OEAnalyticOptions

class OEAnalyticOptions : public OESystem::OEOptions

This class provides an interface to setup options required for calculations with the Analytic method.

The OEAnalyticOptions class defines the following public methods:

Constructors

OEAnalyticOptions() -> OEAnalyticOptions
OEAnalyticOptions(arg2: OEAnalyticOptions) -> OEAnalyticOptions

Default and copy constructors.

GetExpType() -> int

Gets the current value of the exponential type used by the function.

GetProxyGridCutoff() -> float

Gets the proxy grid cutoff currently set.

GetUseProxyGrid() -> bool

Returns the state of the use proxy grid flag. If true, proxy grid would be used to decide if an atom pair should be included in calculations.

SetExpType(value: int) -> bool

Set the exponential type to be used for calculation. The default is OEExponentialType_Standard. Alternatives are defined in the OEExponentialType namespace.

SetProxyGridCutoff(value: float) -> bool

Set the radius to use when using proxy grid is turned on. By default this is set to 3.0 Å.

SetUseProxyGrid(value: bool) -> bool

Sets the state of the use proxy grid flag. If true, proxy grid would be used to decide if an atom pair should be included in calculations.