DataManip.Metric.rdMetricMatrixCalc

Package DataManip :: Package Metric :: Module rdMetricMatrixCalc |
[hide private]
[frames] | no frames]

# Module rdMetricMatrixCalc

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

Functions | [hide private]
GetEuclideanDistMat(...) GetEuclideanDistMat( (AtomPairsParameters)arg1) -> object : 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(...) GetTanimotoDistMat( (AtomPairsParameters)arg1) -> object : Compute the distance matrix from a list of BitVects using the Tanimoto distance metric ARGUMENTS: bitVectList - a list of bit vectors. | source code
GetTanimotoSimMat(...) GetTanimotoSimMat( (AtomPairsParameters)arg1) -> object : 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
    GetEuclideanDistMat( (AtomPairsParameters)arg1) -> object :
        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 :
            _object* GetEuclideanDistMat(boost::python::api::object)

### GetTanimotoDistMat(...) | source code
    GetTanimotoDistMat( (AtomPairsParameters)arg1) -> object :
        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 :
            _object* GetTanimotoDistMat(boost::python::api::object)

### GetTanimotoSimMat(...) | source code
    GetTanimotoSimMat( (AtomPairsParameters)arg1) -> object :
        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 :
            _object* GetTanimotoSimMat(boost::python::api::object)