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(IAtomContainer mol)
Constructor for the IsomorphismTester object
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Modifier and Type | Method and Description |
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boolean |
isIsomorphic(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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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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public IsomorphismTester()
public IsomorphismTester(IAtomContainer mol) throws NoSuchAtomException
NoSuchAtomException
public boolean isIsomorphic(IAtomContainer mol1, IAtomContainer mol2)
mol1
- A first molecule to check against the second onemol2
- A second molecule to check against the firstpublic boolean isIsomorphic(IAtomContainer mol2)
mol2
- A molecule to checkCopyright © 2021. All rights reserved.