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Migrate LomapAtomMapper testing to the gufe mixin#157

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IAlibay merged 6 commits into
mainfrom
tokenizable_mixin_mapper
Jun 15, 2026
Merged

Migrate LomapAtomMapper testing to the gufe mixin#157
IAlibay merged 6 commits into
mainfrom
tokenizable_mixin_mapper

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@IAlibay

@IAlibay IAlibay commented Jun 11, 2026

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Fixes #111

@IAlibay

IAlibay commented Jun 11, 2026

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pre-commit.ci autofix

@hannahbaumann hannahbaumann left a comment

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Thanks @IAlibay ! Just left those two comments!

Comment thread src/lomap/tests/test_lomapatommapper.py Outdated

m2 = LomapAtomMapper.from_dict(d)

assert m2

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Would an isinstance check be better than just the assert?

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Done.

Comment thread src/lomap/tests/test_lomapatommapper.py Outdated
"max3d": 999.0,
"element_change": False,
"seed": "CC",
"shift": False,

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Since we change the default to "False", should this now be testing "True"?

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In this case it's better if it's not the defaults - the roundtrip on the default settings is already taken care of in the underlying mixin. Here I'm just keeping the "old" test, hence the naming containing "different".

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I think I'm probably just missing something, but I was thinking that if we want to test the non defaults here, then it should be "True"?

@IAlibay IAlibay requested a review from hannahbaumann June 13, 2026 22:12

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Thanks @IAlibay , lgtm! (assuming tests passing)

@IAlibay IAlibay merged commit ef454a5 into main Jun 15, 2026
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@IAlibay IAlibay deleted the tokenizable_mixin_mapper branch June 15, 2026 09:36
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Test LomapAtomMapper properly as a GufeTokenizable using the Mixin

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