DataManip.Metric.rdMetricMatrixCalc

Package DataManip :: Package Metric :: Module rdMetricMatrixCalc |
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# Module rdMetricMatrixCalc

    Module containing the calculator for metric matrix calculation,
    e.g. similarity and distance matrices

Functions | [hide private]
GetEuclideanDistMat(...) Compute the distance matrix from a descriptor matrix using the Euclidean distance metric ARGUMENTS: descripMat - A python object of any one of the following types 1. | source code
GetTanimotoDistMat(...) Compute the distance matrix from a list of BitVects using the Tanimoto distance metric ARGUMENTS: bitVectList - a list of bit vectors. | source code
GetTanimotoSimMat(...) Compute the similarity matrix from a list of BitVects ARGUMENTS: bitVectList - a list of bit vectors. | source code

Function Details | [hide private]

### GetEuclideanDistMat(...) | source code
    Compute the distance matrix from a descriptor matrix using the Euclidean distance metric

      ARGUMENTS:

        descripMat - A python object of any one of the following types
                       1. A numeric array of dimensions n by m where n is the number of items in the data set
                           and m is the number of descriptors
                       2. A list of Numeric Vectors (or 1D arrays), each entry in the list corresponds
                           to descriptor vector for one item
                       3. A list (or tuple) of lists (or tuples) of values, where the values can be extracted to
                           double.

      RETURNS:
        A numeric one-dimensional array containing the lower triangle elements of the symmetric distance matrix

    C++ signature:
        GetEuclideanDistMat(boost::python::api::object) -> _object*

### GetTanimotoDistMat(...) | source code
    Compute the distance matrix from a list of BitVects using the Tanimoto distance metric

      ARGUMENTS:

        bitVectList - a list of bit vectors. Currently this works only for a list of explicit bit vectors,
                      needs to be expanded to support a list of SparseBitVects

      RETURNS:
        A numeric 1 dimensional array containing the lower triangle elements of the
        symmetric distance matrix

    C++ signature:
        GetTanimotoDistMat(boost::python::api::object) -> _object*

### GetTanimotoSimMat(...) | source code
    Compute the similarity matrix from a list of BitVects

      ARGUMENTS:

        bitVectList - a list of bit vectors. Currently this works only for a list of explicit bit vectors,
                      needs to be expanded to support a list of SparseBitVects

      RETURNS:
        A numeric 1 dimensional array containing the lower triangle elements of the symmetric similarity matrix

    C++ signature:
        GetTanimotoSimMat(boost::python::api::object) -> _object*