Numerics.rdAlignment

Package Numerics :: Module rdAlignment |
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# Module rdAlignment

    Module containing functions to align pairs of points in 3D

Functions | [hide private]
GetAlignmentTransform(...) Compute the optimal alignment (minimum RMSD) between two set of points ... |

Function Details | [hide private]

### GetAlignmentTransform(...) |
    Compute the optimal alignment (minimum RMSD) between two set of points

     ARGUMENTS:

        - refPoints : reference points sepcified as a N by 3 Numeric array or
                      sequence of 3-sequences or sequence of Point3Ds
        - probePoints : probe points to align to reference points - same format
                      restrictions as reference points apply here
        - weights : optional numeric vector or list of weights to associate to each pair of points
        - reflect : reflect the probe points before attempting alignment
        - maxIteration : maximum number of iterations to try to minimize RMSD

     RETURNS:

        a 2-tuple:
          - SSD value for the alignment
          - the 4x4 transform matrix, as a Numeric array

    C++ signature:
        GetAlignmentTransform(boost::python::api::object refPoints, boost::python::api::object probePoints, boost::python::api::object weights=[], bool reflect=False, unsigned int maxIterations=50) -> _object*