Package org.openscience.cdk.isomorphism
Class IsomorphismTester
java.lang.Object
org.openscience.cdk.isomorphism.IsomorphismTester
- All Implemented Interfaces:
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
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Constructor Summary
ConstructorsConstructorDescriptionConstructor for the IsomorphismTester objectConstructor for the IsomorphismTester object -
Method Summary
Modifier and TypeMethodDescriptionboolean
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.
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Constructor Details
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IsomorphismTester
public IsomorphismTester()Constructor for the IsomorphismTester object -
IsomorphismTester
Constructor for the IsomorphismTester object- Throws:
NoSuchAtomException
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Method Details
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isIsomorphic
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 onemol2
- A second molecule to check against the first- Returns:
- True, if the two molecules are isomorphic
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isIsomorphic
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
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