fingerprinters.topological
Class DepthFirstSearch
java.lang.Object
fingerprinters.EncodingFingerprint
fingerprinters.topological.Encoding2D
fingerprinters.topological.DepthFirstSearch
public class DepthFirstSearch
- extends Encoding2D
Method Summary |
java.util.ArrayList<IFeature> |
getFingerprint(org.openscience.cdk.interfaces.IAtomContainer ac)
Generates a fingerprint of the default size for the given AtomContainer. |
java.util.BitSet |
getHashFingerprint(org.openscience.cdk.interfaces.IAtomContainer ac,
int searchDepth,
int hashsize)
returns a hashed fingerprint |
java.lang.String |
getNameOfFingerPrinter()
|
Methods inherited from class java.lang.Object |
equals, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
DepthFirstSearch
public DepthFirstSearch()
getFingerprint
public java.util.ArrayList<IFeature> getFingerprint(org.openscience.cdk.interfaces.IAtomContainer ac)
- Generates a fingerprint of the default size for the given AtomContainer.
- Specified by:
getFingerprint
in class EncodingFingerprint
- Parameters:
ac
- The AtomContainer for which a Fingerprint is generated
getHashFingerprint
public java.util.BitSet getHashFingerprint(org.openscience.cdk.interfaces.IAtomContainer ac,
int searchDepth,
int hashsize)
- returns a hashed fingerprint
- Parameters:
ac
- searchDepth
- hashsize
-
- Returns:
getNameOfFingerPrinter
public java.lang.String getNameOfFingerPrinter()
- Specified by:
getNameOfFingerPrinter
in class EncodingFingerprint