CDPL.Pharm.ScreeningProcessor.SearchHit Class Reference

Inheritance diagram for CDPL.Pharm.ScreeningProcessor.SearchHit:

Public Member Functions
None	__init__ (ScreeningProcessor hit_prov, FeatureContainer qry_pharm, FeatureContainer hit_pharm, Chem.Molecule mol, Math.Matrix4D xform, int pharm_idx, int mol_idx, int conf_idx)
	Initializes the SearchHit instance. More...
None	__init__ (SearchHit hit)
	Initializes a copy of the SearchHit instance hit. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
SearchHit	assign (SearchHit hit)
	Replaces the current state of self with a copy of the state of the SearchHit instance hit. More...
ScreeningProcessor	getHitProvider ()
FeatureContainer	getQueryPharmacophore ()
FeatureContainer	getHitPharmacophore ()
Chem.Molecule	getHitMolecule ()
Math.Matrix4D	getHitAlignmentTransform ()
int	getHitPharmacophoreIndex ()
int	getHitMoleculeIndex ()
int	getHitConformationIndex ()

Properties
	objectID = property(getObjectID)
	hitProvider = property(getHitProvider)
	queryPharmacophore = property(getQueryPharmacophore)
	hitPharmacophore = property(getHitPharmacophore)
	hitMolecule = property(getHitMolecule)
	hitAlignmentTransform = property(getHitAlignmentTransform)
	hitPharmacophoreIndex = property(getHitPharmacophoreIndex)
	hitMoleculeIndex = property(getHitMoleculeIndex)
	hitConformationIndex = property(getHitConformationIndex)

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.Pharm.ScreeningProcessor.SearchHit.__init__	(	ScreeningProcessor	hit_prov,
		FeatureContainer	qry_pharm,
		FeatureContainer	hit_pharm,
		Chem.Molecule	mol,
		Math.Matrix4D	xform,
		int	pharm_idx,
		int	mol_idx,
		int	conf_idx
	)

Initializes the SearchHit instance.

Parameters

hit_prov
qry_pharm
hit_pharm
mol
xform
pharm_idx
mol_idx
conf_idx

__init__() [2/2]

None CDPL.Pharm.ScreeningProcessor.SearchHit.__init__

(

SearchHit

hit

)

Initializes a copy of the SearchHit instance hit.

Parameters

hit	The SearchHit instance to copy.

Member Function Documentation

getObjectID()

int CDPL.Pharm.ScreeningProcessor.SearchHit.getObjectID

(

)

Returns the numeric identifier (ID) of the wrapped C++ class instance.

Different Python SearchHit instances may reference the same underlying C++ class instance. The commonly used Python expression a is not b thus cannot tell reliably whether the two SearchHit instances a and b reference different C++ objects. The numeric identifier returned by this method allows to correctly implement such an identity test via the simple expression a.getObjectID() != b.getObjectID().

Returns

The numeric ID of the internally referenced C++ class instance.

assign()

SearchHit CDPL.Pharm.ScreeningProcessor.SearchHit.assign

(

SearchHit

hit

)

Replaces the current state of self with a copy of the state of the SearchHit instance hit.

Parameters

hit	The SearchHit instance to copy.

Returns

self

getHitProvider()

ScreeningProcessor CDPL.Pharm.ScreeningProcessor.SearchHit.getHitProvider

(

)

Returns

getQueryPharmacophore()

FeatureContainer CDPL.Pharm.ScreeningProcessor.SearchHit.getQueryPharmacophore

(

)

Returns

getHitPharmacophore()

FeatureContainer CDPL.Pharm.ScreeningProcessor.SearchHit.getHitPharmacophore

(

)

Returns

getHitMolecule()

Chem.Molecule CDPL.Pharm.ScreeningProcessor.SearchHit.getHitMolecule

(

)

Returns

getHitAlignmentTransform()

Math.Matrix4D CDPL.Pharm.ScreeningProcessor.SearchHit.getHitAlignmentTransform

(

)

Returns

getHitPharmacophoreIndex()

int CDPL.Pharm.ScreeningProcessor.SearchHit.getHitPharmacophoreIndex

(

)

Returns

getHitMoleculeIndex()

int CDPL.Pharm.ScreeningProcessor.SearchHit.getHitMoleculeIndex

(

)

Returns

getHitConformationIndex()

int CDPL.Pharm.ScreeningProcessor.SearchHit.getHitConformationIndex

(

)

Returns