Class GraphOnlyFingerprinter

All Implemented Interfaces:
IFingerprinter

public class GraphOnlyFingerprinter extends Fingerprinter
Specialized version of the Fingerprinter which does not take bond orders into account.
Author:
egonw
See Also:
Source code:
main
Belongs to CDK module:
standard
Keywords:
fingerprint, similarity
Created on:
2007-01-11
  • Constructor Details

    • GraphOnlyFingerprinter

      public GraphOnlyFingerprinter()
      Creates a fingerprint generator of length defaultSize and with a search depth of defaultSearchDepth.
    • GraphOnlyFingerprinter

      public GraphOnlyFingerprinter(int size)
    • GraphOnlyFingerprinter

      public GraphOnlyFingerprinter(int size, int searchDepth)
  • Method Details

    • getBondSymbol

      protected String getBondSymbol(IBond bond)
      Gets the bondSymbol attribute of the Fingerprinter class. Because we do not consider bond orders to be important, we just return "";
      Overrides:
      getBondSymbol in class Fingerprinter
      Parameters:
      bond - Description of the Parameter
      Returns:
      The bondSymbol value
    • getBitFingerprint

      public BitSet getBitFingerprint(IAtomContainer container, int size) throws Exception
      Throws:
      Exception