def test_tors_2(self):
val = nuclinfo.tors(self.u, seg='RNAA', i=21)
assert_allclose(val, [
300.047634, 172.476593, 50.744877, 82.144211, 206.106445,
286.208565, 195.652176
],
rtol=1e-03)
def test_tors_1(self):
val = nuclinfo.tors(self.u, seg='RNAA', i=5)
assert_allclose(val, [
296.103016, 179.084427, 47.712818, 81.49588, 205.350479,
284.046562, 198.58165
],
rtol=1e-03)
def test_torsions(universe):
nucl_acid = np.array(nuclinfo.tors(universe, "RNAA", 4), dtype=np.float32)
expected_nucl_acid = np.array(
[296.45596313, 177.79353333, 48.67910767, 81.81109619, 205.58882141, 286.37353516, 198.09187317],
dtype=np.float32)
assert_almost_equal(nucl_acid, expected_nucl_acid, PREC,
err_msg="Backbone torsion does not have expected values for "
"alpha, beta, gamma, epsilon, zeta, chi.")
def test_torsions(universe):
nucl_acid = np.array(nuclinfo.tors(universe, "RNAA", 4), dtype=np.float32)
expected_nucl_acid = np.array([
296.45596313, 177.79353333, 48.67910767, 81.81109619, 205.58882141,
286.37353516, 198.09187317
],
dtype=np.float32)
assert_almost_equal(
nucl_acid,
expected_nucl_acid,
PREC,
err_msg="Backbone torsion does not have expected values for "
"alpha, beta, gamma, epsilon, zeta, chi.")
def test_tors(u, seg, i, expected_value):
val = nuclinfo.tors(u, seg=seg, i=i)
assert_allclose(val, expected_value, rtol=1e-03)
def test_tors(u, seg, i, expected_value):
val = nuclinfo.tors(u, seg=seg, i=i)
assert_allclose(val, expected_value, rtol=1e-03)