OEShapeGridOptions

class OEShapeGridOptions : public OESystem::OEOptions

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

The OEShapeGridOptions class defines the following public methods:

GetDerivativeType
GetGridSpacing
SetDerivativeType
SetGridSpacing

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.