CDPL.Pharm.FeatureDistanceConstraint Class Reference

Constraint functor that accepts a pair of features whose 3D-position distance lies within a configured [min, max] interval. More...

Inheritance diagram for CDPL.Pharm.FeatureDistanceConstraint:

Public Member Functions
None	__init__ (FeatureDistanceConstraint constr)
	Initializes a copy of the FeatureDistanceConstraint instance constr. More...
None	__init__ (float min_dist, float max_dist)
	Constructs a FeatureDistanceConstraint functor with a minimum feature distance of min_dist and maximum distance of max_dist. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
float	getMinDistance ()
	Returns the currently configured minimum feature pair distance. More...
float	getMaxDistance ()
	Returns the currently configured maximum feature pair distance. More...
FeatureDistanceConstraint	assign (FeatureDistanceConstraint constr)
	Replaces the current state of self with a copy of the state of the FeatureDistanceConstraint instance constr. More...
bool	__call__ (Feature ftr1, Feature ftr2)
	Tests whether the 3D-position distance between ftr1 and ftr2 lies within the configured [min, max] interval. More...

Properties
	objectID = property(getObjectID)
	minDistance = property(getMinDistance)
	maxDistance = property(getMaxDistance)

Detailed Description

Constraint functor that accepts a pair of features whose 3D-position distance lies within a configured [min, max] interval.

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.Pharm.FeatureDistanceConstraint.__init__

(

FeatureDistanceConstraint

constr

)

Initializes a copy of the FeatureDistanceConstraint instance constr.

Parameters

constr

The FeatureDistanceConstraint instance to copy.

__init__() [2/2]

None CDPL.Pharm.FeatureDistanceConstraint.__init__	(	float	min_dist,
		float	max_dist
	)

Constructs a FeatureDistanceConstraint functor with a minimum feature distance of min_dist and maximum distance of max_dist.

Parameters

min_dist	The minimum feature pair distance.
max_dist	The maximum feature pair distance.

Reimplemented in CDPL.Pharm.HydrophobicInteractionConstraint, and CDPL.Pharm.IonicInteractionConstraint.

Member Function Documentation

getObjectID()

int CDPL.Pharm.FeatureDistanceConstraint.getObjectID

(

)

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

Different Python FeatureDistanceConstraint 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 FeatureDistanceConstraint 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.

getMinDistance()

float CDPL.Pharm.FeatureDistanceConstraint.getMinDistance

(

)

Returns the currently configured minimum feature pair distance.

Returns

The minimum distance.

getMaxDistance()

float CDPL.Pharm.FeatureDistanceConstraint.getMaxDistance

(

)

Returns the currently configured maximum feature pair distance.

Returns

The maximum distance.

assign()

FeatureDistanceConstraint CDPL.Pharm.FeatureDistanceConstraint.assign

(

FeatureDistanceConstraint

constr

)

Replaces the current state of self with a copy of the state of the FeatureDistanceConstraint instance constr.

Parameters

constr

The FeatureDistanceConstraint instance to copy.

Returns

self

__call__()

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

Tests whether the 3D-position distance between ftr1 and ftr2 lies within the configured [min, max] interval.

Parameters

ftr1	The first feature.
ftr2	The second feature.

Returns

True if the constraint is satisfied, and False otherwise.