def test_stitch_l23(self):
self.l2_xanes.y[0] = 0.1
with warnings.catch_warnings(record=True) as w:
warnings.simplefilter("always")
XAS.stitch(self.l2_xanes, self.l3_xanes, 100, mode="L23")
self.assertEqual(len(w), 1)
self.assertIs(w[-1].category, UserWarning)
self.assertIn("jump", str(w[-1].message))
self.l2_xanes = XAS.from_dict(l2_xanes_dict)
l23 = XAS.stitch(self.l2_xanes, self.l3_xanes, 100, mode="L23")
self.assertIsInstance(l23, XAS)
self.assertEqual("L23", l23.edge)
self.assertAlmostEqual(min(l23.x), min(self.l3_xanes.x), 3)
self.assertAlmostEqual(max(l23.x), max(self.l3_xanes.x), 3)
self.assertTrue(np.greater_equal(l23.y, self.l2_xanes.y).all())
self.assertEqual(len(l23.x), 100)
self.l2_xanes.spectrum_type = "EXAFS"
self.assertRaises(ValueError,
XAS.stitch,
self.l2_xanes,
self.l3_xanes,
mode="L23")
self.l2_xanes.absorbing_element = Element("Pt")
self.assertRaises(ValueError,
XAS.stitch,
self.l2_xanes,
self.l3_xanes,
mode="L23")
self.assertRaises(ValueError,
XAS.stitch,
self.k_xanes,
self.l3_xanes,
mode="L23")
def setUp(self):
self.k_xanes = XAS.from_dict(k_xanes_dict)
self.k_exafs = XAS.from_dict(k_exafs_dict)
self.l2_xanes = XAS.from_dict(l2_xanes_dict)
self.l3_xanes = XAS.from_dict(l3_xanes_dict)
self.site1_xanes = XAS.from_dict(site1_xanes_dict)
self.site2_xanes = XAS.from_dict(site2_xanes_dict)
def setUp(self):
self.xanes = XAS.from_dict(spect_data_dict)
def test_to_from_dict(self):
s = XAS.from_dict(self.k_xanes.as_dict())
self.assertArrayAlmostEqual(s.y, self.k_xanes.y)