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Fix for incorrect file path in tests/io/test_zeopp.py
#3784
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WalkthroughThe changes involve enhancing parameter descriptions, improving code readability, and updating file paths for better organization and accessibility within the codebase across multiple files in different directories. Changes
Recent Review DetailsConfiguration used: .coderabbit.yaml Files selected for processing (1)
Files skipped from review due to trivial changes (1)
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thanks for the fix @AntObi! 👍
@DanielYang59 if you have time, could you see if there might be any other skipped tests where the test file path was not updated during the file migrations in #3746
…rs instead of percent format
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Actionable comments posted: 1
@@ -4291,8 +4291,7 @@ def perturb(self, distance: float, min_distance: float | None = None) -> Self: | |||
symmetries. Modifies the structure in place. | |||
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Args: | |||
distance (float): Distance in angstroms by which to perturb each | |||
site. | |||
distance (float): Distance in angstroms by which to perturb each site. |
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Clarify the parameter description for the distance
argument in the perturb
method.
Summary
I've been testing using
Zeo++
with pymatgen usingio/zeopp
and found that some of the tests were failing. I've determined that the tests were failing due to incorrect file paths to the tests files.Major changes: Fixed incorrect file path in zeopp test file
f"{TEST_FILES_DIR}/cssr/EDI.cssr"
->f"{TEST_FILES_DIR}/io/cssr/EDI.cssr"
f"{TEST_FILES_DIR}/cssr/EDI_oxistate_decorated.cssr"
->f"{TEST_FILES_DIR}/io/cssr/EDI_oxistate_decorated.cssr"
Checklist
ruff
.mypy
.duecredit
@due.dcite
decorators to reference relevant papers by DOI (example)Tip: Install
pre-commit
hooks to auto-check types and linting before every commit: