def test_to_and_from_ascii(self, saxs_benchmark):
saxs_prop_ref = ps.SaxsProperty()
saxs_prop_ref.from_crysol_int(saxs_benchmark['crysol_int'])
saxs_prop = ps.SaxsProperty()
with tempfile.NamedTemporaryFile() as f:
saxs_prop_ref.to_ascii(f.name)
saxs_prop.from_ascii(f.name)
np.testing.assert_array_almost_equal(
saxs_prop.qvalues, saxs_prop_ref.qvalues)
def test_from_crysol_pdb(self, saxs_benchmark):
saxs_prop = ps.SaxsProperty()
saxs_prop.from_crysol_pdb(saxs_benchmark['crysol_pdb'], args='')
saxs_prop_ref = ps.SaxsProperty()
saxs_prop_ref.from_crysol_int(saxs_benchmark['crysol_int'])
np.testing.assert_array_almost_equal(
saxs_prop.qvalues, saxs_prop_ref.qvalues)
np.testing.assert_array_almost_equal(
saxs_prop.profile, saxs_prop_ref.profile)
def test_default_name(self):
saxs_prop = ps.SaxsProperty()
assert saxs_prop.name == 'saxs'
def test_from_crysol_int(self, saxs_benchmark):
saxs_prop = ps.SaxsProperty()
saxs_prop.from_crysol_int(saxs_benchmark['crysol_file'])
assert saxs_prop.qvalues[8] == 0.008
assert saxs_prop.profile[8] == 1740900.0
assert saxs_prop.errors[8] == 0.0