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JaGeo / LobsterPy

Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry
https://jageo.github.io/LobsterPy/
BSD 3-Clause "New" or "Revised" License
74 stars 27 forks source link

File path handling in featurizer module #242

Closed kaueltzen closed 6 months ago

kaueltzen commented 6 months ago

Resolves issue #229 . File path handling in featurizer module is now done in two separate functions in utils.py. Also did some clean-ups and added parameter checking for BatchSummaryFeaturizer.

codecov[bot] commented 6 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 97.70%. Comparing base (f37797b) to head (8969adc).

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #242 +/- ## ========================================== + Coverage 97.47% 97.70% +0.23% ========================================== Files 11 12 +1 Lines 2848 2698 -150 ========================================== - Hits 2776 2636 -140 + Misses 72 62 -10 ```

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naik-aakash commented 6 months ago

Thanks @kaueltzen ! I think this can be merged as well if there are not any comments @JaGeo 😄