Interface DissimilarityInput

  • All Known Subinterfaces:
    MolInput

    @Beta
    @PublicAPI
    public interface DissimilarityInput
    DissimilarityInput represents an input set for similarity based clustering algorithm. See MolInputBuilder for an implementation.

    This abstraction is used when pairwise comparison of inputs is required by a certain algorithm.

    Please note that this interface is marked with Beta annotation, so it can be subject of incompatible changes or removal in later releases.

    • Method Detail

      • size

        int size()
        Item count to be considered.
        Returns:
        Item count
      • dissimilarity

        double dissimilarity​(int targetIndex,
                             int queryIndex)
        Dissimilarity/distance between an ordered pair of input items.

        Please note that the represented input is not necessarily a metric space; only the satisfactions of criteria described by the results of getMetricMetadata() is guaranteed.

        Note that parameter naming discriminates query and target indexes to be consistent with the usage of non symmetric underlying comparison metrics.

        Parameters:
        targetIndex - Index of first item to be compared
        queryIndex - Index of second item to be compared
        Returns:
        Dissimilarity of the two compared items
        Throws:
        IllegalArgumentException - when either of the idem indexes passed is negative or greater or equal to item count returned by size()
      • getMetricMetadata

        MetricMetadata getMetricMetadata()
        Metadata about the underlying metric.
        Returns:
        Metadata of the comparison of dissimilarity calculations