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

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

+ Inheritance diagram for CDPL.Descr.EuclideanSimilarity:

Public Member Functions

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

Properties

 objectID = property(getObjectID)
 

Detailed Description

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

Constructor & Destructor Documentation

◆ __init__()

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

Initializes a copy of the EuclideanSimilarity instance func.

Parameters
funcThe EuclideanSimilarity instance to copy.

Member Function Documentation

◆ getObjectID()

int CDPL.Descr.EuclideanSimilarity.getObjectID ( )

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

Different Python EuclideanSimilarity 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 EuclideanSimilarity 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()

EuclideanSimilarity CDPL.Descr.EuclideanSimilarity.assign ( EuclideanSimilarity  func)

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

Parameters
funcThe EuclideanSimilarity instance to copy.
Returns
self

◆ __call__()

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

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

The Euclidean Similarity S_{ab} is calculated by:

[ S_{ab} = \sqrt{\frac{N_{ab} + N_{!ab}}{N_a + N_b + N_{ab} + N_{!ab}}} ]

where N_{ab} is the number of bits that are set in both bitsets, N_a is the number of bits that are set only in the first bitset, N_b is the number of bits that are set only in the second bitset and N_{!ab} is the number of bits that are not set in both bitsets.

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.