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Add unit tests for analysis_reduction #141

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@GuiMacielPereira GuiMacielPereira commented Nov 21, 2024

Description of work:
Added unit tests for the most important functions in analysis_reduction.py.
I restructured some functions and renamed variables as I added each test.

The functions that I tested are the ones doing all of the mathematical computations, namely the neutron compton fits, the calculation of the kinematics and resolution and finally the calculation of means and standard deviations of the widths and intensities.

Mostly of the functions left to test are about creating workspaces, saving documents, masking and MS and Gamma corrections.
To test:
Code review.
Check that all tests (unit + system) pass.

Fixes #9.

Restructured the functions of the analysis reduction and added two unit tests,
one for calculating the kinematics and the other for calculating y spaces.
Added test for 3 different spectra: one with normal data, one with
a range in TOF masked with zeros and another fully masked spectra.

Checked that the fitting function (total ncp) and fitting
parameters match.
Added unit test that compares masking tof range with zeros with
using a range that has been cut off (i.e. does not include the
values with zeros).

If the error function is successfully ignoring zeros then the
result of both fits should be the same
Cleaned the code for setting kinematic arrays and fixed unit tests
This unit test tests the fit function itself, rather than the fitting engine
Instead of hard-coded values it's better to compare the ncp fit
to synthetic (original) ncp to make sure that optimizer is working
correctly
Took out calculation of resolution function for lorentzian out of fit.
Cleaned error function and added unit test that checks cases when errors are present and not present.
Cleaned function for calculating means in the reduction analysis
and added unit test to check the filtering of widths and intensities is working.

I removed all of the assertions because instead of stoping the code it's best to
at least keep going and produce the table for means so that at least the user
can have a clue for what happened.
@GuiMacielPereira GuiMacielPereira marked this pull request as ready for review November 29, 2024 16:21
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Add unit tests to analysis_functions
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