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ISISNeutronMuon / MDANSE

MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments
https://www.isis.stfc.ac.uk/Pages/MDANSEproject.aspx
GNU General Public License v3.0
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Added unitless unit and fixed data not plottable for eccentricity jobs #379

Closed ChiCheng45 closed 5 months ago

ChiCheng45 commented 5 months ago

Description of work Added unitless unit and fixed data not plottable for eccentricity jobs

Fixes Fixes #363

To test Run the eccentricity job and load up plot. All results should be plottable.

MBartkowiakSTFC commented 5 months ago
Screenshot 2024-03-20 at 14 05 05

I tried it with weights "equal" and "atomic_weight", but it was not quite right. I will try for other trajectories and see if there is a difference, but there will definitely be some cases where it does not work.

MBartkowiakSTFC commented 5 months ago

OK, I know what happened: while you defined a 'unitless' unit in the json file, on my computer I already have my own modified unit database. MDANSE checks that the user-level unit database exists, and uses it. It does not check if new units appeared in the main database, and if they should be copied into the user database.

New users will not be affected by this problem, but if we add new units in the future, then the existing users may miss out on it, unless we add a mechanism for synchronising the databases.