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)

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: