Esempio n. 1
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 def test_z_calculations(self):
     # Checks wether the atom can calculate stretched values:
     # 1. When everything is set up the way it should be:
     default_z = 9.0
     lattice_d = 5.4
     factor = 0.5
     class DummyComponent(object):
         def get_interlayer_stretch_factors(self):
             return lattice_d, factor
     parent = DummyComponent()
     atom = Atom(parent=parent)
     atom.stretch_values = True
     atom.default_z = default_z
     z = atom.z
     self.assertEqual(z, lattice_d + (default_z - lattice_d) * factor)
     # 2. When no component is set, but stretched is True: should not raise an error, but simple ignore the stretching
     atom.parent = None
     z = atom.z
Esempio n. 2
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    def test_z_calculations(self):
        # Checks wether the atom can calculate stretched values:
        # 1. When everything is set up the way it should be:
        default_z = 9.0
        lattice_d = 5.4
        factor = 0.5

        parent = Mock()
        parent.configure_mock(**{
            'get_interlayer_stretch_factors.return_value': (lattice_d, factor)
        })

        atom = Atom(parent=parent)
        atom.stretch_values = True
        atom.default_z = default_z
        z = atom.z
        self.assertEqual(z, lattice_d + (default_z - lattice_d) * factor)
        # 2. When no component is set, but stretched is True: should not raise an error, but simple ignore the stretching
        atom.parent = None
        z = atom.z
Esempio n. 3
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 def test_z_calculations(self):
     # Checks wether the atom can calculate stretched values:
     # 1. When everything is set up the way it should be:
     default_z = 9.0
     lattice_d = 5.4
     factor = 0.5
     
     parent = Mock()
     parent.configure_mock(**{
         'get_interlayer_stretch_factors.return_value': (lattice_d, factor)
     })
     
     atom = Atom(parent=parent)
     atom.stretch_values = True
     atom.default_z = default_z
     z = atom.z
     self.assertEqual(z, lattice_d + (default_z - lattice_d) * factor)
     # 2. When no component is set, but stretched is True: should not raise an error, but simple ignore the stretching
     atom.parent = None
     z = atom.z
Esempio n. 4
0
    def test_z_calculations(self):
        # Checks wether the atom can calculate stretched values:
        # 1. When everything is set up the way it should be:
        default_z = 9.0
        lattice_d = 5.4
        factor = 0.5

        class DummyComponent(object):
            def get_interlayer_stretch_factors(self):
                return lattice_d, factor

        parent = DummyComponent()
        atom = Atom(parent=parent)
        atom.stretch_values = True
        atom.default_z = default_z
        z = atom.z
        self.assertEqual(z, lattice_d + (default_z - lattice_d) * factor)
        # 2. When no component is set, but stretched is True: should not raise an error, but simple ignore the stretching
        atom.parent = None
        z = atom.z