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:

• CreateCopy
• GetNumOfStarts
• GetStarts
• Setup
• SetupRef

The following methods are publicly inherited from OEInertialStarts:

• GetSymmetryThreshold
• SetSymmetryThreshold

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.