CDPL.Pharm.FeaturePositionMatchFunctor Class Reference

Match functor that quantifies the goodness of the 3D-position match between two pharmacophore features by comparing their separation against the configured per-feature tolerance. More...

Inheritance diagram for CDPL.Pharm.FeaturePositionMatchFunctor:

Public Member Functions
None	__init__ (FeaturePositionMatchFunctor func)
	Initializes a copy of the FeaturePositionMatchFunctor instance func. More...
None	__init__ (bool query_mode)
	Constructs the FeaturePositionMatchFunctor instance. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
FeaturePositionMatchFunctor	assign (FeaturePositionMatchFunctor func)
	Replaces the current state of self with a copy of the state of the FeaturePositionMatchFunctor instance func. More...
bool	queryMode ()
	Tells whether the functor operates in query mode. More...
bool	__call__ (Feature ftr1, Feature ftr2)
	Checks if the distance between ftr1 and ftr2 is below the allowed maximum and calculates a score reflecting their proximity. More...
bool	__call__ (Feature ftr1, Feature ftr2, Math.Matrix4D xform)
	Checks if the distance between ftr1 and ftr2 is below the allowed maximum and calculates a score reflecting their proximity. More...

Properties
	objectID = property(getObjectID)
	qryMode = property(queryMode)

Detailed Description

Match functor that quantifies the goodness of the 3D-position match between two pharmacophore features by comparing their separation against the configured per-feature tolerance.

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.Pharm.FeaturePositionMatchFunctor.__init__

(

FeaturePositionMatchFunctor

func

)

Initializes a copy of the FeaturePositionMatchFunctor instance func.

Parameters

func	The FeaturePositionMatchFunctor instance to copy.

__init__() [2/2]

None CDPL.Pharm.FeaturePositionMatchFunctor.__init__

(

bool

query_mode

)

Constructs the FeaturePositionMatchFunctor instance.

Parameters

query_mode

If True, the tolerance of the first feature defines the allowed maximum distance; if False, the maximum of the two feature tolerances is used.

Member Function Documentation

getObjectID()

int CDPL.Pharm.FeaturePositionMatchFunctor.getObjectID

(

)

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

Different Python FeaturePositionMatchFunctor 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 FeaturePositionMatchFunctor 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()

FeaturePositionMatchFunctor CDPL.Pharm.FeaturePositionMatchFunctor.assign

(

FeaturePositionMatchFunctor

func

)

Replaces the current state of self with a copy of the state of the FeaturePositionMatchFunctor instance func.

Parameters

func	The FeaturePositionMatchFunctor instance to copy.

Returns

self

queryMode()

bool CDPL.Pharm.FeaturePositionMatchFunctor.queryMode

(

)

Tells whether the functor operates in query mode.

Returns

True if query mode is active, and False otherwise.

__call__() [1/2]

bool CDPL.Pharm.FeaturePositionMatchFunctor.__call__	(	Feature	ftr1,
		Feature	ftr2
	)

Checks if the distance between ftr1 and ftr2 is below the allowed maximum and calculates a score reflecting their proximity.

If in 'query mode', the tolerance of ftr1 specifies the allowed maximum distance. Otherwise, the maximum tolerance of the features takes effect.

Parameters

ftr1	The first feature.
ftr2	The second feature.

Returns

A score from 0 (=outside effective tolerance) and 1 (exact position match) that specifies the proximity of the features.

See also

Pharm.getPosition(const Feature&), Pharm.getTolerance(const Feature&)

__call__() [2/2]

bool CDPL.Pharm.FeaturePositionMatchFunctor.__call__	(	Feature	ftr1,
		Feature	ftr2,
		Math.Matrix4D	xform
	)

Checks if the distance between ftr1 and ftr2 is below the allowed maximum and calculates a score reflecting their proximity.

If in 'query mode', the tolerance of ftr1 specifies the allowed maximum distance. Otherwise, the maximum tolerance of the features takes effect.

Parameters

ftr1	The first feature.
ftr2	The second feature.
xform	The transformation to apply to the position of the second feature.

Returns

A score from 0 (=outside effective tolerance) and 1 (exact position match) that specifies the proximity of the features.

See also

Pharm.getPosition(const Feature&), Pharm.getTolerance(const Feature&)