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import warnings
import numpy as np
from ase.io import read, write
from ase.calculators.emt import EMT
from ase.build import bulk
def test_issue276(testdir):
at = bulk("Cu")
at.rattle()
at.calc = EMT()
f = at.get_forces()
write("tmp.xyz", at)
at2 = read("tmp.xyz")
f2 = at.get_forces()
assert np.abs(f - f2).max() < 1e-6
with warnings.catch_warnings(record=True) as w:
# Cause all warnings to always be triggered.
warnings.simplefilter("always")
write("tmp2.xyz", at2)
assert len(w) == 2
assert ('overwriting array' in str(w[0].message))
assert ('overwriting array' in str(w[1].message))
at3 = read("tmp2.xyz")
f3 = at3.get_forces()
assert np.abs(f - f3).max() < 1e-6
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