() const

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