def test_angle_histogram(self, p3ht_gsd):
angles_hist = angle_distribution(
p3ht_gsd, "cc", "ss", "cc", start=0, stop=1, histogram=True
)
angles_no_hist = angle_distribution(
p3ht_gsd, "cc", "ss", "cc", start=0, stop=1, histogram=False
)
assert angles_hist.ndim == 2
assert angles_no_hist.ndim == 1
def test_angle_distribution_order(self, p3ht_gsd):
angles = angle_distribution(p3ht_gsd,
"ss",
"cc",
"cd",
start=0,
stop=1)
angles2 = angle_distribution(p3ht_gsd,
"cd",
"cc",
"ss",
start=0,
stop=1)
assert angles.shape[0] > 0
assert angles.shape == angles2.shape
assert np.array_equal(angles, angles2)
def test_angle_not_found(self, p3ht_gsd):
with pytest.raises(ValueError):
angles = angle_distribution(p3ht_gsd,
"cc",
"xx",
"cc",
start=0,
stop=1)
def test_angle_distribution_rad(self, p3ht_gsd):
angles = angle_distribution(p3ht_gsd,
"cc",
"ss",
"cc",
start=0,
stop=1,
degrees=False)
for ang in angles:
assert 1.40 < ang < 1.75
def test_angle_distribution_deg(self, p3ht_gsd):
angles = angle_distribution(p3ht_gsd,
"cc",
"ss",
"cc",
start=0,
stop=1,
degrees=True)
for ang in angles:
assert 80 < ang < 100
def test_angle_range_outside(self, p3ht_gsd):
with pytest.warns(UserWarning):
angles_hist = angle_distribution(p3ht_gsd,
"cc",
"ss",
"cc",
start=0,
stop=1,
histogram=True,
theta_min=120,
theta_max=180)
def test_angle_dist_normalize(self, p3ht_gsd):
angles_hist = angle_distribution(
p3ht_gsd,
"cc",
"ss",
"cc",
start=0,
stop=1,
histogram=True,
normalize=True,
)
assert np.allclose(np.sum(angles_hist[:,1]), 1, 1e-3)
def test_angle_distribution_range(self, p3ht_gsd):
angles = angle_distribution(p3ht_gsd,
"cc",
"ss",
"cc",
start=0,
stop=1,
histogram=True,
degrees=True,
theta_min=10,
theta_max=180)
assert np.allclose(angles[0, 0], 10, atol=0.5)
assert np.allclose(angles[-1, 0], 180, atol=0.5)