def check_del_atom(value):
atoms, exp = value[0:2]
proc, alg = value[-1]
scat = ElasticScatter(exp_dict=exp, verbose=True)
scat.set_processor(proc, alg)
assert scat._check_wrap_atoms_state(atoms) == False
# Test a set of different sized ensembles
ans1 = scat.get_fq(atoms)
assert scat._check_wrap_atoms_state(atoms) == True
# Check that Scatter gave back something
assert ans1 is not None
assert np.any(ans1)
atoms2 = dc(atoms)
del atoms2[np.random.choice(len(atoms2))]
assert scat._check_wrap_atoms_state(atoms2) == False
ans2 = scat.get_fq(atoms2)
assert scat._check_wrap_atoms_state(atoms2) == True
# Check that Scatter gave back something
assert ans2 is not None
assert np.any(ans2)
assert not np.allclose(ans1, ans2)
# make certain we did not give back the same pointer
assert ans1 is not ans2
# Check that all the values are not zero
del atoms, exp, proc, alg, scat, ans1
return
def check_del_atom(value):
atoms, exp = value[0:2]
proc, alg = value[-1]
scat = ElasticScatter(exp_dict=exp, verbose=True)
scat.set_processor(proc, alg)
assert scat._check_wrap_atoms_state(atoms) == False
# Test a set of different sized ensembles
ans1 = scat.get_fq(atoms)
assert scat._check_wrap_atoms_state(atoms) == True
# Check that Scatter gave back something
assert ans1 is not None
assert np.any(ans1)
atoms2 = dc(atoms)
del atoms2[np.random.choice(len(atoms2))]
assert scat._check_wrap_atoms_state(atoms2) == False
ans2 = scat.get_fq(atoms2)
assert scat._check_wrap_atoms_state(atoms2) == True
# Check that Scatter gave back something
assert ans2 is not None
assert np.any(ans2)
assert not np.allclose(ans1, ans2)
# make certain we did not give back the same pointer
assert ans1 is not ans2
# Check that all the values are not zero
del atoms, exp, proc, alg, scat, ans1
return