IsomorphismTester (cdk 2.9 API)

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:

MorganNumbersTools, UniversalIsomorphismTester, Serialized Form

Source code:
main

Belongs to CDK module:
standard

Keywords:

isomorphism

Created on:

2001-09-10

Constructor Summary

Constructors
Constructor	Description
`IsomorphismTester()`	Constructor for the IsomorphismTester object
`IsomorphismTester(IAtomContainer mol)`	Constructor for the IsomorphismTester object

Method Summary

All Methods Instance Methods Concrete Methods
Modifier and Type	Method	Description
`boolean`	`isIsomorphic(IAtomContainer mol2)`	Checks whether a given molecule is isomorphic with the one that has been assigned to this IsomorphismTester at construction time.
`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.

Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

- Constructor Detail
  - IsomorphismTester
```
public IsomorphismTester()
```
    Constructor for the IsomorphismTester object
  - IsomorphismTester
```
public IsomorphismTester(IAtomContainer mol)
                  throws NoSuchAtomException
```
    Constructor for the IsomorphismTester object
    
    Throws:
    
    NoSuchAtomException
- Method Detail
  - 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