File: test_filter.py

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from ase.build import molecule
from ase.constraints import Filter
from ase.optimize import QuasiNewton
from ase.calculators.emt import EMT

def test_filter():
    """Test that the filter and trajectories are playing well together."""

    atoms = molecule('CO2')
    atoms.calc = EMT()
    filter = Filter(atoms, indices=[1, 2])

    with QuasiNewton(filter, trajectory='filter-test.traj', logfile='filter-test.log') as opt:
        opt.run()
    # No assertions=??