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fix formula_parser and tests #1

Merged
merged 17 commits into from
Feb 13, 2024
Merged

fix formula_parser and tests #1

merged 17 commits into from
Feb 13, 2024

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GGNoWayBack
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The purpose of this pull request is twofold.

  • Firstly, it addresses inconsistent formatting in the tests files.
  • Secondly, it enhances the robustness of formula_parser.py in parsing chemical formulas, such as 'Na2/3Ni1/3Co(1/3-x)Mn1/3AlxO2'. To validate these improvements, a corresponding test case has been added to formulas.json.

@GGNoWayBack GGNoWayBack marked this pull request as draft February 4, 2024 20:38
@GGNoWayBack GGNoWayBack marked this pull request as ready for review February 4, 2024 20:38
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If it's convenient for you, could you please review my pull request?@lfoppiano

@lfoppiano lfoppiano self-assigned this Feb 7, 2024
@lfoppiano lfoppiano added the enhancement New feature or request label Feb 7, 2024
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lfoppiano reviewed Feb 8, 2024
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I think seems to be working fine. However, I'm not a chemist.
I wonder, could you please add some more examples as tests?

@GGNoWayBack GGNoWayBack requested a review from lfoppiano February 8, 2024 07:05
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lfoppiano reviewed Feb 8, 2024
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I left some comments, I'm going to verify the rest of the json files in the next days

@GGNoWayBack GGNoWayBack force-pushed the main branch 7 times, most recently from 098288c to 480f2c0 Compare February 8, 2024 16:41
@GGNoWayBack GGNoWayBack requested a review from lfoppiano February 9, 2024 11:34
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lfoppiano reviewed Feb 9, 2024
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Thanks for the changes, I'm sorry I have still some questions.

@GGNoWayBack GGNoWayBack requested a review from lfoppiano February 9, 2024 16:50
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lfoppiano approved these changes Feb 13, 2024
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Thanks for your explanation and quick updates. We could add more unit tests in future.

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To fix the tests, you should need to just add a __init__.py under tests

@lfoppiano lfoppiano merged commit c9f4e8b into lfoppiano:main Feb 13, 2024
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Thanks!

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Thanks!

Thanks for your swift review and professional guidance. I am looking forward to making more contributions together in the future.

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