@TestClass(value="org.openscience.cdk.isomorphism.IsomorphismTesterTest") public class IsomorphismTester extends Object implements Serializable
Important: as it uses the MorganNumbersTools it does not take bond order into account.
Alternatively, you can use the UniversalIsomorphismTester.
MorganNumbersTools
,
UniversalIsomorphismTester
,
Serialized FormConstructor and Description |
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IsomorphismTester()
Constructor for the IsomorphismTester object
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IsomorphismTester(IMolecule mol)
Constructor for the IsomorphismTester object
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Modifier and Type | Method and Description |
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boolean |
isIsomorphic(IMolecule mol2)
Checks whether a given molecule is isomorphic with the one
that has been assigned to this IsomorphismTester at contruction time
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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
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public IsomorphismTester()
public IsomorphismTester(IMolecule mol) throws NoSuchAtomException
NoSuchAtomException
@TestMethod(value="testIsIsomorphic_IMolecule_IMolecule") public boolean isIsomorphic(IMolecule mol1, IMolecule mol2)
mol1
- A first molecule to check against the second onemol2
- A second molecule to check against the first@TestMethod(value="testIsIsomorphic_IMolecule") public boolean isIsomorphic(IMolecule mol2)
mol2
- A molecule to check