def test_add_get_dataset_with_cuba_keys_argument(self):
        engine = self.engine_factory()
        items = self.create_dataset_items()
        reference = self.create_dataset(name='test')
        expected = self.create_dataset(name='test')

        # Add some CUBA data
        for point in [p for p in items if isinstance(p, Point)]:
            point.data = DataContainer({CUBA.VELOCITY: [1, 0, 0]})
            expected.add([point])
            point.data = DataContainer(
                {CUBA.VELOCITY: [1, 0, 0], CUBA.MASS: 1})
            reference.add([point])

        for edge in [e for e in items if isinstance(e, Edge)]:
            expected.add([edge])
            reference.add([edge])

        for face in [f for f in items if isinstance(f, Face)]:
            expected.add([face])
            reference.add([face])

        for cell in [c for c in items if isinstance(c, Cell)]:
            expected.add([cell])
            reference.add([cell])

        # Store reference dataset along with its data
        engine.add_dataset(reference, {CUBA.POINT: [CUBA.VELOCITY]})

        # Closing and reopening the file
        engine.close()
        engine = self.engine_factory()

        ds = engine.get_dataset('test')
        self.compare_dataset(ds, expected)
def main():
    print("""
    Benchmarking various operations between different data containers

    .. note:

        Only the relative time taken for each type of container within a
        section is comparable.

    """)
    print('Initialization:')
    print("dict:", bench(lambda: dict(dict_data)))
    print("DataContainer:", bench(lambda: DataContainer(dict_data)))
    print("dict == DataContainer", dict(dict_data) == DataContainer(dict_data))
    print()
    print('Iterations:')
    print("dict:", bench(lambda: iteration(dict_data)))
    print("DataContainer:", bench(lambda: iteration(data_container)))
    print()
    print('getitem access:')
    print("dict:", bench(lambda: getitem_access(dict_data, indices)))
    print("DataContainer:",
          bench(lambda: getitem_access(data_container, indices)))
    print("dict == DataContainer",
          getitem_access(dict_data,
                         indices) == getitem_access(data_container,
                                                    indices))  # noqa
    print()
    print('setitem with CUBA keys:')
    print("dict:", bench(lambda: setitem_with_CUBA_keys(dict_data)))
    print("DataContainer:",
          bench(lambda: setitem_with_CUBA_keys(data_container)))
    print("dict == DataContainer",
          setitem_with_CUBA_keys(dict_data) == setitem_with_CUBA_keys(
              data_container))  # noqa
 def test_update_with_a_dictionary(self):
     container = DataContainer()
     data = {key: 3 for key in CUBA}
     container.update(data)
     self.assertEqual(container, data)
     for key in container:
         self.assertIsInstance(key, CUBA)
 def test_update_with_a_dictionary(self):
     container = DataContainer()
     data = {key: 3 for key in CUBA}
     container.update(data)
     self.assertEqual(container, data)
     for key in container:
         self.assertIsInstance(key, CUBA)
 def test_update_with_a_iterable(self):
     container = DataContainer()
     data = [(key,  3) for key in CUBA]
     container.update(data)
     # Check that has all the values
     for key, value in data:
         self.assertEqual(container[key], value)
         self.assertIsInstance(key, CUBA)
 def test_update_with_keywords(self):
     container = DataContainer()
     data = {key: index + 3 for index, key in enumerate(CUBA.__members__)}
     container.update(**data)
     self.assertEqual(
         container, {key: index + 3 for index, key in enumerate(CUBA)})
     for key in container:
         self.assertIsInstance(key, CUBA)
 def test_update_with_a_iterable(self):
     container = DataContainer()
     data = [(key, 3) for key in CUBA]
     container.update(data)
     # Check that has all the values
     for key, value in data:
         self.assertEqual(container[key], value)
         self.assertIsInstance(key, CUBA)
 def test_update_with_keywords(self):
     container = DataContainer()
     data = {key: index + 3 for index, key in enumerate(CUBA.__members__)}
     container.update(**data)
     self.assertEqual(container,
                      {key: index + 3
                       for index, key in enumerate(CUBA)})
     for key in container:
         self.assertIsInstance(key, CUBA)
Example #9
0
    def test_compare_data_containers_equal(self):
        data = create_data_container()
        expected = create_data_container()

        # This should pass without a problem
        compare_data_containers(data, expected, testcase=self)
        compare_data_containers(DataContainer(),
                                DataContainer(),
                                testcase=self)
        compare_data_containers({}, DataContainer(), testcase=self)
 def test_update_with_keywords_and_iterable(self):
     container = DataContainer()
     data = {
         key: 3 for index, key in enumerate(CUBA.__members__)
         if key != str(CUBA("POTENTIAL_ENERGY"))[5:]}
     container.update([(CUBA("POTENTIAL_ENERGY"), 23)], **data)
     expected = {key: index + 3 for index, key in enumerate(CUBA)}
     expected[CUBA("POTENTIAL_ENERGY")] = 23
     for key in container:
         self.assertIsInstance(key, CUBA)
 def test_update_with_keywords_and_iterable(self):
     container = DataContainer()
     data = {
         key: index + 3 for index, key in enumerate(CUBA.__members__)
         if key != str(CUBA(10))[5:]}
     container.update([(CUBA(10), 23)], **data)
     expected = {key: index + 3 for index, key in enumerate(CUBA)}
     expected[CUBA(10)] = 23
     self.assertDictEqual(container, expected)
     for key in container:
         self.assertIsInstance(key, CUBA)
 def test_update_with_keywords_and_iterable(self):
     container = DataContainer()
     data = {
         key: 3
         for index, key in enumerate(CUBA.__members__)
         if key != str(CUBA("POTENTIAL_ENERGY"))[5:]
     }
     container.update([(CUBA("POTENTIAL_ENERGY"), 23)], **data)
     expected = {key: index + 3 for index, key in enumerate(CUBA)}
     expected[CUBA("POTENTIAL_ENERGY")] = 23
     for key in container:
         self.assertIsInstance(key, CUBA)
Example #13
0
def generate_particles(smp_particles, smp_conditions, smp_materials, smp_pe):
    # Define the particle containers.
    particles = SParticles(name='particles')

    # Fill the data ( particle )
    data = DataContainer()
    data[CUBA.RADIUS] = 5e-5

    particles.add([
        SParticle(
            coordinates=(0.002, 0.004, 0.004),
            data=DataContainer(data),
        )
    ])

    material = api.Material(name='material_' + particles.name)
    materialData = material.data

    materialData[CUBA.DENSITY] = 950.0
    materialData[CUBA.YOUNG_MODULUS] = 35e9
    materialData[CUBA.POISSON_RATIO] = 0.20
    materialData[CUBA.FRICTION_COEFFICIENT] = 0.5773502691896257
    # materialData[CUBA.PARTICLE_COHESION] = 0.0
    materialData[CUBA.RESTITUTION_COEFFICIENT] = 0.02
    materialData[CUBA.ROLLING_FRICTION] = 0.01
    # materialData[CUBA.DEM_CONTINUUM_CONSTITUTIVE_LAW_NAME] = \
    # "DEM_KDEMFabric"
    # materialData[CUBA.DEM_DISCONTINUUM_CONSTITUTIVE_LAW_NAME] = \
    # "DEM_D_Hertz_viscous_Coulomb"
    # materialData[CUBA.CONTACT_TAU_ZERO] = 25
    # materialData[CUBA.CONTACT_SIGMA_MIN] = 5
    # materialData[CUBA.CONTACT_INTERNAL_FRICC] = 1

    material.data = materialData

    particlesData = particles.data
    particlesData[CUBA.MATERIAL] = material.name
    particles.data = particlesData

    # Pack the return objects
    smp_particles.append(particles)
    smp_materials.append(material)

    # Add the datasets that will be used by the wrapper
    smp_pe.data[CUBA.DATA_SET].append(particles.name)

    return {
        'datasets': smp_particles,
        'conditions': smp_conditions,
        'materials': smp_materials,
        'pe': smp_pe,
    }
Example #14
0
    def test_compare_mesh_datasets_equal(self):
        # given
        mesh = Mesh(name="test")
        reference = Mesh(name="test")

        point_list = create_points_with_id()
        edge_list = create_edges()
        face_list = create_faces()
        cell_list = create_cells()

        data = DataContainer()

        mesh.add(point_list)
        mesh.add(edge_list)
        mesh.add(face_list)
        mesh.add(cell_list)

        reference.add(point_list)
        reference.add(edge_list)
        reference.add(face_list)
        reference.add(cell_list)

        mesh.data = data
        reference.data = data

        # this should pass without problems
        compare_mesh_datasets(mesh, reference, testcase=self)
Example #15
0
 def test_simple_particle_custom(self):
     data = DataContainer()
     data[CUBA.RADIUS] = 3.0
     particle = Particle([20.5, 30.5, 40.5], uuid.UUID(int=33), data)
     self.assertIsInstance(particle, Particle)
     self.assertEqual(particle.coordinates, (20.5, 30.5, 40.5))
     self.assertEqual(particle.uid, uuid.UUID(int=33))
     self.assertEqual(particle.data, data)
Example #16
0
    def test_compare_particles_datasets_not_equal(self):
        # given
        particles = Particles(name="test")
        reference = Particles(name="test_ref")

        particle_list = create_particles_with_id()
        bond_list = create_bonds()
        data = create_data_container()

        particles.add(particle_list)
        reference.add(particle_list)

        particles.add(bond_list)
        reference.add(bond_list)

        particles.data = data
        reference.data = data

        # when/then
        with self.assertRaises(AssertionError):
            compare_particles_datasets(particles, reference, testcase=self)

        # given
        test_particles = create_particles_with_id()

        particles = Particles(name=reference.name)
        particles.add(test_particles)
        particles.add(bond_list)
        particles.data = data

        # when/then
        with self.assertRaises(AssertionError):
            compare_particles_datasets(particles, reference, testcase=self)

        # given
        test_bonds = create_bonds()

        particles = Particles(name=reference.name)
        particles.add(particle_list)
        particles.add(test_bonds)
        particles.data = data

        # when/then
        with self.assertRaises(AssertionError):
            compare_particles_datasets(particles, reference, testcase=self)

        # given
        test_data = DataContainer()

        particles = Particles(name=reference.name)
        particles.add(particle_list)
        particles.add(bond_list)
        particles.data = test_data

        # when/then
        with self.assertRaises(AssertionError):
            compare_particles_datasets(particles, reference, testcase=self)
Example #17
0
    def setUp(self):
        register.OpenFOAMExtension()

        self.engine = EngineInterface.Internal

        self.mesh = TestMesh(name="mesh1")

        self.points = [
            Point(
                (0.0, 0.0, 0.0)),
            Point(
                (1.0, 0.0, 0.0)),
            Point(
                (1.0, 0.0, 1.0)),
            Point(
                (0.0, 0.0, 1.0)),
            Point(
                (0.0, 1.0, 0.0)),
            Point(
                (1.0, 1.0, 0.0)),
            Point(
                (1.0, 1.0, 1.0)),
            Point(
                (0.0, 1.0, 1.0))
        ]

        puids = self.mesh.add(self.points)

        self.faces = [
            Face([puids[0], puids[3], puids[7], puids[4]]),
            Face([puids[1], puids[2], puids[6], puids[5]]),
            Face([puids[0], puids[1], puids[5], puids[4]]),
            Face([puids[3], puids[2], puids[6], puids[7]]),
            Face([puids[0], puids[1], puids[2], puids[3]]),
            Face([puids[4], puids[5], puids[6], puids[7]])
        ]

        self.fuids = self.mesh.add(self.faces)

        self.cells = [
            Cell(puids,
                 data=DataContainer({CUBA.VELOCITY: [1, 0, 0],
                                     CUBA.PRESSURE: 4.0}))
        ]

        self.puids = puids

        self.mesh.add(self.cells)

        self.boundaries = {"boundary"+str(i): [self.fuids[i]]
                           for i in range(6)}
        self.mesh._boundaries = self.boundaries

        self.cuds = CUDS(name='cuds')
        cfd = Cfd(name='default cfd model')
        self.cuds.add([cfd, self.mesh])
Example #18
0
 def test_simple_bond(self):
     data = DataContainer()
     data[CUBA.RADIUS] = 2.0
     uuids = [uuid.UUID(int=i) for i in range(3)]
     bond = Bond(uuids, uuid.UUID(int=12), data)
     self.assertIsInstance(bond, Bond)
     self.assertEqual(bond.particles, tuple(uuids))
     self.assertEqual(bond.uid,  uuid.UUID(int=12))
     self.assertEqual(bond.particles, tuple(uuids))
     self.assertEqual(bond.data, data)
 def test_initialization_with_keywords_and_iterable(self):
     data = {
         key: 3
         for index, key in enumerate(CUBA.__members__)
         if key != str(CUBA("POTENTIAL_ENERGY"))[5:]
     }
     container = DataContainer([(CUBA("POTENTIAL_ENERGY"), 23)], **data)
     expected = {key: 3 for index, key in enumerate(CUBA)}
     expected[CUBA("POTENTIAL_ENERGY")] = 23
     self.assertDictEqual(container, expected)
     for key in container:
         self.assertIsInstance(key, CUBA)
    def setUp(self):

        self.mesh = TestMesh(name="mesh1")
        self.solver = 'pimpleFoam'

        self.points = [
            Point((0.0, 0.0, 0.0)),
            Point((1.0, 0.0, 0.0)),
            Point((1.0, 0.0, 1.0)),
            Point((0.0, 0.0, 1.0)),
            Point((0.0, 1.0, 0.0)),
            Point((1.0, 1.0, 0.0)),
            Point((1.0, 1.0, 1.0)),
            Point((0.0, 1.0, 1.0))
        ]

        puids = self.mesh.add(self.points)

        self.faces = [
            Face([puids[0], puids[3], puids[7], puids[4]]),
            Face([puids[1], puids[2], puids[6], puids[5]]),
            Face([puids[0], puids[1], puids[5], puids[4]]),
            Face([puids[3], puids[2], puids[6], puids[7]]),
            Face([puids[0], puids[1], puids[2], puids[3]]),
            Face([puids[4], puids[5], puids[6], puids[7]])
        ]

        self.edges = [Edge([puids[0], puids[3]])]

        self.fuids = self.mesh.add(self.faces)

        self.cells = [
            Cell(puids,
                 data=DataContainer({
                     CUBA.VELOCITY: [1, 0, 0],
                     CUBA.PRESSURE:
                     4.0,
                     CUBA.STRAIN_TENSOR: [1, 0, 0, 0, 1, 0, 0, 0, 1],
                     CUBA.STRESS_TENSOR: [1, 0, 0, 0, 1, 0, 0, 0, 1],
                     CUBA.HOMOGENIZED_STRESS_TENSOR:
                     [1, 0, 0, 0, 1, 0, 0, 0, 1]
                 }))
        ]

        self.puids = puids

        self.mesh.add(self.cells)

        self.boundaries = {
            "boundary" + str(i): [self.fuids[i]]
            for i in range(6)
        }
        self.mesh._boundaries = self.boundaries
Example #21
0
    def test_compare_lattice_datasets_not_equal(self):
        # given
        lattice = make_cubic_lattice('test', 1.0, (2, 3, 4))
        reference = make_cubic_lattice('test_ref', 1.0, (
            2,
            3,
            4,
        ))

        data = create_data_container()

        lattice.data = data
        reference.data = data

        # when/then
        with self.assertRaises(AssertionError):
            compare_lattice_datasets(lattice, reference, testcase=self)

        # given
        test_data = DataContainer()

        lattice = make_cubic_lattice('test_ref', 1.0, (2, 3, 4))
        lattice.data = test_data

        # when/then
        with self.assertRaises(AssertionError):
            compare_lattice_datasets(lattice, reference, testcase=self)

        # given
        lattice = make_cubic_lattice('test', 2.0, (2, 3, 4))
        lattice.data = data

        # when/then
        with self.assertRaises(AssertionError):
            compare_lattice_datasets(lattice, reference, testcase=self)

        # given
        lattice = make_cubic_lattice('test_ref', 1.0, (4, 6, 8))
        lattice.data = data

        # when/then
        with self.assertRaises(AssertionError):
            compare_lattice_datasets(lattice, reference, testcase=self)

        # given
        lattice = make_cubic_lattice('test_ref', 1.0, (2, 3, 4),
                                     (2.0, 2.0, 2.0))
        lattice.data = data

        # when/then
        with self.assertRaises(AssertionError):
            compare_lattice_datasets(lattice, reference, testcase=self)
Example #22
0
    def test_add_get_dataset_with_cuba_keys_argument(self):
        engine = self.engine_factory()
        reference = self.create_dataset(name='test')
        expected = self.create_dataset(name='test')

        # Add some CUBA data
        for node in reference.iter(item_type=CUBA.NODE):
            node.data = DataContainer({CUBA.NAME: 'test_container'})
            expected.update([node])
            node.data = DataContainer({CUBA.NAME: 'test_container',
                                       CUBA.DENSITY: 2})
            reference.update([node])

        # Store reference dataset along with its data
        engine.add_dataset(reference, {CUBA.NODE: [CUBA.NAME]})

        # Closing and reopening the file
        engine.close()
        engine = self.engine_factory()

        ds = engine.get_dataset('test')
        self.compare_dataset(ds, expected)
Example #23
0
 def test_get_data(self):
     saved_keys = self.saved_keys
     data = create_data_container(restrict=saved_keys)
     data1 = DataContainer(data)
     key = saved_keys[0]
     data[key] = dummy_cuba_value(key) + dummy_cuba_value(key)
     with self.new_table('my_data_table') as table:
         table.append(data)
         table.append(data1)
     with self.open_table('my_data_table') as table:
         self.assertEqual(len(table), 2)
         self.assertDataContainersEqual(table[0], data)
         self.assertDataContainersEqual(table[1], data1)
 def test_delete_data(self):
     saved_keys = self.saved_keys
     data = create_data_container(restrict=saved_keys)
     with self.new_table('my_data_table') as table:
         uid0 = table.append(data)
         new_data = DataContainer(data)
         key = saved_keys[0]
         data[key] = dummy_cuba_value(key) + dummy_cuba_value(key)
         uid1 = table.append(new_data)
     with self.open_table('my_data_table', mode='a') as table:
         del table[uid0]
         loaded_data = table[uid1]
         self.assertEqual(len(table), 1)
         self.assertDataContainersEqual(loaded_data, new_data)
Example #25
0
    def test_add_get_dataset_with_cuba_keys_argument(self):
        engine = self.engine_factory()
        items = self.create_dataset_items()
        reference = self.create_dataset(name='test')
        expected = self.create_dataset(name='test')

        # Add some CUBA data
        for particle in items:
            particle.data = DataContainer({CUBA.VELOCITY: [1, 0, 0]})
            expected.add([particle])
            particle.data = DataContainer(
                {CUBA.VELOCITY: [1, 0, 0], CUBA.MASS: 1})
            reference.add([particle])

        # Store reference dataset along with its data
        engine.add_dataset(reference, {CUBA.PARTICLE: [CUBA.VELOCITY]})

        # Closing and reopening the file
        engine.close()
        engine = self.engine_factory()

        ds = engine.get_dataset('test')
        self.compare_dataset(ds, expected)
 def test_delete_data_with_invalid_uid(self):
     saved_keys = self.saved_keys
     data = create_data_container(restrict=saved_keys)
     with self.new_table('my_data_table') as table:
         uid0 = table.append(data)
         new_data = DataContainer(data)
         key = saved_keys[0]
         data[key] = dummy_cuba_value(key) + dummy_cuba_value(key)
         table.append(new_data)
     with self.open_table('my_data_table', mode='a') as table:
         del table[uid0]
         with self.assertRaises(KeyError):
             del table[uuid.uuid4()]
         with self.assertRaises(KeyError):
             del table[uid0]
Example #27
0
    def test_compare_lattice_datasets_equal(self):
        # given
        lattice = make_cubic_lattice('test', 1.0, (2, 3, 4))
        reference = make_cubic_lattice('test', 1.0, (
            2,
            3,
            4,
        ))

        data = DataContainer()

        lattice.data = data
        reference.data = data

        # this should pass without problems
        compare_lattice_datasets(lattice, reference, testcase=self)
Example #28
0
    def test_compare_particles_datasets_equal(self):
        # given
        particles = Particles(name="test")
        reference = Particles(name="test")

        particle_list = create_particles_with_id()
        bond_list = create_bonds()
        data = DataContainer()

        particles.add(particle_list)
        reference.add(particle_list)

        particles.add(bond_list)
        reference.add(bond_list)

        particles.data = data
        reference.data = data

        # this should pass without problems
        compare_particles_datasets(particles, reference, testcase=self)
Example #29
0
    def test_compare_nodes_not_equal(self):
        # given
        node = LatticeNode(index=(0, 2, 1), data=create_data_container())
        reference = LatticeNode(index=(1, 2, 1), data=create_data_container())

        # when/then
        with self.assertRaises(AssertionError):
            compare_lattice_nodes(node, reference, testcase=self)

        # given
        node = LatticeNode(index=(0, 2, 1), data=DataContainer())

        # when/then
        with self.assertRaises(AssertionError):
            compare_lattice_nodes(node, reference, testcase=self)

        # given
        node = LatticeNode((0, 0, 0))

        # when/then
        with self.assertRaises(AssertionError):
            compare_lattice_nodes(node, reference, testcase=self)
Example #30
0
    def test_compare_bonds_not_equal(self):
        # given
        particles = [uuid.uuid4(), uuid.uuid4()],
        bond = Bond(uid=uuid.uuid4(),
                    particles=particles,
                    data=create_data_container())
        reference = Bond(uid=uuid.uuid4(),
                         particles=particles,
                         data=create_data_container())

        # when/then
        with self.assertRaises(AssertionError):
            compare_bonds(bond, reference, testcase=self)

        # given
        bond = Bond(uid=reference.uid,
                    particles=particles[-1],
                    data=create_data_container())

        # when/then
        with self.assertRaises(AssertionError):
            compare_bonds(bond, reference, testcase=self)

        # given
        bond = Bond(uid=uuid.uuid4(),
                    particles=particles,
                    data=DataContainer())

        # when/then
        with self.assertRaises(AssertionError):
            compare_bonds(bond, reference, testcase=self)

        # given
        bond = Bond([None])

        # when/then
        with self.assertRaises(AssertionError):
            compare_bonds(bond, reference, testcase=self)
Example #31
0
    def test_compare_elements_not_equal(self):
        # given
        points = [uuid.uuid4(), uuid.uuid4(), uuid.uuid4()],
        element = Element(uid=uuid.uuid4(),
                          points=points,
                          data=create_data_container())
        reference = Element(uid=uuid.uuid4(),
                            points=points,
                            data=create_data_container())

        # when/then
        with self.assertRaises(AssertionError):
            compare_elements(element, reference, testcase=self)

        # given
        element = Element(uid=reference.uid,
                          points=points[1:],
                          data=create_data_container())

        # when/then
        with self.assertRaises(AssertionError):
            compare_elements(element, reference, testcase=self)

        # given
        element = Element(uid=reference.uid,
                          points=points,
                          data=DataContainer())

        # when/then
        with self.assertRaises(AssertionError):
            compare_elements(element, reference, testcase=self)

        # given
        element = Element(points=[])

        # when/then
        with self.assertRaises(AssertionError):
            compare_elements(element, reference, testcase=self)
Example #32
0
    def test_compare_particles_not_equal(self):
        # given
        particle = Particle(uid=uuid.uuid4(),
                            coordinates=(10.0, 0.0, 2.0),
                            data=create_data_container())
        reference = Particle(uid=uuid.uuid4(),
                             coordinates=(10.0, 0.0, 2.0),
                             data=create_data_container())

        # when/then
        with self.assertRaises(AssertionError):
            compare_particles(particle, reference, testcase=self)

        # given
        particle = Particle(uid=reference.uid,
                            coordinates=(340.0, 0.0, 2.0),
                            data=create_data_container())

        # when/then
        with self.assertRaises(AssertionError):
            compare_particles(particle, reference, testcase=self)

        # given
        particle = Particle(uid=reference.uid,
                            coordinates=(10.0, 0.0, 2.0),
                            data=DataContainer())

        # when/then
        with self.assertRaises(AssertionError):
            compare_particles(particle, reference, testcase=self)

        # given
        particle = Particle()

        # when/then
        with self.assertRaises(AssertionError):
            compare_particles(particle, reference, testcase=self)
Example #33
0
    def test_compare_points_not_equal(self):
        # given
        point = Point(uid=uuid.uuid4(),
                      coordinates=(10.0, 0.0, 2.0),
                      data=create_data_container())
        reference = Point(uid=uuid.uuid4(),
                          coordinates=(10.0, 0.0, 2.0),
                          data=create_data_container())

        # when/then
        with self.assertRaises(AssertionError):
            compare_points(point, reference, testcase=self)

        # given
        point = Point(uid=reference.uid,
                      coordinates=(10.0, 30.0, 2.0),
                      data=create_data_container())

        # when/then
        with self.assertRaises(AssertionError):
            compare_points(point, reference, testcase=self)

        # given
        point = Point(uid=reference.uid,
                      coordinates=(10.0, 0.0, 2.0),
                      data=DataContainer())

        # when/then
        with self.assertRaises(AssertionError):
            compare_points(point, reference, testcase=self)

        # given
        point = Point((0, 0, 0))

        # when/then
        with self.assertRaises(AssertionError):
            compare_points(point, reference, testcase=self)
 def test_setitem_with_cuba_key(self):
     container = DataContainer()
     container[CUBA("POTENTIAL_ENERGY")] = 29
     self.assertIsInstance(container.keys()[0], CUBA)
     self.assertEqual(container[CUBA("POTENTIAL_ENERGY")], 29)
 def test_update_with_a_dictionary_of_strings(self):
     container = DataContainer()
     data = {str(key): 3 for key in CUBA}
     with self.assertRaises(ValueError):
         container.update(data)
 def test_update_with_non_cuba_iterable(self):
     container = DataContainer()
     with self.assertRaises(ValueError):
         container.update([('foo', 5)])
 def test_initialization_with_non_cuba_generator(self):
     generator = (('foo' + str(i), i) for i in range(5))
     with self.assertRaises(ValueError):
         DataContainer(generator)
 def test_update_with_non_cuba_dict(self):
     container = DataContainer()
     with self.assertRaises(ValueError):
         container.update({'foo': 5})
 def test_update_with_a_dictionary_of_strings(self):
     container = DataContainer()
     data = {str(key): 3 for key in CUBA}
     with self.assertRaises(ValueError):
         container.update(data)
 def test_update_with_non_cuba_kwards(self):
     container = DataContainer()
     with self.assertRaises(ValueError):
         container.update(bar=5)