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:
operator=¶
OERandomStarts &operator=(const OERandomStarts &)The assignment operator.
GetMaxRandomTranslation¶
double GetMaxRandomTranslation() constReturns 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.