ambit2.similarity.measure

Class MCSSDistance

java.lang.Object

ambit2.similarity.measure.MCSSDistance

All Implemented Interfaces:

IDistanceFunction<org.openscience.cdk.interfaces.IAtomContainer>

public class MCSSDistance
extends Object
implements IDistanceFunction<org.openscience.cdk.interfaces.IAtomContainer>

The MCSS of two compounds is the largest possible substructure that is present in both structures. The MCS is a measure and a description of the similarity of two structures whose numerical value MCS is the number of common elements provided by the matching conditions, i.e. a measure of the size of the maximum common substructure.

Author:

Nina Jeliazkova

Constructor Summary

Constructors

Constructor and Description
MCSSDistance()

Method Summary

Modifier and Type	Method and Description
float	getDistance(org.openscience.cdk.interfaces.IAtomContainer object1, org.openscience.cdk.interfaces.IAtomContainer object2) Distance should be large if objects are "far away" from each other, i.e.
float	getNativeComparison(org.openscience.cdk.interfaces.IAtomContainer object1, org.openscience.cdk.interfaces.IAtomContainer object2) Calculates native comparison index between two objects (distance or similarity).
String	toString()

Methods inherited from class java.lang.Object

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

Constructor Detail

MCSSDistance

public MCSSDistance()

Method Detail

getNativeComparison

public float getNativeComparison(org.openscience.cdk.interfaces.IAtomContainer object1,
                                 org.openscience.cdk.interfaces.IAtomContainer object2)
                          throws Exception

Description copied from interface: IDistanceFunction

Calculates native comparison index between two objects (distance or similarity). Similarity is large if objects are similar to each other, in contrast with IDistanceFunction.getDistance(Object, Object).

Specified by:

getNativeComparison in interface IDistanceFunction<org.openscience.cdk.interfaces.IAtomContainer>

Returns:

the distance

Throws:

Exception

getDistance

public float getDistance(org.openscience.cdk.interfaces.IAtomContainer object1,
                         org.openscience.cdk.interfaces.IAtomContainer object2)
                  throws Exception

Description copied from interface: IDistanceFunction

Distance should be large if objects are "far away" from each other, i.e. dissimilar.

Specified by:

getDistance in interface IDistanceFunction<org.openscience.cdk.interfaces.IAtomContainer>

Returns:

the distance

Throws:

Exception

toString

public String toString()

Overrides:

toString in class Object