Inputs script improvements #197
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- This value used to be hidden and hardcoded into the routine - Following feedback from scientists, this change should be reverted to how it was before
- Allow users to select mass to base hydrogen ratio from - This change comes directly out of scientist's feedback since more often than not they can estimate the ratio to one of the masses based from stochiometry - Avoids having to run the preliminary procedure so often
Previously the error looked very intimidating and was not very informative. Catching the error also allows the routine to continue normally.
Due to change in numpy API
GuiMacielPereira
added
enhancement
- Renamed `ansiogauss` (which should have been `anisogauss` anyway) to `gauss2d` - Added useful comments explaining several parameters to the user
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In the second part of the test I see this warning twice: |
SilkeSchomann
approved these changes
Aug 14, 2025
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Description of work:
Following the feedback from Damien, I updated the inputs script to make it clearer to the users.
ansiogauss->gauss2dTo test:
In a conda environment with mantid workbench installed, checkout this branch and do
pip install -e .to install this version of the packageOpen workbench
Open the following script from inside workbench:
analysis_inputs_mod.zip
Click Run
A window will appear, click
OKor press EnterWait a few minutes until the procedure is complete, at the very end you should see that a table called
hydrogen_intensity_ratios_estimatesis printed to the consoleNow edit the script in the backward class, change
intensity_ratio_of_hydrogen_to_lowest_massto the number that is commented outIn the same backward class, change
number_of_iterations_for_correctionsto 1Clear all workspaces
Click Run and wait until its finished
Script should run without errors
Check that fitted curves look okay
Check that CI ran 5 system tests
Fixes #xxxx.