def test_get_file_missing_param(self):
desc = "soap"
aid = "aid_111"
r4 = Store("./tests/results/")
res = np.array([[1, 2, 3], [4, 5, 6]])
r4.store(res, desc, aid, rcut=9, nmax=10, lmax=10)
ret_val2 = r4._get_file(aid, desc, rcut=9, lmax=10)
assert ret_val2 == None
shutil.rmtree("./tests/results/")
def test_get_file_string(self):
r3 = Store("./tests/results")
result = "Random test result"
desc = "test"
aid = "12"
r3.store(result, desc, aid, arg_a=1, arg_b=2)
ret_val3 = r3._get_file(desc, aid, arg_a=1, arg_b=2)
assert ret_val3 == result
shutil.rmtree("./tests/results/")
def test_get_file_numpy_array(self):
'''Tests to make sure get_descriptor returns expected value'''
desc = "soap"
aid = "aid_111"
r4 = Store("./tests/results/")
res = np.array([[1, 2, 3], [4, 5, 6]])
r4.store(res, desc, aid, rcut=9, nmax=10, lmax=10)
ret_val = r4._get_file(desc, aid, rcut=9, nmax=10, lmax=10)
assert np.array_equal(ret_val, res)
shutil.rmtree("./tests/results/")
def test_store(self):
'''Tests storing results as a numpy array or other type'''
r3 = Store("./tests/results")
result = "Random test result"
desc = "test_desc"
aid = "111"
kw1 = "option_1"
kw2 = "option_2"
r3.store(result, desc, aid, a=kw1, b=kw2)
fname = r3._generate_file_name(desc, aid, a=kw1, b=kw2)
fpath = os.path.join(r3.root, desc, aid, fname)
assert os.path.exists(fpath)
shutil.rmtree("./tests/results/")