def test_basex_basis_sets_cache():
n = 121
file_name = os.path.join(DATA_DIR, "basex_basis_{}_{}.npy".format(n, n//2))
if os.path.exists(file_name):
os.remove(file_name)
# 1st call generate and save
get_bs_basex_cached(n, basis_dir=DATA_DIR, verbose=False)
# 2nd call load from file
get_bs_basex_cached(n, basis_dir=DATA_DIR, verbose=False)
if os.path.exists(file_name):
os.remove(file_name)
def test_basex_zeros():
n = 21
x = np.zeros((n, n), dtype='float32')
bs = get_bs_basex_cached(n, basis_dir=None, verbose=False)
recon = basex_transform(x, *bs)
assert_allclose(recon, 0)
def test_basex_shape():
n = 21
x = np.ones((n, n), dtype='float32')
bs = get_bs_basex_cached(n, basis_dir=None, verbose=False)
recon = basex_transform(x, *bs)
assert recon.shape == (n, n)
def test_basex_step_ratio():
"""Check a gaussian solution for BASEX"""
n = 51
r_max = 25
ref = GaussianAnalytical(n, r_max, symmetric=True, sigma=10)
tr = np.tile(ref.abel[None, :], (n, 1)) # make a 2D array from 1D
bs = get_bs_basex_cached(n, basis_dir=None, verbose=False)
recon = basex_transform(tr, *bs)
recon1d = recon[n//2 + n%2]
ratio = absolute_ratio_benchmark(ref, recon1d)
assert_allclose( ratio , 1.0, rtol=3e-2, atol=0)