Some improvements #103
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June 24, 2025 13:31
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I love this, thank you @matteobecchi . For the tests, the discussion about fixtures is best suited to when we can iterate through multiple options. I think you have done a good job of this,
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Requested Reviewers: @andrewtarzia
Improved pytest for time_correlation functions.
Added "selection" parameter to LENS calculation --> close Adding "type selection" to LENS computation #74 .
Added documentation for the trajectory module --> close Add a dedicated page explaining Trj and Insights #101 .
-- I didn't manage to make the links in the text (to the documentation pages of the classes, functions etc...) work though.
I think we can close Expand tests for init of Trj and Insight classes #81 , pytests are quite complete.
-- Otherwise, let's specify what needs to be improved.
I rewrote the pytests for analysis and trajectory modules using fixtures.
-- If they are OK, then I can change also the others and then close Use fixtures throughout tests #87 .