CDPL.GRAIL.FeatureInteractionScoreGridCalculator Class Reference

FeatureInteractionScoreGridCalculator. More...

Inheritance diagram for CDPL.GRAIL.FeatureInteractionScoreGridCalculator:

Classes
class	MaxScoreFunctor
class	ScoreSumFunctor

Public Member Functions
None	__init__ ()
	Initializes the FeatureInteractionScoreGridCalculator instance.
None	__init__ (DoubleVector3DFeatureFunctor func)
	Initializes the FeatureInteractionScoreGridCalculator instance. More...
None	__init__ (DoubleVector3DFeatureFunctor scoring_func, Math.DoubleDVectorFunctor comb_func)
	Initializes the FeatureInteractionScoreGridCalculator instance. More...
None	__init__ (FeatureInteractionScoreGridCalculator calc)
	Initializes a copy of the FeatureInteractionScoreGridCalculator instance calc. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
FeatureInteractionScoreGridCalculator	assign (FeatureInteractionScoreGridCalculator calc)
	Replaces the current state of self with a copy of the state of the FeatureInteractionScoreGridCalculator instance calc. More...
None	setDistanceCutoff (float dist)
float	getDistanceCutoff ()
None	setScoringFunction (DoubleVector3DFeatureFunctor func)
DoubleVector3DFeatureFunctor	getScoringFunction ()
None	setScoreCombinationFunction (Math.DoubleDVectorFunctor func)
Math.DoubleDVectorFunctor	getScoreCombinationFunction ()
None	setFeatureSelectionPredicate (Pharm.BoolFeatureFunctor func)
Pharm.BoolFeatureFunctor	getFeatureSelectionPredicate ()
None	normalizeScores (bool normalize)
bool	scoresNormalized ()
None	calculate (Pharm.FeatureContainer tgt_ftrs, Grid.DSpatialGrid grid)

Properties
	objectID = property(getObjectID)
	normScores = property(getAtom3DCoordinatesFunction, setAtom3DCoordinatesFunction)
	distanceCutoff = property(getDistanceCutoff, setDistanceCutoff)
	scoringFunction = property(getScoringFunction, setScoringFunction)
	scoreCombinationFunction = property(getScoreCombinationFunction, setScoreCombinationFunction)
	featureSelectionPredicate = property(getFeatureSelectionPredicate, setFeatureSelectionPredicate)

Detailed Description

FeatureInteractionScoreGridCalculator.

Constructor & Destructor Documentation

__init__() [1/3]

None CDPL.GRAIL.FeatureInteractionScoreGridCalculator.__init__

(

DoubleVector3DFeatureFunctor

func

)

Initializes the FeatureInteractionScoreGridCalculator instance.

Parameters

func

__init__() [2/3]

None CDPL.GRAIL.FeatureInteractionScoreGridCalculator.__init__	(	DoubleVector3DFeatureFunctor	scoring_func,
		Math.DoubleDVectorFunctor	comb_func
	)

Initializes the FeatureInteractionScoreGridCalculator instance.

Parameters

scoring_func
comb_func

__init__() [3/3]

None CDPL.GRAIL.FeatureInteractionScoreGridCalculator.__init__

(

FeatureInteractionScoreGridCalculator

calc

)

Initializes a copy of the FeatureInteractionScoreGridCalculator instance calc.

Parameters

calc	The FeatureInteractionScoreGridCalculator instance to copy.

Member Function Documentation

getObjectID()

int CDPL.GRAIL.FeatureInteractionScoreGridCalculator.getObjectID

(

)

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

Different Python FeatureInteractionScoreGridCalculator 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 FeatureInteractionScoreGridCalculator 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()

FeatureInteractionScoreGridCalculator CDPL.GRAIL.FeatureInteractionScoreGridCalculator.assign

(

FeatureInteractionScoreGridCalculator

calc

)

Replaces the current state of self with a copy of the state of the FeatureInteractionScoreGridCalculator instance calc.

Parameters

calc	The FeatureInteractionScoreGridCalculator instance to copy.

Returns

self

setDistanceCutoff()

None CDPL.GRAIL.FeatureInteractionScoreGridCalculator.setDistanceCutoff

(

float

dist

)

Parameters

dist

getDistanceCutoff()

float CDPL.GRAIL.FeatureInteractionScoreGridCalculator.getDistanceCutoff

(

)

Returns

setScoringFunction()

None CDPL.GRAIL.FeatureInteractionScoreGridCalculator.setScoringFunction

(

DoubleVector3DFeatureFunctor

func

)

Parameters

func

getScoringFunction()

DoubleVector3DFeatureFunctor CDPL.GRAIL.FeatureInteractionScoreGridCalculator.getScoringFunction

(

)

Returns

setScoreCombinationFunction()

None CDPL.GRAIL.FeatureInteractionScoreGridCalculator.setScoreCombinationFunction

(

Math.DoubleDVectorFunctor

func

)

Parameters

func

getScoreCombinationFunction()

Math.DoubleDVectorFunctor CDPL.GRAIL.FeatureInteractionScoreGridCalculator.getScoreCombinationFunction

(

)

Returns

setFeatureSelectionPredicate()

None CDPL.GRAIL.FeatureInteractionScoreGridCalculator.setFeatureSelectionPredicate

(

Pharm.BoolFeatureFunctor

func

)

Parameters

func

getFeatureSelectionPredicate()

Pharm.BoolFeatureFunctor CDPL.GRAIL.FeatureInteractionScoreGridCalculator.getFeatureSelectionPredicate

(

)

Returns

normalizeScores()

None CDPL.GRAIL.FeatureInteractionScoreGridCalculator.normalizeScores

(

bool

normalize

)

Parameters

normalize

scoresNormalized()

bool CDPL.GRAIL.FeatureInteractionScoreGridCalculator.scoresNormalized

(

)

Returns

calculate()

None CDPL.GRAIL.FeatureInteractionScoreGridCalculator.calculate	(	Pharm.FeatureContainer	tgt_ftrs,
		Grid.DSpatialGrid	grid
	)

Parameters

tgt_ftrs
grid