Shape Toolkit Python Programming Manual

Previous: 7.5 OEColorOverlap Up: 7. Classes Next: 7.7 OEHighestColorTanimoto

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• 7.6.1 Constructors
• 7.6.2 GetFitTversky
• 7.6.3 GetRefTversky
• 7.6.4 GetTanimoto
• 7.6.5 GetTversky

   
7.6 OEColorResults

class OEColorResults

OEColorResults is a small struct that contains the results of a color overlap calculation.

float colorscore

Absolute color score.

float scaledcolor

Color score normalized against the reference molecule self color.

float refSelfColor

Self color of the reference molecule.

float fitSelfColor

Self color of the fit molecule.

7.6.1 Constructors

OEColorResults()

Default and copy constructors.

7.6.2 GetFitTversky

float GetFitTversky() const

7.6.3 GetRefTversky

float GetRefTversky() const

7.6.4 GetTanimoto

float GetTanimoto() const

7.6.5 GetTversky

float GetTversky(float alpha, float beta) const

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				Shape Toolkit Python Programming Manual

Previous: 7.5 OEColorOverlap Up: 7. Classes Next: 7.7 OEHighestColorTanimoto

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Documentation released on June 4, 2008.