CDPL.Descr.TanimotoSimilarity Class Reference

Functor class for calculating Tanimoto Similarities [CITB] of bitsets and vectors. More...

Inheritance diagram for CDPL.Descr.TanimotoSimilarity:

Public Member Functions
None	__init__ ()
	Initializes the TanimotoSimilarity instance.
None	__init__ (TanimotoSimilarity func)
	Initializes a copy of the TanimotoSimilarity instance func. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
TanimotoSimilarity	assign (TanimotoSimilarity func)
	Replaces the current state of self with a copy of the state of the TanimotoSimilarity instance func. More...
float	__call__ (Util.BitSet bs1, Util.BitSet bs2)
	Calculates the Tanimoto Similarity of the bitsets bs1 and bs2. More...
float	__call__ (Math.FVector v1, Math.FVector v2)
	Calculates the Tanimoto Similarity of the vectors v1 and v2. More...
float	__call__ (Math.DVector v1, Math.DVector v2)
	Calculates the Tanimoto Similarity of the vectors v1 and v2. More...
float	__call__ (Math.LVector v1, Math.LVector v2)
	Calculates the Tanimoto Similarity of the vectors v1 and v2. More...
float	__call__ (Math.ULVector v1, Math.ULVector v2)
	Calculates the Tanimoto Similarity of the vectors v1 and v2. More...

Properties
	objectID = property(getObjectID)

Detailed Description

Functor class for calculating Tanimoto Similarities [CITB] of bitsets and vectors.

Constructor & Destructor Documentation

__init__()

None CDPL.Descr.TanimotoSimilarity.__init__

(

TanimotoSimilarity

func

)

Initializes a copy of the TanimotoSimilarity instance func.

Parameters

func	The TanimotoSimilarity instance to copy.

Member Function Documentation

getObjectID()

int CDPL.Descr.TanimotoSimilarity.getObjectID

(

)

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

Different Python TanimotoSimilarity 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 TanimotoSimilarity 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()

TanimotoSimilarity CDPL.Descr.TanimotoSimilarity.assign

(

TanimotoSimilarity

func

)

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

Parameters

func	The TanimotoSimilarity instance to copy.

Returns

self

__call__() [1/5]

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

Calculates the Tanimoto Similarity of the bitsets bs1 and bs2.

The Tanimoto Similarity $S_{ab}$ is calculated by:

[ S_{ab} = \frac{N_{ab}}{N_a + N_b - 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 in the first bitset and $N_b$ is the number of bits that are 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

bs1	The first bitset.
bs2	The second bitset.

Returns

The calculated similarity measure.

__call__() [2/5]

float CDPL.Descr.TanimotoSimilarity.__call__	(	Math.FVector	v1,
		Math.FVector	v2
	)

Calculates the Tanimoto Similarity of the vectors v1 and v2.

The Tanimoto Similarity $S_{12}$ is calculated by:

[ S_{12} = \frac{\vec{v}_1 \cdot \vec{v}_2}{{\left | \vec{v}_1 \right |}^2 + {\left | \vec{v}_2 \right |}^2 - \vec{v}_1 \cdot \vec{v}_2} ]

Parameters

v1	The first vector.
v2	The second vector.

Returns

The calculated similarity measure.

__call__() [3/5]

float CDPL.Descr.TanimotoSimilarity.__call__	(	Math.DVector	v1,
		Math.DVector	v2
	)

Calculates the Tanimoto Similarity of the vectors v1 and v2.

The Tanimoto Similarity $S_{12}$ is calculated by:

[ S_{12} = \frac{\vec{v}_1 \cdot \vec{v}_2}{{\left | \vec{v}_1 \right |}^2 + {\left | \vec{v}_2 \right |}^2 - \vec{v}_1 \cdot \vec{v}_2} ]

Parameters

v1	The first vector.
v2	The second vector.

Returns

The calculated similarity measure.

__call__() [4/5]

float CDPL.Descr.TanimotoSimilarity.__call__	(	Math.LVector	v1,
		Math.LVector	v2
	)

Calculates the Tanimoto Similarity of the vectors v1 and v2.

The Tanimoto Similarity $S_{12}$ is calculated by:

[ S_{12} = \frac{\vec{v}_1 \cdot \vec{v}_2}{{\left | \vec{v}_1 \right |}^2 + {\left | \vec{v}_2 \right |}^2 - \vec{v}_1 \cdot \vec{v}_2} ]

Parameters

v1	The first vector.
v2	The second vector.

Returns

The calculated similarity measure.

__call__() [5/5]

float CDPL.Descr.TanimotoSimilarity.__call__	(	Math.ULVector	v1,
		Math.ULVector	v2
	)

Calculates the Tanimoto Similarity of the vectors v1 and v2.

The Tanimoto Similarity $S_{12}$ is calculated by:

[ S_{12} = \frac{\vec{v}_1 \cdot \vec{v}_2}{{\left | \vec{v}_1 \right |}^2 + {\left | \vec{v}_2 \right |}^2 - \vec{v}_1 \cdot \vec{v}_2} ]

Parameters

v1	The first vector.
v2	The second vector.

Returns

The calculated similarity measure.