Chemical Data Processing Library Python API - Version 1.1.1
Public Member Functions | Static Public Attributes | Properties | List of all members
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
funcThe 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
funcThe 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