DistanceGeometry

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.


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*

Package DistanceGeometry

DoTriangleSmoothing(...)

EmbedBoundsMatrix(...)