Chemical Data Processing Library Python API - Version 1.2.0
Classes | Public Member Functions | Properties | List of all members
CDPL.GRAIL.BindingAffinityCalculator Class Reference

BindingAffinityCalculator. More...

+ Inheritance diagram for CDPL.GRAIL.BindingAffinityCalculator:

Classes

class  AffinityMeasure
 

Public Member Functions

None __init__ ()
 Initializes the BindingAffinityCalculator instance.
 
int getObjectID ()
 Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
 
float __call__ (Math.DVector grail_descr, AffinityMeasure measure)
 

Properties

 objectID = property(getObjectID)
 

Detailed Description

BindingAffinityCalculator.

Member Function Documentation

◆ getObjectID()

int CDPL.GRAIL.BindingAffinityCalculator.getObjectID ( )

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

Different Python BindingAffinityCalculator 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 BindingAffinityCalculator 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.

◆ __call__()

float CDPL.GRAIL.BindingAffinityCalculator.__call__ ( Math.DVector  grail_descr,
AffinityMeasure  measure 
)
Parameters
grail_descr
measure
Returns