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Fix factorial2 and pytest fix #308 and #309 #319

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merged 12 commits into from
Jun 3, 2024

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D-TheProgrammer
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This pull request represents another attempt to address the issue. The previous attempt was unmergeable due to being made from the main branch. The objective of this fix is to address the issues with the factorial2 function in the òverlap.pyfile and create a unit test using pytest named test_factorial2. Our solution for the function has been validated by passing the linting checks.

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@tovrstra Normally it should be good now for the merge let us know
@LudoRNLT here's the new one i forgot to tag you on this one

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@D-TheProgrammer Thanks for the pull request and my apologies for the large number of changes we're going through while you were making pull requests.

There are still a few linters complaining. If you click on "Details" on the "pre-commit.ci - pr" line, and then scroll down, you will see the errors. Normally, when you install pre-commit in the clone of the repository on your computer, it will not allow you to make the commit when there are such issues. If you need help getting that to work, please let me know. (This is the recommended procedure, because fixing issues is always easier right after having written the code.)

If you need help with fixing the linter complaints themselves, just let me know.

@tovrstra tovrstra linked an issue Jun 1, 2024 that may be closed by this pull request
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D-TheProgrammer commented Jun 1, 2024

@D-TheProgrammer Thanks for the pull request and my apologies for the large number of changes we're going through while you were making pull requests.

There are still a few linters complaining. If you click on "Details" on the "pre-commit.ci - pr" line, and then scroll down, you will see the errors. Normally, when you install pre-commit in the clone of the repository on your computer, it will not allow you to make the commit when there are such issues. If you need help getting that to work, please let me know. (This is the recommended procedure, because fixing issues is always easier right after having written the code.)

If you need help with fixing the linter complaints themselves, just let me know.

@tovrstra We tried with our computers and we had 4 or 5 linters that didn't work but they were not tied to our fix it was about the other functions outside of factorial2 but still in overlap.py, this is why we did our PR because we thought that someone else was working on those other issues.

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tovrstra commented Jun 1, 2024

I have another small question. I may be overlooking something, but I don't believe we need the floating point case in IOData and always need exact=True, which may be used to simplify our version of factorial2 considerably.

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tovrstra commented Jun 1, 2024

@tovrstra We tried with our computers and we had 4 or 5 linters that didn't work but they were not tied to our fix it was about the other functions outside of factorial2 but still in overlap.py, this is why we did our PR because we thought that someone else was working on those other issues.

Ok, sounds good. No worries. Thanks for the quick reply. I'll take care of it after the weekend

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deepsource-io bot commented Jun 3, 2024

Here's the code health analysis summary for commits 486e413..d40b543. View details on DeepSource ↗.

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sonarqubecloud bot commented Jun 3, 2024

Quality Gate Passed Quality Gate passed

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tovrstra commented Jun 3, 2024

@D-TheProgrammer I made all improvements I could think of. Can you double-check the final result? Thanks.

- Include type checks
- Include other arrays
- Include more cases
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@D-TheProgrammer I made all improvements I could think of. Can you double-check the final result? Thanks.

Normally if we're not wrong @LudoRNLT and I think it's good and it ticks all the boxes.

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tovrstra commented Jun 3, 2024

Thanks for checking. I'll merge soon.

@tovrstra tovrstra merged commit 6435bc3 into theochem:main Jun 3, 2024
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Fix Factorial2
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