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(const OERandomStarts&)

Default and copy constructors.

operator=¶

OERandomStarts &operator=(const OERandomStarts &)

The assignment operator.

GetMaxRandomTranslation¶

double GetMaxRandomTranslation() const
Returns the maximum allowed translation value currently set.

GetNumRandomStarts¶

unsigned int GetNumRandomStarts() const

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

GetRandomSeed¶

unsigned int GetRandomSeed() const

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

SetMaxRandomTranslation¶

void SetMaxRandomTranslation(const double)

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

SetNumRandomStarts¶

unsigned int GetNumRandomStarts(const unsigned int num) const

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

SetRandomSeed¶

unsigned int SetRandomSeed(const unsigned int seed) const

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