CDPL.Pharm.FileScreeningHitCollector Class Reference

FileScreeningHitCollector. More...

Inheritance diagram for CDPL.Pharm.FileScreeningHitCollector:

Public Member Functions
None	__init__ (FileScreeningHitCollector collector)
	Initializes a copy of the FileScreeningHitCollector instance collector. More...
None	__init__ (Chem.MolecularGraphWriterBase writer)
	Initializes the FileScreeningHitCollector instance. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
FileScreeningHitCollector	assign (FileScreeningHitCollector collector)
	Replaces the current state of self with a copy of the state of the FileScreeningHitCollector instance collector. More...
None	setDataWriter (Chem.MolecularGraphWriterBase writer)
Chem.MolecularGraphWriterBase	getDataWriter ()
None	alignHitMolecule (bool align)
bool	alignHitMolecule ()
None	outputScoreProperty (bool output)
bool	outputScoreProperty ()
None	outputDBNameProperty (bool output)
bool	outputDBNameProperty ()
None	outputDBMoleculeIndexProperty (bool output)
bool	outputDBMoleculeIndexProperty ()
None	outputMoleculeConfIndexProperty (bool output)
bool	outputMoleculeConfIndexProperty ()
bool	__call__ (SearchHit hit, float score)

Properties
	objectID = property(getObjectID)
	dataWriter = property(getDataWriter, setDataWriter)
	alignHitMol = property(alignHitMolecule, alignHitMolecule)
	outputScoreProp = property(outputScoreProperty, outputScoreProperty)
	outputDBNameProp = property(outputDBNameProperty, outputDBNameProperty)
	outputDBMoleculeIndexProp = property(outputDBMoleculeIndexProperty, outputDBMoleculeIndexProperty)
	outputMoleculeConfIndexProp = property(outputMoleculeConfIndexProperty, outputMoleculeConfIndexProperty)

Detailed Description

FileScreeningHitCollector.

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.Pharm.FileScreeningHitCollector.__init__

(

FileScreeningHitCollector

collector

)

Initializes a copy of the FileScreeningHitCollector instance collector.

Parameters

collector

The FileScreeningHitCollector instance to copy.

__init__() [2/2]

None CDPL.Pharm.FileScreeningHitCollector.__init__

(

Chem.MolecularGraphWriterBase

writer

)

Initializes the FileScreeningHitCollector instance.

Parameters

writer

Member Function Documentation

getObjectID()

int CDPL.Pharm.FileScreeningHitCollector.getObjectID

(

)

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

Different Python FileScreeningHitCollector 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 FileScreeningHitCollector 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()

FileScreeningHitCollector CDPL.Pharm.FileScreeningHitCollector.assign

(

FileScreeningHitCollector

collector

)

Replaces the current state of self with a copy of the state of the FileScreeningHitCollector instance collector.

Parameters

collector

The FileScreeningHitCollector instance to copy.

Returns

self

setDataWriter()

None CDPL.Pharm.FileScreeningHitCollector.setDataWriter

(

Chem.MolecularGraphWriterBase

writer

)

Parameters

writer

getDataWriter()

Chem.MolecularGraphWriterBase CDPL.Pharm.FileScreeningHitCollector.getDataWriter

(

)

Returns

alignHitMolecule() [1/2]

None CDPL.Pharm.FileScreeningHitCollector.alignHitMolecule

(

bool

align

)

Parameters

align

alignHitMolecule() [2/2]

bool CDPL.Pharm.FileScreeningHitCollector.alignHitMolecule

(

)

Returns

outputScoreProperty() [1/2]

None CDPL.Pharm.FileScreeningHitCollector.outputScoreProperty

(

bool

output

)

Parameters

output

outputScoreProperty() [2/2]

bool CDPL.Pharm.FileScreeningHitCollector.outputScoreProperty

(

)

Returns

outputDBNameProperty() [1/2]

None CDPL.Pharm.FileScreeningHitCollector.outputDBNameProperty

(

bool

output

)

Parameters

output

outputDBNameProperty() [2/2]

bool CDPL.Pharm.FileScreeningHitCollector.outputDBNameProperty

(

)

Returns

outputDBMoleculeIndexProperty() [1/2]

None CDPL.Pharm.FileScreeningHitCollector.outputDBMoleculeIndexProperty

(

bool

output

)

Parameters

output

outputDBMoleculeIndexProperty() [2/2]

bool CDPL.Pharm.FileScreeningHitCollector.outputDBMoleculeIndexProperty

(

)

Returns

outputMoleculeConfIndexProperty() [1/2]

None CDPL.Pharm.FileScreeningHitCollector.outputMoleculeConfIndexProperty

(

bool

output

)

Parameters

output

outputMoleculeConfIndexProperty() [2/2]

bool CDPL.Pharm.FileScreeningHitCollector.outputMoleculeConfIndexProperty

(

)

Returns

__call__()

bool CDPL.Pharm.FileScreeningHitCollector.__call__	(	SearchHit	hit,
		float	score
	)

Parameters

hit
score

Returns