/usr/share/pyshared/ase/test/properties.py is in python-ase 3.6.0.2515-1.1.
This file is owned by root:root, with mode 0o644.
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1 2 3 4 5 6 7 8 9 10 11 12 13 | from ase import Atoms
a = Atoms('H2', positions=[(0, 0, 0), (0, 0, 1.1)])
a.pbc[0] = 1
assert a.pbc.any()
assert not a.pbc.all()
a.pbc = 1
assert a.pbc.all()
a.cell = (1, 2, 3)
a.cell *= 2
a.cell[0, 0] = 3
assert not (a.cell.diagonal() - (3, 4, 6)).any()
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