def test_d_spacing_for_first_hkl_of_bcc(self):
"""Assert the d_spacing values for the first BCC structure are correct"""
_handler = BraggEdgeCalculator(structure_name="BCC", lattice=1.)
_handler.calculate_hkl()
_handler.calculate_bragg_edges()
self.assertAlmostEqual(0.7071, _handler.d_spacing[0], delta=0.0001)
self.assertAlmostEqual(0.5, _handler.d_spacing[1], delta=0.0001)
self.assertAlmostEqual(0.4083, _handler.d_spacing[2], delta=0.0001)
def test_d_spacing_for_first_hkl_of_bcc(self):
"""Assert the d_spacing values for the first BCC structure are correct"""
_handler = BraggEdgeCalculator(structure_name = "BCC", lattice=1.)
_handler.calculate_hkl()
_handler.calculate_bragg_edges()
self.assertAlmostEqual(0.7071, _handler.d_spacing[0], delta=0.0001)
self.assertAlmostEqual(0.5, _handler.d_spacing[1], delta=0.0001)
self.assertAlmostEqual(0.4083, _handler.d_spacing[2], delta=0.0001)
def test_bragg_edge_for_first_hkl_of_bcc(self):
"""Assert the bragg edge values for the first BCC structure are correct"""
_handler = BraggEdgeCalculator(structure_name="BCC", lattice=1.)
_handler.calculate_hkl()
_handler.calculate_bragg_edges()
self.assertAlmostEqual(1.4142, _handler.bragg_edges[0], delta=0.0001)
self.assertAlmostEqual(1.0, _handler.bragg_edges[1], delta=0.0001)
self.assertAlmostEqual(0.8165, _handler.bragg_edges[2], delta=0.0001)
def test_bragg_edge_for_first_hkl_of_bcc(self):
"""Assert the bragg edge values for the first BCC structure are correct"""
_handler = BraggEdgeCalculator(structure_name = "BCC", lattice=1.)
_handler.calculate_hkl()
_handler.calculate_bragg_edges()
self.assertAlmostEqual(1.4142, _handler.bragg_edges[0], delta=0.0001)
self.assertAlmostEqual(1.0, _handler.bragg_edges[1], delta=0.0001)
self.assertAlmostEqual(0.8165, _handler.bragg_edges[2], delta=0.0001)
