def test_append_pickle(images, trajfile):
with PickleTrajectory(trajfile, 'a', _warn=False) as traj:
for image in images:
traj.write(image)
images1 = read_images(trajfile)
assert_images_equal(images * 2, images1)
def convert(name):
import os
t = TrajectoryWriter(name + '.new')
for atoms in PickleTrajectory(name, _warn=False):
t.write(atoms)
t.close()
os.rename(name, name + '.old')
os.rename(name + '.new', name)
"""Make sure we can't read old traj file, but we can convert them."""
import ase.io as aio
from ase import Atoms
from ase.io.pickletrajectory import PickleTrajectory
from ase.io.trajectory import convert
from ase.test import must_raise
t = PickleTrajectory('hmm.traj', 'w', _warn=False)
a = Atoms('H')
t.write(a)
t.close()
with must_raise(DeprecationWarning):
aio.read('hmm.traj')
convert('hmm.traj')
aio.read('hmm.traj')
def trajfile(images):
ptraj = PickleTrajectory(trajname, 'w', _warn=False)
for image in images:
ptraj.write(image)
ptraj.close()
return trajname
def read_images(filename):
with PickleTrajectory(filename, _warn=False) as traj:
return list(traj)
def test_raises():
with pytest.raises(DeprecationWarning):
PickleTrajectory(trajname, 'w')
