def setUp(self): self.addTypeEqualityFunc(Bond, partial(compare_bonds, testcase=self)) self.particle_list = create_particles(restrict=self.supported_cuba()) self.container = self.container_factory("foo") self.container.add_particles(self.particle_list) self.bond_list = create_bonds(restrict=self.supported_cuba(), particles=self.particle_list) self.ids = self.container.add_bonds(self.bond_list)
def setUp(self): self.addTypeEqualityFunc(Particle, partial(compare_particles, testcase=self)) self.maxDiff = None self.particle_list = create_particles(restrict=self.supported_cuba()) self.particle_list[0].uid = uuid.uuid4() self.container = self.container_factory("foo") self.ids = self.container.add_particles(self.particle_list)
def test_create_particles(self): particles = create_particles(n=10) self.assertEqual(len(particles), 10) for index, particle in enumerate(particles): self.assertIsInstance(particle, Particle) self.assertIsNone(particle.uid) self.assertEqual( particle.coordinates, (index, index*10, index*100)) compare_data_containers( particle.data, create_data_container(constant=index), testcase=self)
def test_create_particles(self): particles = create_particles(n=10) self.assertEqual(len(particles), 10) for index, particle in enumerate(particles): self.assertIsInstance(particle, Particle) self.assertIsNone(particle.uid) self.assertEqual(particle.coordinates, (index, index * 10, index * 100)) compare_data_containers(particle.data, create_data_container(constant=index), testcase=self)
def test_create_bonds_with_particles(self): n = 7 particles = create_particles(n=100) for particle in particles: particle.uid = uuid.uuid4() bonds = create_bonds(n=n, particles=particles) uids = set() self.assertEqual(len(bonds), n) for index, bond in enumerate(bonds): self.assertIsInstance(bond, Bond) compare_data_containers( bond.data, create_data_container(constant=index), testcase=self) self.assertEqual(len(bond.particles), n) uids.update(bond.particles) self.assertLessEqual(len(uids), n**2)
def test_create_bonds_with_particles(self): n = 7 particles = create_particles(n=100) for particle in particles: particle.uid = uuid.uuid4() bonds = create_bonds(n=n, particles=particles) uids = set() self.assertEqual(len(bonds), n) for index, bond in enumerate(bonds): self.assertIsInstance(bond, Bond) compare_data_containers(bond.data, create_data_container(constant=index), testcase=self) self.assertEqual(len(bond.particles), n) uids.update(bond.particles) self.assertLessEqual(len(uids), n**2)
def test_exception_when_update_multiple_particles_when_wrong_id(self): # given container = self.container particles = create_particles() # then with self.assertRaises(ValueError): # when container.update_particles(particles) # given particles = create_particles_with_id() # then with self.assertRaises(ValueError): # when container.update_particles(particles)
def setUp(self): self.configurator = MDExampleConfigurator() self.wrapper = LammpsWrapper(use_internal_interface=True) self.configurator.configure_wrapper(self.wrapper) # Instead of calling CheckManipulatingParticles.setUp(self), we do the # same steps and also ensure the created particles have a data with # correct attributes (and values) for MD. Specifically, we use # a correct material uid. self.addTypeEqualityFunc( Particle, partial(compare_particles, testcase=self)) self.particle_list = create_particles(restrict=self.supported_cuba()) material = self.configurator.materials[0] for p in self.particle_list: p.data[CUBA.MATERIAL_TYPE] = material.uid self.container = self.container_factory('foo') self.ids = self.container.add(self.particle_list)