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import pytest
from emmet.core.magnetism import MagnetismDoc
from emmet.core.utils import jsanitize
from monty.serialization import loadfn
from pymatgen.core import Structure
def test_magnetism_doc(test_dir):
test_orderings = {"mp-1034331": "FM", "mp-753472": "NM"}
for material in loadfn(test_dir / "magnetism/magnetism_mats_sample.json"):
structure = Structure.from_dict(jsanitize(material["structure"]))
total_magnetization = material["magnetism"]["total_magnetization"]
material_id = material["task_id"]
doc = MagnetismDoc.from_structure(
structure=structure,
material_id=material_id,
total_magnetization=total_magnetization,
deprecated=False,
)
assert doc is not None
assert doc.total_magnetization == pytest.approx(abs(total_magnetization))
if material_id in test_orderings:
assert doc.ordering == test_orderings[material_id]
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