DistanceGeometry.DistGeom

Package DistanceGeometry :: Module DistGeom |
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# Module DistGeom

    Module containing functions for basic distance geometry operations

Functions | [hide private]
DoTriangleSmoothing(...) Do triangle smoothing on a bounds matrix ARGUMENTS: - mat: a square Numeric array of doubles containing the bounds matrix, this matrix *is* modified by the smoothing RETURNS: a boolean indicating whether or not the smoothing worked. | source code
EmbedBoundsMatrix(...) Embed a bounds matrix and return the coordinates... | source code

Function Details | [hide private]

### DoTriangleSmoothing(...) | source code
    Do triangle smoothing on a bounds matrix

     ARGUMENTS:

        - mat: a square Numeric array of doubles containing the bounds matrix, this matrix
               *is* modified by the smoothing

     RETURNS:

        a boolean indicating whether or not the smoothing worked.

    C++ signature:
        DoTriangleSmoothing(boost::python::api::object) -> bool

### EmbedBoundsMatrix(...) | source code
    Embed a bounds matrix and return the coordinates

     ARGUMENTS:

        - boundsMatrix: a square Numeric array of doubles containing the bounds matrix, this matrix
               should already be smoothed
        - maxIters: (optional) the maximum number of random distance matrices to try
        - randomizeOnFailure: (optional) toggles using random coords if a matrix fails to embed
        - numZeroFail: (optional) sets the number of zero eigenvalues to be considered a failure
        - weights: (optional) a sequence of 3 sequences (i,j,weight) indicating elements of
           the bounds matrix whose weights should be adjusted
        - randomSeed: (optional) sets the random number seed used for embedding

     RETURNS:

        a Numeric array of doubles with the coordinates

    C++ signature:
        EmbedBoundsMatrix(boost::python::api::object boundsMatrix, int maxIters=10, bool randomizeOnFailure=False, int numZeroFail=2, boost::python::list weights=[], int randomSeed=-1) -> _object*