class TestStructureContainer(unittest.TestCase):
def setUp(self):
self.lattice_constant = 3.5
self.file_location = os.path.dirname(os.path.abspath(__file__))
self.project = Project(
os.path.join(self.file_location, 'structure_testing'))
self.basis = self.project.create_structure(
element="Fe",
bravais_basis='fcc',
lattice_constant=self.lattice_constant)
self.structure_container = self.project.create_job(
self.project.job_type.StructureContainer, "structure_container")
self.structure_container.structure = self.basis
@classmethod
def tearDownClass(cls):
file_location = os.path.dirname(os.path.abspath(__file__))
project = Project(os.path.join(file_location, 'structure_testing'))
ham = project.load(project.get_job_ids()[0])
ham.remove()
project.remove(enable=True)
def test_container(self):
structure_container = self.project.load(self.project.get_job_ids()[0])
self.assertEqual(structure_container.job_id,
self.project.get_job_ids()[0])
self.assertEqual(structure_container.job_name, 'structure_container')
self.assertTrue('atomistics/job/structure_testing/' in
structure_container.project_hdf5.project_path)
self.assertTrue(structure_container.status.finished)
self.assertEqual(structure_container.structure, self.basis)
def tearDownClass(cls):
project = Project(
os.path.join(os.path.dirname(os.path.abspath(__file__)),
'random_testing'))
ham = project.load(project.get_job_ids()[0])
ham.remove()
project.remove(enable=True)
def tearDownClass(cls):
file_location = os.path.dirname(os.path.abspath(__file__))
project = Project(os.path.join(file_location, 'structure_testing'))
ham = project.load(project.get_job_ids()[0])
ham.remove()
project.remove(enable=True)