OEBestOverlayScore

class OEBestOverlayScore

This class represents OEBestOverlayScore.

Constructors

OEBestOverlayScore()
OEBestOverlayScore(const OEBestOverlayScore &rhs)

Default and copy constructors.

operator=

OEBestOverlayScore &operator=(const OEBestOverlayScore &rhs)

GetColorTanimoto

float GetColorTanimoto() const

GetColorTversky

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

GetComboScore

float GetComboScore() const

GetFitColorTversky

float GetFitColorTversky() const

GetFitTversky

float GetFitTversky() const

GetFitTverskyCombo

float GetFitTverskyCombo() const

GetRefColorTversky

float GetRefColorTversky() const

GetRefTversky

float GetRefTversky() const

GetRefTverskyCombo

float GetRefTverskyCombo() const

GetRotMatrix

void GetRotMatrix(float *rmat) const

GetTanimotoCombo

float GetTanimotoCombo() const

GetTversky

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

Transform

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

GetTranslation

void GetTranslation(float *trans) const