Package chemaxon.descriptors

Class SimilarityCalculator<T>

java.lang.Object

chemaxon.descriptors.SimilarityCalculator<T>

@PublicAPI
public abstract class SimilarityCalculator<T>
extends Object

Descriptor similarity calculation can be performed using SimilarityCalculator. This class represents a metrics and subclasses must contain all parameters that may required. The SimilarityCalculatorFactory can be used to create an object of this type.

Since:

JChem 5.2.2.

Constructor Summary

Constructors

Constructor	Description
SimilarityCalculator()

Method Summary

Modifier and Type	Method	Description
abstract float	getDissimilarity(T fp)	Gets the dissimilarity value according to previously defined metric and its parameters.
abstract float	getSimilarity(T fp)	Gets the similarity value according to previously defined metric and its parameters.
void	setQueryFingerprint(T fp)	Sets the query fingerprint

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

SimilarityCalculator

public SimilarityCalculator()

Method Detail

setQueryFingerprint

public void setQueryFingerprint(T fp)
                         throws chemaxon.descriptors.SimilarityException

Sets the query fingerprint

Parameters:

fp -

Throws:

chemaxon.descriptors.SimilarityException

getSimilarity

public abstract float getSimilarity(T fp)
                             throws chemaxon.descriptors.SimilarityException

Gets the similarity value according to previously defined metric and its parameters. Query fingerprint must be previously setted once using setQueryFingerprint

Parameters:

fp - fingerprint type is defined by the subclass using generics.

Returns:

similariy score

Throws:

chemaxon.screen.SimilarityException - If query has not been setted before or target and query fingerprint has different array length.

chemaxon.descriptors.SimilarityException

getDissimilarity

public abstract float getDissimilarity(T fp)
                                throws chemaxon.descriptors.SimilarityException

Gets the dissimilarity value according to previously defined metric and its parameters. Query fingerprint must be previously setted once using setQueryFingerprint

Parameters:

fp - fingerprint type is defined by the subclass using generics

Returns:

similariy score

Throws:

chemaxon.screen.SimilarityException - If query has not been setted before or target and query fingerprint has different array length.

chemaxon.descriptors.SimilarityException