Csse layout 536 input_data #358
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loriab
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Requesting review @davidbrownell, @krachwal, @rfievet, @ketanbj, @varun646, @jyoung3131 |
davidbrownell
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Nov 27, 2024
qcelemental/models/v2/procedures.py
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| @@ -348,11 +354,17 @@ def convert_v( | |||
| if check_convertible_version(version, error="TorsionDriveResult") == "self": | |||
| return self | |||
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| opthist_class = next(iter(self.optimization_history.values()))[0].__class__ | |||
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Nit: Can the opthist_class variable be moved into the if-clause given it seems to only be used there?
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Sure. I placed it outside since it was likely to be of use to all conversions (besides the no-op), but multiple versions are a long way off.
| def test_model_survey_convertable(smodel1, smodel2, every_model_fixture, request, schema_versions): | ||
| anskey = request.node.callspec.id.replace("None", "v1") | ||
| # fmt: off | ||
| ans = [ |
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Nit: Consider making this a set given that it seems to only be used for lookup and is not used with indexes.
loriab
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Nov 27, 2024
loriab
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Nov 27, 2024
loriab
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Nov 27, 2024
davidbrownell
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Nov 27, 2024
loriab
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Jan 13, 2025
* AtRes.input_data * external_input_data * fix print * Apply suggestions from code review * Update Lint.yml * Update procedures.py
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currently atop #357Description
AtomicResult(AtomicInput)-->AtomicResult()withAtomicResult.input_data = AtomicInputChangelog description
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