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_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_unpickling_error(self):
desc = "desc"
aid = "fakepkl"
r = Store("./tests/test_paths/")
output = io.StringIO()
sys.stdout = output
r.get(desc, aid, arg1="1")
assert "UnpicklingError when loading file desc__fakepkl___arg1_1.pkl, consider deleting result and recomputing\n" == output.getvalue(
)
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/")
def test_init_store_default(self):
try:
r = Store()
except:
assert False
shutil.rmtree("./store")
assert True
def test_generate_file_name_diff_order(self):
r1 = Store(".")
f1 = r1._generate_file_name("soap", "111", nmax=11, rcut=9.0, lmax=11)
assert f1 == "soap__111___lmax_11___nmax_11___rcut_9.0.pkl"
def test_check_exists_false(self):
r1 = Store('./tests/test_paths/')
e1 = r1.check_exists('desc', 'aid1', a="b")
assert e1 == False
e2 = r1.check_exists('no_file', 'aid1', a='result1')
assert e2 == False
def test_check_exists_true(self):
r1 = Store('./tests/test_paths/')
e1 = r1.check_exists('desc', 'aid1', a="result")
assert e1 == True
def test_init_store(self):
try:
r = Store('./tests/test_paths/')
except:
assert False
assert True
def test_get_with_list(self):
r3 = Store("./tests/test_paths")
res = r3.get("soap", ['455'], rcut=5.0, nmax=9, lmax=9)
assert type(res) == dict
assert type(res['455']) is not type(None)
assert len(res) == 1
def test_get(self):
r3 = Store("./tests/test_paths")
res = r3.get("soap", '455', rcut=5.0, nmax=9, lmax=9)
assert type(res) is np.ndarray