TransformHKL-v1.rst

.. algorithm::

.. summary::

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Description
-----------

Given a PeaksWorkspace with a UB matrix stored with the sample, this
algoritm will accept a 3x3 transformation matrix M, change UB to
UB\*M-inverse and map each (HKL) vector to M\*(HKL). For example, the
transformation with elements 0,1,0,1,0,0,0,0,-1 will interchange the H
and K values and negate L. This algorithm should allow the usr to
perform any required transformation of the Miller indicies, provided
that transformation has a positive determinant. If a transformation with
a negative or zero determinant is entered, the algorithm with throw an
exception. The 9 elements of the transformation must be specified as a
comma separated list of numbers.

Usage
-----

**Example:**

.. testcode:: ExTransformHKL

    ws=LoadIsawPeaks("TOPAZ_3007.peaks")
    FindUBUsingFFT(ws,MinD=8.0,MaxD=13.0)

    print("Before Transformation:")
    print(ws.sample().getOrientedLattice().getUB())

    #This HKLTransform is a matrix that will swap H and K and negate L
    TransformHKL(ws,HKLTransform="0,1,0,1,0,0,0,0,-1")
    print("\nAfter Transformation:")
    print(ws.sample().getOrientedLattice().getUB())


Output:

.. testoutput:: ExTransformHKL

    Before Transformation:
    [[ 0.01223576  0.00480107  0.08604016]
     [-0.11654506  0.00178069 -0.00458823]
     [-0.02737294 -0.08973552 -0.02525994]]

    After Transformation:
    [[ 0.00480107  0.01223576 -0.08604016]
     [ 0.00178069 -0.11654506  0.00458823]
     [-0.08973552 -0.02737294  0.02525994]]


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