Improve third derivative #148
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Extend kinematic arrays (and subsquently y-space arrays and resolution arrays), so that when the third derivative is taken, no zero padding is necessary. Adjust arrays inside ncp fit to fit shape [6: -6] coming from third derivative.
Needed to fix unit tests to take into account that kinematic, y-space and resolution arrays are extended by 6 indices on the edges
Also renamed function to more pythonic style. And added tests for function to extend range.
Since the final profile changed slightly, needed to update the benchmark for the system tests. Took this opportunity to run the system tests on a single MS iteration, instead of the three that were before.
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I am getting the following AttributeError when running the script: |
Description of work:
Previous third derivative result was padded with 6 zeros on each side.
This improvement extends the range and the function by 6 indices on each side, so that when the third derivative is taken, the size of the resulting array is 12 indices less than the input (6 on each side).
So in essence this just means that I am extending the range before taking the derivative so that after the derivative the size matches the size before the extension.
This just makes sure the derivative is continuous and does not including zero padding, which contributes to a smoother ncp profile (orange line is corrected):
To test:
Activate an environment with mantidworkbench installed:
pip install .mvesuvio config~/.mvesuvio/analysis_inputs.pyanalysis_inputs_fwd_0_1.0079_fse_sumand check that curve is smooth at the edges