CDPL.GRAIL.GeneralizedBellAtomDensity Class Reference

GeneralizedBellAtomDensity. More...

Inheritance diagram for CDPL.GRAIL.GeneralizedBellAtomDensity:

Public Member Functions
None	__init__ (GeneralizedBellAtomDensity func)
	Initializes a copy of the GeneralizedBellAtomDensity instance func. More...
None	__init__ (float probe_radius=0.0, float rad_scaling_factor=1.0)
	Initializes the GeneralizedBellAtomDensity instance. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
float	getProbeRadius ()
float	getRadiusScalingFactor ()
GeneralizedBellAtomDensity	assign (GeneralizedBellAtomDensity func)
	Replaces the current state of self with a copy of the state of the GeneralizedBellAtomDensity instance func. More...
float	__call__ (Math.Vector3D pos, Math.Vector3D atom_pos, Chem.Atom atom)

Static Public Attributes
float	DEF_RADIUS_SCALING_FACTOR = 1.0
float	DEF_PROBE_RADIUS = 0.0

Properties
	objectID = property(getObjectID)
	probeRadius = property(getProbeRadius)
	radiusScalingFactor = property(getRadiusScalingFactor)

Detailed Description

GeneralizedBellAtomDensity.

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.GRAIL.GeneralizedBellAtomDensity.__init__

(

GeneralizedBellAtomDensity

func

)

Initializes a copy of the GeneralizedBellAtomDensity instance func.

Parameters

func	The GeneralizedBellAtomDensity instance to copy.

__init__() [2/2]

None CDPL.GRAIL.GeneralizedBellAtomDensity.__init__	(	float	probe_radius = 0.0,
		float	rad_scaling_factor = 1.0
	)

Initializes the GeneralizedBellAtomDensity instance.

Parameters

probe_radius
rad_scaling_factor

Member Function Documentation

getObjectID()

int CDPL.GRAIL.GeneralizedBellAtomDensity.getObjectID

(

)

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

Different Python GeneralizedBellAtomDensity 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 GeneralizedBellAtomDensity 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.

getProbeRadius()

float CDPL.GRAIL.GeneralizedBellAtomDensity.getProbeRadius

(

)

Returns

getRadiusScalingFactor()

float CDPL.GRAIL.GeneralizedBellAtomDensity.getRadiusScalingFactor

(

)

Returns

assign()

GeneralizedBellAtomDensity CDPL.GRAIL.GeneralizedBellAtomDensity.assign

(

GeneralizedBellAtomDensity

func

)

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

Parameters

func	The GeneralizedBellAtomDensity instance to copy.

Returns

self

__call__()

float CDPL.GRAIL.GeneralizedBellAtomDensity.__call__	(	Math.Vector3D	pos,
		Math.Vector3D	atom_pos,
		Chem.Atom	atom
	)

Parameters

pos
atom_pos
atom

Returns