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Chemical Data Processing Library Python API - Version 1.2.3
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CDPL.Descr.DiceSimilarity Class Reference

Functor class for calculating the Dice Similarity [GSIM] of bitsets. More...

+ Inheritance diagram for CDPL.Descr.DiceSimilarity:

Public Member Functions

None __init__ ()
 Initializes the DiceSimilarity instance.
 
None __init__ (DiceSimilarity func)
 Initializes a copy of the DiceSimilarity instance func. More...
 
int getObjectID ()
 Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
 
DiceSimilarity assign (DiceSimilarity func)
 Replaces the current state of self with a copy of the state of the DiceSimilarity instance func. More...
 
float __call__ (Util.BitSet bs1, Util.BitSet bs2)
 Calculates the Dice Similarity [GSIM] of the bitsets bs1 and bs2. More...
 

Properties

 objectID = property(getObjectID)
 

Detailed Description

Functor class for calculating the Dice Similarity [GSIM] of bitsets.

Constructor & Destructor Documentation

◆ __init__()

None CDPL.Descr.DiceSimilarity.__init__ ( DiceSimilarity  func)

Initializes a copy of the DiceSimilarity instance func.

Parameters
funcThe DiceSimilarity instance to copy.

Member Function Documentation

◆ getObjectID()

int CDPL.Descr.DiceSimilarity.getObjectID ( )

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

Different Python DiceSimilarity 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 DiceSimilarity 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()

DiceSimilarity CDPL.Descr.DiceSimilarity.assign ( DiceSimilarity  func)

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

Parameters
funcThe DiceSimilarity instance to copy.
Returns
self

◆ __call__()

float CDPL.Descr.DiceSimilarity.__call__ ( Util.BitSet  bs1,
Util.BitSet  bs2 
)

Calculates the Dice Similarity [GSIM] of the bitsets bs1 and bs2.

The Dice Similarity is calculated by:

[ S_{ab} = \frac{2 * N_{ab}}{N_a + N_b + 2 * N_{ab}} ]

where is the number of bits that are set in both bitsets, is the number of bits that are only set in the first bitset and is the number of bits that are only set in the second bitset.

If the specified bitsets bs1 and bs2 are of different size, missing bits at the end of the smaller bitset are assumed to be zero.

Parameters
bs1The first bitset.
bs2The second bitset.
Returns
The calculated similarity measure.