File: test_fixbonds.py

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python-ase 3.26.0-2
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# fmt: off
from ase import Atoms
from ase.constraints import FixBondLengths


def test_fixbonds():
    """Test Atoms.__delitem__ with FixAtoms constraint."""

    a = Atoms('H3')
    a.constraints = FixBondLengths([(1, 2)])
    assert (a[:].constraints[0].pairs == [(1, 2)]).all()
    assert (a[1:].constraints[0].pairs == [(0, 1)]).all()
    assert len(a[2:].constraints) == 0
    assert len(a[1:2].constraints) == 0
    assert len(a[:2].constraints) == 0
    assert len(a[:1].constraints) == 0

    # Execise Atoms.__init__:
    Atoms(a)