Package chemaxon.sss.screen

Class Similarity

java.lang.Object

chemaxon.sss.screen.Similarity

@PublicAPI
public class Similarity
extends Object

Calculates the similarity of two bit strings.

Constructor Summary

Constructors

Constructor	Description
Similarity(byte[] bitstring1, byte[] bitstring2)	Deprecated.

Method Summary

Modifier and Type	Method	Description
static double	getTanimoto(byte[] bitstring1, byte[] bitstring2)	Calculates the Tanimoto coefficient of the two bit strings.
static double	getTanimoto(byte[] bitstring1, byte[] bitstring2, int bytesToCompare)	Calculates the Tanimoto coefficient of the two bit strings.
static double	getTanimoto(int[] bitstring1, int[] bitstring2, int intsToCompare)	Calculates the Tanimoto coefficient of the two bit strings.
double	Tanimoto()	Deprecated.

Methods inherited from class java.lang.Object

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

Constructor Detail

Similarity

@Deprecated
public Similarity(byte[] bitstring1,
                  byte[] bitstring2)

Deprecated.

Initializes the class.

Parameters:

bitstring1 - left operand

bitstring2 - right operand

Method Detail

Tanimoto

@Deprecated
public double Tanimoto()

Deprecated.

Calculates tanimoto.

Returns:

the tanimoto coefficient

getTanimoto

public static double getTanimoto(byte[] bitstring1,
                                 byte[] bitstring2)

Calculates the Tanimoto coefficient of the two bit strings. The calculated value is between 0 and 1. The higher the value the more similar are the bit strings. All bits in the byte arrays are used. The length of the byte arrays has to be equal.

Parameters:

bitstring1 - left operand

bitstring2 - right operand

Returns:

the tanimoto coefficient

getTanimoto

public static double getTanimoto(byte[] bitstring1,
                                 byte[] bitstring2,
                                 int bytesToCompare)

Calculates the Tanimoto coefficient of the two bit strings. The calculated value is between 0 and 1. The higher the value the more similar are the bit strings.

Parameters:

bitstring1 - left operand

bitstring2 - right operand

bytesToCompare - the number of bytes to use in the calculcation.

Returns:

the tanimoto coefficient

Since:

JChem 3.1

getTanimoto

public static double getTanimoto(int[] bitstring1,
                                 int[] bitstring2,
                                 int intsToCompare)

Calculates the Tanimoto coefficient of the two bit strings. The calculated value is between 0 and 1. The higher the value the more similar are the bit strings.

Parameters:

bitstring1 - left operand

bitstring2 - right operand

intsToCompare - the number of bytes to use in the calculcation.

Returns:

the tanimoto coefficient

Since:

JChem 3.1