Maciej Bartkowiak

Thanks for finding these problems! In the meantime I added the error message to the van Hove self function. Also, I think that the commits I added today should close...

To address #582 I added placeholder text to the instrument input fields. The values are not very useful (they are all 1) but at least this produces a valid configuration...

Also, #579 should be fixed now. #581 has been addressed by disabling UnfoldedTrajectory for now.

The main argument for keeping at least part of the current mechanism is that users sometimes define their own artificial chemical elements to reflect an unusual isotopic mixture, and the...

This change has been implemented in #809

If we are already adding an option of detecting bonds, we should also take care of #286 at the same time.

It seems that the tests always get stuck on the Ubuntu runner, but not always on the same test after all. Last failure: ``` Run cd MDANSE/Tests/UnitTests ============================= test session...

And another one, also on Ubuntu: ``` Run cd MDANSE/Tests/UnitTests ============================= test session starts ============================== platform linux -- Python 3.12.9, pytest-8.3.4, pluggy-1.5.0 rootdir: /home/runner/work/MDANSE/MDANSE/MDANSE configfile: pyproject.toml collected 702 items Analysis/test_average_structure.py...

We just had another test that got stuck: https://github.com/ISISNeutronMuon/MDANSE/actions/runs/13585226327/job/37978614629 It was a parallel job. The most relevant part of the error output is: ``` parameters = {'atom_selection': '{}', 'atom_transmutation': '{}',...

Normally, the local (in-trajectory) definition should take priority. Also, the intention was always to have the Trajectory class try to get the atom properties from the in-trajectory database, BUT it...