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remove icsd dep
1 parent 4ffe965 commit c94b28f

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tests/openmm_md/conftest.py

+1-2
Original file line numberDiff line numberDiff line change
@@ -87,7 +87,7 @@ def random_structure(test_dir) -> Structure:
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struct_file = test_files / "random_structure.json"
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# disable this flag to speed up local testing
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regenerate_test_data = True
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regenerate_test_data = False
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if regenerate_test_data:
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struct_file.unlink(missing_ok=True)
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composition = Composition("Al85Ni10Fe5")
@@ -97,7 +97,6 @@ def random_structure(test_dir) -> Structure:
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composition=composition,
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target_atoms=n_atoms,
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packmol_seed=1,
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vol_per_atom_source="icsd",
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)
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struct.to_file(str(struct_file))
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return Structure.from_file(struct_file)

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