fingerprinters.topological
Class DepthFirstSearch

java.lang.Object
  extended by fingerprinters.EncodingFingerprint
      extended by fingerprinters.topological.Encoding2D
          extended by fingerprinters.topological.DepthFirstSearch

public class DepthFirstSearch
extends Encoding2D


Nested Class Summary
 class DepthFirstSearch.DepthFirstSearchFeature
           
 
Nested classes/interfaces inherited from class fingerprinters.topological.Encoding2D
Encoding2D.PathFeature
 
Constructor Summary
DepthFirstSearch()
           
 
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 fingerprinters.topological.Encoding2D
getSearchDepth, setSearchDepth
 
Methods inherited from class fingerprinters.EncodingFingerprint
getAtomLabelType, getTyper, isHashable, setAtomLabelType
 
Methods inherited from class java.lang.Object
equals, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Constructor Detail

DepthFirstSearch

public DepthFirstSearch()
Method Detail

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