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"""Test that we can read old trajectory files."""
from base64 import b64encode, b64decode
from pathlib import Path
from ase import Atoms
from ase.constraints import FixAtoms
from ase.io import read
from ase.io.trajectory import Trajectory
def write():
"""Run this with an old version of ASE.
Did it with 3.18.1.
"""
a1 = Atoms('H')
a1.constraints = FixAtoms(indices=[0])
a2 = Atoms('HLi', cell=[1, 2, 3, 90, 80, 70], pbc=True)
with Trajectory('old.traj', 'w') as traj:
traj.write(a1)
traj.write(a2)
b = Path('old.traj').read_bytes()
data = b64encode(b)
print('data = {!r} # noqa'.format(data))
def test_oldtraj():
Path('old.traj').write_bytes(b64decode(data))
a1, a2 = read('old.traj@:')
assert len(a1.constraints) == 1
assert len(a2.constraints) == 0
assert not a1.pbc.any()
assert a2.pbc.all()
# base64 encoded old traj file with 2 images:
data = b'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' # noqa
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