Inheritance diagram for CDPL::Pharm::PharmacophoreFitScreeningScore:

Public Member Functions
	PharmacophoreFitScreeningScore (double ftr_match_cnt_weight=DEF_FTR_MATCH_COUNT_WEIGHT, double ftr_pos_match_weight=DEF_FTR_POS_MATCH_WEIGHT, double ftr_geom_match_weight=DEF_FTR_GEOM_MATCH_WEIGHT)

double	operator() (const ScreeningProcessor::SearchHit &hit)

Public Member Functions inherited from CDPL::Pharm::PharmacophoreFitScore
	PharmacophoreFitScore (double match_cnt_weight=DEF_FTR_MATCH_COUNT_WEIGHT, double pos_match_weight=DEF_FTR_POS_MATCH_WEIGHT, double geom_match_weight=DEF_FTR_GEOM_MATCH_WEIGHT)

double	getFeatureMatchCountWeight () const

void	setFeatureMatchCountWeight (double weight)

double	getFeaturePositionMatchWeight () const

void	setFeaturePositionMatchWeight (double weight)

double	getFeatureGeometryMatchWeight () const

void	setFeatureGeometryMatchWeight (double weight)

void	groupReferenceFeatures (bool group)

bool	referenceFeaturesGrouped () const

double	operator() (const FeatureContainer &ref_ftrs, const FeatureContainer &algnd_ftrs, const Math::Matrix4D &xform)

double	operator() (const FeatureContainer &ref_ftrs, const SpatialFeatureMapping &mapping)

Additional Inherited Members
Static Public Attributes inherited from CDPL::Pharm::PharmacophoreFitScore
static constexpr double	DEF_FTR_MATCH_COUNT_WEIGHT = 1.0

static constexpr double	DEF_FTR_POS_MATCH_WEIGHT = 0.5

static constexpr double	DEF_FTR_GEOM_MATCH_WEIGHT = 0.4

Detailed Description

Constructor & Destructor Documentation

CDPL::Pharm::PharmacophoreFitScreeningScore::PharmacophoreFitScreeningScore	(	double	ftr_match_cnt_weight = `DEF_FTR_MATCH_COUNT_WEIGHT`,
		double	ftr_pos_match_weight = `DEF_FTR_POS_MATCH_WEIGHT`,
		double	ftr_geom_match_weight = `DEF_FTR_GEOM_MATCH_WEIGHT`
	)

double CDPL::Pharm::PharmacophoreFitScreeningScore::operator() ( const ScreeningProcessor::SearchHit & hit )

The documentation for this class was generated from the following file: