def test_analyze_exceptions():
latt = LatticeStructure(np.eye(2))
with pytest.raises(NoAtomsError):
latt.analyze()
latt.add_atom()
with pytest.raises(NoConnectionsError):
latt.analyze()
def test_add_connection():
latt = LatticeStructure(np.eye(2))
latt.add_atom([0.0, 0.0], atom="A")
latt.add_atom([0.5, 0.5], atom="B")
latt.add_connection("A", "A", 1)
latt.add_connection("A", "B", 1)
latt.analyze()
# Assert neighbor atom index is right
assert all(latt.get_neighbors(alpha=0, distidx=0)[:, -1] == 1)
assert all(latt.get_neighbors(alpha=0, distidx=1)[:, -1] == 0)
assert all(latt.get_neighbors(alpha=1, distidx=0)[:, -1] == 0)