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:

The following methods are publicly inherited from OEFunc1:

operator()

The following methods are publicly inherited from OEMolFunc:

The following methods are publicly inherited from OEOverlapFuncBase:

The following methods are publicly inherited from OEShapeFunc:

GetShapeOptions

The OEAnalyticShapeFunc class defines the following public methods:

GetAnalyticOptions

Constructors¶

OEAnalyticShapeFunc()
OEAnalyticShapeFunc(const OEShapeOptions&)
OEAnalyticShapeFunc(const OEAnalyticOptions&)
OEAnalyticShapeFunc(const OEShapeOptions&, const OEAnalyticOptions&)
OEAnalyticShapeFunc(const OEAnalyticShapeFunc&)

Default and copy constructors.

Constructs an OEAnalyticShapeFunc instance using the specified set of parameters.

operator=¶

OEAnalyticShapeFunc &operator=(const OEAnalyticShapeFunc &)

The assignment operator.

GetAnalyticOptions¶

const OEAnalyticOptions& GetAnalyticOptions() const

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