File: test_row.py

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python-ase 3.26.0-2
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# fmt: off
from ase import Atoms
from ase.db.row import AtomsRow


def test_row():
    atoms = Atoms('H')
    row = AtomsRow(atoms)
    assert row.charge == 0.0
    atoms.set_initial_charges([1.0])
    row = AtomsRow(atoms)
    assert row.charge == 1.0