org.openscience.cdk.isomorphism

Class IsomorphismTester

java.lang.Object

org.openscience.cdk.isomorphism.IsomorphismTester

All Implemented Interfaces:

Serializable

@TestClass(value="org.openscience.cdk.isomorphism.IsomorphismTesterTest")
public class IsomorphismTester
extends Object
implements Serializable

A too simplistic implementation of an isomorphism test for chemical graphs.

Important: as it uses the MorganNumbersTools it does not take bond order into account.

Alternatively, you can use the UniversalIsomorphismTester.

Author:

steinbeck

See Also:

MorganNumbersTools, UniversalIsomorphismTester, Serialized Form

Keywords:

isomorphism

Created on:

2001-09-10

Constructor Summary

Constructors

Constructor and Description
IsomorphismTester() Constructor for the IsomorphismTester object
IsomorphismTester(IMolecule mol) Constructor for the IsomorphismTester object

Method Summary

Methods

Modifier and Type	Method and Description
boolean	isIsomorphic(IMolecule mol2) Checks whether a given molecule is isomorphic with the one that has been assigned to this IsomorphismTester at contruction time
boolean	isIsomorphic(IMolecule mol1, IMolecule mol2) Checks whether a given molecule is isomorphic with the one that has been assigned to this IsomorphismTester at contruction time

Methods inherited from class java.lang.Object

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

Constructor Detail

IsomorphismTester

public IsomorphismTester()

Constructor for the IsomorphismTester object

IsomorphismTester

public IsomorphismTester(IMolecule mol)
                  throws NoSuchAtomException

Constructor for the IsomorphismTester object

Throws:

NoSuchAtomException

Method Detail

isIsomorphic

@TestMethod(value="testIsIsomorphic_IMolecule_IMolecule")
public boolean isIsomorphic(IMolecule mol1,
                                   IMolecule mol2)

Checks whether a given molecule is isomorphic with the one that has been assigned to this IsomorphismTester at contruction time

Parameters:

mol1 - A first molecule to check against the second one

mol2 - A second molecule to check against the first

Returns:

True, if the two molecules are isomorphic

isIsomorphic

@TestMethod(value="testIsIsomorphic_IMolecule")
public boolean isIsomorphic(IMolecule mol2)

Checks whether a given molecule is isomorphic with the one that has been assigned to this IsomorphismTester at contruction time

Parameters:

mol2 - A molecule to check

Returns:

True, if the two molecules are isomorphic