• Danny Hindson's avatar
    New absorption weighted path length calculation · 637c0509
    Danny Hindson authored
    Monte Carlo simulation to calculate a quantity called absorption
    weighted path length that is used in extinction correction calculations
    downstream from Mantid eg in Jana. Requested by WISH. Specific changes:
    - new AddAbsorptionWeightedPathLengths algorithm that uses the existing MCAbsorptionStrategy class to do most of leg work
    - adjust the MCAbsorptionStrategy class to make the code more reusable for calculation involving a single wavelength such as the absorption weighted path length for a peak. In particular change the Calculate function signature to replace the HistoramData and Spectrum parameters with simple vectors and move the interpolation functionality back into the MonteCarloAbsorption algorithm
    - extend the Peak class to add in an extra column called tbar for the absorption weighted path length + get\set functions. Also expose the get\set in the Python interface
    - update SaveReflections python algorithm to write the actual tbar value for each peak in a peaksworkspace out to Jana file instead of zero
    - add the absorption weighted path length to the nexus file and adjust save\load code