Class IsomorphismTester

java.lang.Object
org.openscience.cdk.isomorphism.IsomorphismTester
All Implemented Interfaces:
Serializable

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:
Source code:
main
Belongs to CDK module:
standard
Keywords:
isomorphism
Created on:
2001-09-10
  • Constructor Details

  • Method Details

    • isIsomorphic

      public boolean isIsomorphic(IAtomContainer mol1, IAtomContainer mol2)
      Checks whether a given molecule is isomorphic with the one that has been assigned to this IsomorphismTester at construction 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

      public boolean isIsomorphic(IAtomContainer mol2)
      Checks whether a given molecule is isomorphic with the one that has been assigned to this IsomorphismTester at construction time.
      Parameters:
      mol2 - A molecule to check
      Returns:
      True, if the two molecules are isomorphic