OERandomStarts

class OERandomStarts : public OEInertialStarts

The OERandomStarts represents the random starts for overlay optimization. The OERandomStarts translates the fit molecule to specified number of random starting points, followed by the inertial rotations to generate starts.

The following methods are publicly inherited from OEStarts:

The following methods are publicly inherited from OEInertialStarts:

The OERandomStarts class defines the following public methods:

GetMaxRandomTranslation
GetNumRandomStarts
GetRandomSeed
SetMaxRandomTranslation
SetNumRandomStarts
SetRandomSeed

Constructors

OERandomStarts() -> OERandomStarts
OERandomStarts(arg2: OERandomStarts) -> OERandomStarts

Default and copy constructors.

GetMaxRandomTranslation

GetMaxRandomTranslation() -> float

Returns the maximum allowed translation value currently set.

GetNumRandomStarts

GetNumRandomStarts() -> int

Returns the current value of the number of random starting points.

GetRandomSeed

GetRandomSeed() -> int

Returns the current value of the seed for random number generation.

SetMaxRandomTranslation

SetMaxRandomTranslation(argTrans: float) -> None

Sets the maximum allowed translation for generating the starting points. Default: 2.0.

SetNumRandomStarts

SetNumRandomStarts(argNumStarts: int)

Sets the number of random starting points to be generated. Default: 4.

SetRandomSeed

SetRandomSeed(argSeed: int) -> None

Sets the seed for random number generation. Default: 0.