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

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

+ Inheritance diagram for CDPL.Descr.ManhattanSimilarity:

Public Member Functions

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

Properties

 objectID = property(getObjectID)
 

Detailed Description

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

Constructor & Destructor Documentation

◆ __init__()

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

Initializes a copy of the ManhattanSimilarity instance func.

Parameters
funcThe ManhattanSimilarity instance to copy.

Member Function Documentation

◆ getObjectID()

int CDPL.Descr.ManhattanSimilarity.getObjectID ( )

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

Different Python ManhattanSimilarity 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 ManhattanSimilarity 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()

ManhattanSimilarity CDPL.Descr.ManhattanSimilarity.assign ( ManhattanSimilarity  func)

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

Parameters
funcThe ManhattanSimilarity instance to copy.
Returns
self

◆ __call__()

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

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

The Manhattan Similarity \( S_{ab} \) is calculated by:

[ S_{ab} = \frac{N_a + N_b}{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.