OEShapeGridOptions¶

class OEShapeGridOptions


This class provides an interface to setup options required for calculations using the Grid method.

The OEShapeGridOptions class defines the following public methods:

Constructors¶

OEShapeGridOptions()
OEShapeGridOptions(const OEShapeGridOptions&)


Default and copy constructors.

operator=¶

OEShapeGridOptions &operator=(const OEShapeGridOptions &)


GetDerivativeType¶

unsigned int GetDerivativeType() const


Gets the current value of the derivative type to be used on Grid method.

GetGridSpacing¶

double GetGridSpacing() const


Gets the grid spacing to be used on Grid method.

SetDerivativeType¶

bool SetDerivativeType(const unsigned int)


Set the derivative type to be used on Grid method. The default is OEDerivativeType.NearestValue for shape overlap and OEDerivativeType.Interpolated for color overlap. Alternatives are defined in the OEDerivativeType namespace.

SetGridSpacing¶

bool SetGridSpacing(const double)


Set the grid spacing to be used on Grid method. By default this is set to 0.25 Å.