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from datetime import datetime
import pytest
from pymatgen.core.structure import Structure
from . import test_structures
try:
from emmet.core.optimade import OptimadeMaterialsDoc
except Exception:
pytest.skip("could not import 'optimade' ", allow_module_level=True)
@pytest.mark.xfail(reason="Optimade + fastapi issues.")
@pytest.mark.parametrize("structure", test_structures.values())
def test_oxidation_state(structure: Structure):
"""Very simple test to make sure this actually works"""
print(f"Should work : {structure.composition}")
doc = OptimadeMaterialsDoc.from_structure(
structure, material_id=33, last_updated=datetime.utcnow()
)
assert doc is not None
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