def test_hkl_bragg_edge_correctly_displayed(self):
"""Assert in Lattice - hkl bragg edge correctly displayed"""
_material = "Si"
_crystal_structure = "FCC"
_bragg_edge_array = np.array([1.1, 2.2, 3.3, 4.4])
o_lattice = Lattice(material=_material,
crystal_structure=_crystal_structure,
bragg_edge_array=_bragg_edge_array)
o_lattice._match_bragg_edge_with_hkl()
self.assertTrue(o_lattice.display_hkl_bragg_edge())
def test_hkl_bragg_edge_correctly_displayed(self):
"""Assert in Lattice - hkl bragg edge correctly displayed"""
_material = "Si"
_crystal_structure = "FCC"
_bragg_edge_array = np.array([1.1, 2.2, 3.3, 4.4])
o_lattice = Lattice(material = _material,
crystal_structure = _crystal_structure,
bragg_edge_array = _bragg_edge_array)
o_lattice._match_bragg_edge_with_hkl()
self.assertTrue(o_lattice.display_hkl_bragg_edge())
def test_lattice_coefficient_correctly_calculated(self):
"""Assert in Lattice - lattice coefficient correctly calculated for [1,1,1]"""
_material = "Si"
_crystal_structure = "FCC"
_bragg_edge_array = np.array([1.1, 2.2, 3.3, 4.4])
o_lattice = Lattice(material = _material,
crystal_structure = _crystal_structure,
bragg_edge_array = _bragg_edge_array)
o_lattice._match_bragg_edge_with_hkl()
o_lattice._calculate_lattice_array()
self.assertEqual(len(_bragg_edge_array), len(o_lattice.lattice_array))
self.assertAlmostEqual(0.952628, o_lattice.lattice_array[0], delta=0.00001)
def test_display_recap(self):
"""Assert in Lattice - lattice recap displayed correctly"""
_material = "Si"
_crystal_structure = "FCC"
_bragg_edge_array = np.array([1.1, 2.2, 3.3, 4.4])
o_lattice = Lattice(material=_material,
crystal_structure=_crystal_structure,
bragg_edge_array=_bragg_edge_array)
o_lattice._match_bragg_edge_with_hkl()
o_lattice._calculate_lattice_array()
o_lattice._calculate_lattice_statistics()
o_lattice.display_recap()
def test_display_recap(self):
"""Assert in Lattice - lattice recap displayed correctly"""
_material = "Si"
_crystal_structure = "FCC"
_bragg_edge_array = np.array([1.1, 2.2, 3.3, 4.4])
o_lattice = Lattice(material = _material,
crystal_structure = _crystal_structure,
bragg_edge_array = _bragg_edge_array)
o_lattice._match_bragg_edge_with_hkl()
o_lattice._calculate_lattice_array()
o_lattice._calculate_lattice_statistics()
o_lattice.display_recap()
def test_bragg_edge_crystal_structure_correctly_created_for_incomplete_list(self):
"""Assert in Lattice - bragg edge crystal structure correctly created for incomplete list"""
_material = "Si"
_crystal_structure = "FCC"
_bragg_edge_array = np.array([1.1, None, None, 4.4])
o_lattice = Lattice(material = _material,
crystal_structure = _crystal_structure,
bragg_edge_array = _bragg_edge_array)
o_lattice._match_bragg_edge_with_hkl()
_expected_first_key = [1, 1, 1]
_expected_first_value = 1.1
self.assertEqual(_expected_first_key, o_lattice.hkl_bragg_edge[0][0])
self.assertEqual(_expected_first_value, o_lattice.hkl_bragg_edge[0][1])
_expected_second_key = [2, 0, 0]
_expected_second_value = np.NaN
self.assertEqual(_expected_second_key, o_lattice.hkl_bragg_edge[1][0])
self.assertTrue(math.isnan(o_lattice.hkl_bragg_edge[1][1]))
def test_bragg_edge_crystal_structure_correctly_created(self):
"""Assert in Lattice - bragg edge crystal structure correctly created"""
_material = "Si"
_crystal_structure = "FCC"
_bragg_edge_array = np.array([1.1, 2.2, 3.3, 4.4])
o_lattice = Lattice(material = _material,
crystal_structure = _crystal_structure,
bragg_edge_array = _bragg_edge_array)
o_lattice._match_bragg_edge_with_hkl()
_expected_first_key = [1, 1, 1]
_expected_first_value = 1.1
self.assertEqual(_expected_first_key, o_lattice.hkl_bragg_edge[0][0])
self.assertEqual(_expected_first_value, o_lattice.hkl_bragg_edge[0][1])
_expected_second_key = [2, 0, 0]
_expected_second_value = 2.2
self.assertEqual(_expected_second_key, o_lattice.hkl_bragg_edge[1][0])
self.assertEqual(_expected_second_value, o_lattice.hkl_bragg_edge[1][1])
def test_correctly_hkl_returned_for_Si_4entries_with_None(self):
"""Assert in Lattice - hkl array correctly calculated and reported for 4 entries with None"""
_material = 'Si'
_crystal_structure = 'FCC'
_bragg_edge_array = np.array([1, 2, None, 3])
o_lattice = Lattice(material=_material,
crystal_structure=_crystal_structure,
bragg_edge_array=_bragg_edge_array)
_hkl_expected = [[1, 1, 1], [2, 0, 0], [2, 2, 0], [2, 2, 2]]
self.assertTrue(o_lattice.hkl == _hkl_expected)
def test_bragg_edge_crystal_structure_correctly_created_for_incomplete_list(
self):
"""Assert in Lattice - bragg edge crystal structure correctly created for incomplete list"""
_material = "Si"
_crystal_structure = "FCC"
_bragg_edge_array = np.array([1.1, None, None, 4.4])
o_lattice = Lattice(material=_material,
crystal_structure=_crystal_structure,
bragg_edge_array=_bragg_edge_array)
o_lattice._match_bragg_edge_with_hkl()
_expected_first_key = [1, 1, 1]
_expected_first_value = 1.1
self.assertEqual(_expected_first_key, o_lattice.hkl_bragg_edge[0][0])
self.assertEqual(_expected_first_value, o_lattice.hkl_bragg_edge[0][1])
_expected_second_key = [2, 0, 0]
_expected_second_value = np.NaN
self.assertEqual(_expected_second_key, o_lattice.hkl_bragg_edge[1][0])
self.assertTrue(math.isnan(o_lattice.hkl_bragg_edge[1][1]))
def test_bragg_edge_crystal_structure_correctly_created(self):
"""Assert in Lattice - bragg edge crystal structure correctly created"""
_material = "Si"
_crystal_structure = "FCC"
_bragg_edge_array = np.array([1.1, 2.2, 3.3, 4.4])
o_lattice = Lattice(material=_material,
crystal_structure=_crystal_structure,
bragg_edge_array=_bragg_edge_array)
o_lattice._match_bragg_edge_with_hkl()
_expected_first_key = [1, 1, 1]
_expected_first_value = 1.1
self.assertEqual(_expected_first_key, o_lattice.hkl_bragg_edge[0][0])
self.assertEqual(_expected_first_value, o_lattice.hkl_bragg_edge[0][1])
_expected_second_key = [2, 0, 0]
_expected_second_value = 2.2
self.assertEqual(_expected_second_key, o_lattice.hkl_bragg_edge[1][0])
self.assertEqual(_expected_second_value,
o_lattice.hkl_bragg_edge[1][1])
def test_lattice_statistics(self):
"""Assert in Lattice - lattice statistics correctly calculated for Si"""
_material = "Si"
_crystal_structure = "FCC"
_bragg_edge_array = np.array([1.1, 2.2, 3.3, 4.4])
o_lattice = Lattice(material=_material,
crystal_structure=_crystal_structure,
bragg_edge_array=_bragg_edge_array)
o_lattice._match_bragg_edge_with_hkl()
o_lattice._calculate_lattice_array()
o_lattice._calculate_lattice_statistics()
_statistics = o_lattice.lattice_statistics
_delta = 1e-4
self.assertAlmostEqual(2.549745, _statistics['std'], delta=_delta)
self.assertAlmostEqual(0.952628, _statistics['min'], delta=_delta)
self.assertAlmostEqual(7.621024, _statistics['max'], delta=_delta)
self.assertAlmostEqual(3.433452, _statistics['median'], delta=_delta)
self.assertAlmostEqual(3.860139, _statistics['mean'][0], delta=_delta)
def test_lattice_coefficient_correctly_calculated(self):
"""Assert in Lattice - lattice coefficient correctly calculated for [1,1,1]"""
_material = "Si"
_crystal_structure = "FCC"
_bragg_edge_array = np.array([1.1, 2.2, 3.3, 4.4])
o_lattice = Lattice(material=_material,
crystal_structure=_crystal_structure,
bragg_edge_array=_bragg_edge_array)
o_lattice._match_bragg_edge_with_hkl()
o_lattice._calculate_lattice_array()
self.assertEqual(len(_bragg_edge_array), len(o_lattice.lattice_array))
self.assertAlmostEqual(0.952628,
o_lattice.lattice_array[0],
delta=0.00001)
def test_lattice_statistics(self):
"""Assert in Lattice - lattice statistics correctly calculated for Si"""
_material = "Si"
_crystal_structure = "FCC"
_bragg_edge_array = np.array([1.1, 2.2, 3.3, 4.4])
o_lattice = Lattice(material = _material,
crystal_structure = _crystal_structure,
bragg_edge_array = _bragg_edge_array)
o_lattice._match_bragg_edge_with_hkl()
o_lattice._calculate_lattice_array()
o_lattice._calculate_lattice_statistics()
_statistics = o_lattice.lattice_statistics
_delta = 1e-4
self.assertAlmostEqual(2.549745, _statistics['std'], delta = _delta)
self.assertAlmostEqual(0.952628, _statistics['min'], delta = _delta)
self.assertAlmostEqual(7.621024, _statistics['max'], delta = _delta)
self.assertAlmostEqual(3.433452, _statistics['median'], delta = _delta)
self.assertAlmostEqual(3.860139, _statistics['mean'][0], delta = _delta)
