OEELFOptions

class OEELFOptions : public OESystem::OEOptions

This class provides an interface to setup options required for OEELF calculations.

The OEELFOptions class defines the following public methods:

• GetElfLimit and SetElfLimit

• GetPercent and SetPercent

Constructors

OEELFOptions() -> OEELFOptions
OEELFOptions(arg2: OEELFOptions) -> OEELFOptions

Default and copy constructors.

GetElfLimit

GetElfLimit() -> int

See SetElfLimit method.

GetPercent

GetPercent() -> float

See SetPercent method.

SetElfLimit

SetElfLimit(value: int) -> bool

Sets the number of diverse conformers to select from the least interacting conformers set. Default: 10

SetPercent

SetPercent(value: float) -> bool

Sets the percentage of input conformers to select as the electrostatically least-interacting set. Default: 2.0