CDPL.Pharm.PharmacophoreFitScreeningScore Class Reference

PharmacophoreFitScreeningScore. More...

Inheritance diagram for CDPL.Pharm.PharmacophoreFitScreeningScore:

Public Member Functions
None	__init__ (PharmacophoreFitScreeningScore score)
	Initializes a copy of the PharmacophoreFitScreeningScore instance score. More...
None	__init__ (float match_cnt_weight=1.0, float pos_match_weight=0.5, float geom_match_weight=0.4)
	Initializes the PharmacophoreFitScreeningScore instance. More...
float	__call__ (SearchHit hit)
Public Member Functions inherited from CDPL.Pharm.PharmacophoreFitScore
None	__init__ (PharmacophoreFitScore score)
	Initializes a copy of the PharmacophoreFitScore instance score. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
PharmacophoreFitScore	assign (PharmacophoreFitScore score)
	Replaces the current state of self with a copy of the state of the PharmacophoreFitScore instance score. More...
float	getFeatureMatchCountWeight ()
None	setFeatureMatchCountWeight (float weight)
float	getFeaturePositionMatchWeight ()
None	setFeaturePositionMatchWeight (float weight)
float	getFeatureGeometryMatchWeight ()
None	setFeatureGeometryMatchWeight (float weight)
float	__call__ (FeatureContainer ref_ftrs, FeatureContainer algnd_ftrs, Math.Matrix4D xform)
float	__call__ (FeatureContainer ref_ftrs, SpatialFeatureMapping mapping)

Additional Inherited Members
Static Public Attributes inherited from CDPL.Pharm.PharmacophoreFitScore
float	DEF_FTR_MATCH_COUNT_WEIGHT = 1.0
float	DEF_FTR_POS_MATCH_WEIGHT = 0.5
float	DEF_FTR_GEOM_MATCH_WEIGHT = 0.4
Properties inherited from CDPL.Pharm.PharmacophoreFitScore
	objectID = property(getObjectID)
	featureMatchCountWeight = property(getFeatureMatchCountWeight, setFeatureMatchCountWeight)
	featurePositionMatchWeight = property(getFeaturePositionMatchWeight, setFeaturePositionMatchWeight)
	featureGeometryMatchWeight = property(getFeatureGeometryMatchWeight, setFeatureGeometryMatchWeight)

Detailed Description

PharmacophoreFitScreeningScore.

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.Pharm.PharmacophoreFitScreeningScore.__init__

(

PharmacophoreFitScreeningScore

score

)

Initializes a copy of the PharmacophoreFitScreeningScore instance score.

Parameters

score

The PharmacophoreFitScreeningScore instance to copy.

__init__() [2/2]

None CDPL.Pharm.PharmacophoreFitScreeningScore.__init__	(	float	match_cnt_weight = 1.0,
		float	pos_match_weight = 0.5,
		float	geom_match_weight = 0.4
	)

Initializes the PharmacophoreFitScreeningScore instance.

Parameters

match_cnt_weight
pos_match_weight
geom_match_weight

Reimplemented from CDPL.Pharm.PharmacophoreFitScore.

Member Function Documentation

__call__()

float CDPL.Pharm.PharmacophoreFitScreeningScore.__call__

(

SearchHit

hit

)

Parameters

hit

Returns