OEBestOverlayScore¶

class OEBestOverlayScore

This class represents OEBestOverlayScore.

Constructors¶

OEBestOverlayScore()
OEBestOverlayScore(const OEBestOverlayScore &rhs)

Default and copy constructors.

OEBestOverlayScore &operator=(const OEBestOverlayScore &rhs)

float GetColorTanimoto() const

float GetColorTversky(float alpha=0.95f, float beta=0.05f) const

float GetComboScore() const

float GetFitColorTversky() const

float GetFitTversky() const

float GetFitTverskyCombo() const

float GetRefColorTversky() const

float GetRefTversky() const

float GetRefTverskyCombo() const

void GetRotMatrix(float *rmat) const

float GetTanimotoCombo() const

float GetTversky(float alpha=0.95f, float beta=0.05f) const

bool Transform(OEChem::OEMolBase &mol) const
bool Transform(OEChem::OEConfBase &mol) const

void GetTranslation(float *trans) const