OEColorOverlap

class OEColorOverlap

Note

This deprecated class will not be developed further. It is being replaced by derivatives of OEColorFunc which provides more control and greater expandability.

Calculates chemical feature color overlap between a reference and a fit molecule.

Constructors

OEColorOverlap()
OEColorOverlap(const OEColorOverlap& rhs)

Default and copy constructors.

ColorScore

bool ColorScore(OEColorResults& res)
bool ColorScore(const OEChem::OEMolBase& fitmol,
                OEColorResults& res)

GetAllColor

bool GetAllColor() const

GetSelfColor

float GetSelfColor() const

SetAllColor

void SetAllColor(bool state)

SetColorForceField

bool SetColorForceField(unsigned int cffType)
bool SetColorForceField(OEPlatform::oeistream& is)
bool SetColorForceField(const std::string& filename)
bool SetColorForceField(const OEColorForceField& cff)

SetFitMol

bool SetFitMol(const OEChem::OEMolBase& fitmol)

SetRefMol

bool SetRefMol(const OEChem::OEMolBase& refmol)