Serialized Form

  • Package de.unijena.cheminf.fragment.fingerprint

    • Class de.unijena.cheminf.fragment.fingerprint.CountFingerprint

      class CountFingerprint extends Object implements Serializable

      • Serialized Fields

        • behaveAsBitFingerprint
          boolean behaveAsBitFingerprint
          changes the behavior of the fingerprint. If behaveAsBitFingerprint == true, the count fingerprint behaves the same as a bit fingerprint.
        • INITIAL_CAPACITY_VALUE
          double INITIAL_CAPACITY_VALUE
          Initial capacity value for maps
        • predefinedFragmentSmiles
          String[] predefinedFragmentSmiles
          Key fragments that are set when the fingerprinter is initialized.
        • uniqueSmilesPositionToFrequencyCountRawMap
          HashMap<Integer,Integer> uniqueSmilesPositionToFrequencyCountRawMap
          Result Map of a count fingerprint. When the count fingerprint is created, if there is a match between the key fragments/unique SMILES and the passed fragments with the corresponding frequencies, the position of the key fragment assigned to it during initialization is mapped to the frequency of this fragment in the molecule. So, in this map, only the positions and frequencies of the fragments are stored if a match has occurred. In the following, the map can also be referred to as a raw map.
        • uniqueSmilesToPositionMap
          HashMap<String,Integer> uniqueSmilesToPositionMap
          The HashMap maps the predefined (key) fragments/unique SMILES to the position they have in the fingerprint.