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# fmt: off
import numpy as np
from ase.build import bulk
from ase.calculators.emt import EMT
from ase.constraints import FixScaled
def test_fixscaled():
a = bulk("Ni", cubic=True)
a.calc = EMT()
pos = a.get_positions()
a.set_constraint(FixScaled(0))
a.set_positions(pos * 1.01)
assert np.sum(np.abs(a.get_forces()[0])) < 1e-12
assert np.sum(np.abs(a.get_positions() - pos)[0]) < 1e-12
assert np.sum(np.abs(a.get_positions() - pos * 1.01)[1:].flatten()) < 1e-12
def test_fixscaled_misc():
indices = [2, 3, 4]
mask = (0, 1, 1)
constraint = FixScaled(indices, mask=mask)
# XXX not providing Atoms to dof
assert constraint.get_removed_dof(None) == sum(mask) * len(indices)
dct = constraint.todict()
assert dct['kwargs']['a'] == indices
assert '2, 3, 4' in str(constraint)
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