def check_scatter_grad_pdf(value):
"""
Check two processor, algorithm pairs against each other for gradient PDF
calculation
:param value:
:return:
"""
# set everything up
atoms, exp = value[:2]
scat = ElasticScatter(exp_dict=exp, verbose=True)
proc1, alg1 = value[-1][0]
proc2, alg2 = value[-1][1]
# run algorithm 1
scat.set_processor(proc1, alg1)
ans1 = scat.get_grad_pdf(atoms)
# run algorithm 2
scat.set_processor(proc2, alg2)
ans2 = scat.get_grad_pdf(atoms)
# test
stats_check(ans1, ans2, rtol, atol)
assert_allclose(ans1, ans2, rtol=rtol, atol=atol)
# make certain we did not give back the same pointer
assert ans1 is not ans2
def check_scatter_grad_pdf(value):
"""
Smoke test for grad PDF
:param value:
:return:
"""
atoms, exp = value[0:2]
proc, alg = value[-1]
scat = ElasticScatter(exp_dict=exp, verbose=True)
scat.set_processor(proc, alg)
# Test a set of different sized ensembles
ans = scat.get_grad_pdf(atoms)
# Check that Scatter gave back something
assert ans is not None
# Check that all the values are not zero
assert np.any(ans)
del atoms, exp, proc, alg, scat, ans
return
