def test_right_hkl_number_calculated_for_BCC(self): """Assert that the right number of hkl sets is returned for BCC""" _structure_name = "BCC" _handler = BraggEdgeCalculator(structure_name=_structure_name, number_of_set=5) _handler.calculate_hkl() _hkl = _handler.hkl self.assertEqual(5, len(_hkl))
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_right_hkl_number_calculated_for_BCC(self): """Assert that the right number of hkl sets is returned for BCC""" _structure_name = "BCC" _handler = BraggEdgeCalculator(structure_name = _structure_name, number_of_set = 5) _handler.calculate_hkl() _hkl = _handler.hkl self.assertEqual(5, len(_hkl))
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_right_hkl_set_is_calculated_for_BCC(self): """Assert that the right set of hkl sets is returned for BCC""" _structure_name = "BCC" _handler = BraggEdgeCalculator(structure_name=_structure_name, number_of_set=5) _handler.calculate_hkl() _hkl = _handler.hkl self.assertEqual([1, 1, 0], _hkl[0]) self.assertEqual([2, 0, 0], _hkl[1]) self.assertEqual([2, 1, 1], _hkl[2]) self.assertEqual([2, 2, 0], _hkl[3]) self.assertEqual([2, 2, 2], _hkl[4])
def test_right_hkl_set_is_calculated_for_BCC(self): """Assert that the right set of hkl sets is returned for BCC""" _structure_name = "BCC" _handler = BraggEdgeCalculator(structure_name = _structure_name, number_of_set = 5) _handler.calculate_hkl() _hkl = _handler.hkl self.assertEqual([1, 1, 0], _hkl[0]) self.assertEqual([2, 0, 0], _hkl[1]) self.assertEqual([2, 1, 1], _hkl[2]) self.assertEqual([2, 2, 0], _hkl[3]) self.assertEqual([2, 2, 2], _hkl[4])
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_calculate_bragg_edges_algorithm_fail_when_no_lattice_given(self): """Assert that ValueError is correctly raised when no lattice is provided""" _handler = BraggEdgeCalculator(structure_name="BCC") self.assertRaises(ValueError, _handler.calculate_bragg_edges)
def test_right_structure_name_is_passed_in_assigned(self): """Assert that structure name assigned is correctly saved""" _structure_name = "BCC" _handler = BraggEdgeCalculator() _handler.structure = _structure_name self.assertEqual("BCC", _handler.structure)
def test_right_structure_name_is_passed_in_constructor(self): """Assert that structure name passed in constructor is correctly used""" _structure_name = "BCC" _handler = BraggEdgeCalculator(structure_name=_structure_name) self.assertEqual("BCC", _handler.structure)
def test_calling_without_arguments(self): """Testing that class can be called with default arguments from python2 and 3""" _handler = BraggEdgeCalculator() self.assertEqual("FCC", _handler.structure)