def test_Chemical_Element_to_and_from_hdf_with_None_Parent(self):
pr = Project(
os.path.join(os.path.dirname(os.path.abspath(__file__)),
"test_periodic_table"))
basis = CrystalStructure(element="Ni",
bravais_basis="fcc",
lattice_constant=3.7)
ham = pr.create_job(pr.job_type.Lammps, "lammps_test_2")
test_ham = pr.create_job(pr.job_type.Lammps, "lammps_test_2")
ham.structure = basis
ham.to_hdf()
test_ham.from_hdf()
self.assertEqual(test_ham["input/structure/species"][0],
ham["input/structure/species"][0])
ham.remove()
def test_Chemical_Element_to_and_from_hdf(self):
ni_up = self.pse.add_element("Ni", "Ni_up", spin="up")
pr = Project(
os.path.join(os.path.dirname(os.path.abspath(__file__)),
'test_periodic_table'))
basis = CrystalStructure(element=ni_up,
bravais_basis='fcc',
lattice_constant=3.7)
ham = pr.create_job(pr.job_type.Lammps, 'lammps_test_1')
test_ham = pr.create_job(pr.job_type.Lammps, 'lammps_test_1')
ham.structure = basis
ham.to_hdf()
test_ham.from_hdf()
self.assertEqual(test_ham['input/structure/species'][0],
ham['input/structure/species'][0])
ham.remove()
class TestGenericJob(unittest.TestCase):
def setUp(self):
self.file_location = os.path.dirname(
os.path.abspath(__file__)).replace('\\', '/')
self.project = Project(
os.path.join(self.file_location, 'test_genericjob'))
@classmethod
def tearDownClass(cls):
file_location = os.path.dirname(os.path.abspath(__file__))
project = Project(os.path.join(file_location, 'test_genericjob'))
project.remove(enable=True)
def test_db_entry(self):
ham = self.project.create_job('ScriptJob', "job_single_debug")
db_entry = ham.db_entry()
self.assertEqual(db_entry['project'], ham.project_hdf5.project_path)
self.assertEqual(db_entry['hamilton'], 'Script')
self.assertEqual(db_entry['hamversion'], ham.version)
self.assertEqual(db_entry['status'], ham.status.string)
self.assertEqual(db_entry['job'], ham.job_name)
ham.save()
ham.remove()
def test_id(self):
pass
def test_parent_id(self):
pass
def test_master_id(self):
pass
def test_child_ids(self):
pass
def test_child_ids_running(self):
pass
def test_child_ids_finished(self):
pass
def test_index(self):
pass
def test_job_name(self):
cwd = self.file_location
ham = self.project.create_job('ScriptJob', "job_single_debug")
self.assertEqual('job_single_debug', ham.job_name)
self.assertEqual('/job_single_debug', ham.project_hdf5.h5_path)
self.assertEqual(cwd + '/test_genericjob/job_single_debug.h5',
ham.project_hdf5.file_name)
ham.job_name = 'job_single_move'
ham.to_hdf()
self.assertEqual('/job_single_move', ham.project_hdf5.h5_path)
self.assertEqual(cwd + '/test_genericjob/job_single_move.h5',
ham.project_hdf5.file_name)
self.assertTrue(os.path.isfile(ham.project_hdf5.file_name))
ham.project_hdf5.remove_file()
self.assertFalse(os.path.isfile(ham.project_hdf5.file_name))
ham = self.project.create_job('ScriptJob', "job_single_debug_2")
ham.to_hdf()
self.assertEqual('job_single_debug_2', ham.job_name)
self.assertEqual('/job_single_debug_2', ham.project_hdf5.h5_path)
self.assertEqual(cwd + '/test_genericjob/job_single_debug_2.h5',
ham.project_hdf5.file_name)
self.assertTrue(os.path.isfile(ham.project_hdf5.file_name))
ham.job_name = 'job_single_move_2'
self.assertEqual('/job_single_move_2', ham.project_hdf5.h5_path)
self.assertEqual(cwd + '/test_genericjob/job_single_move_2.h5',
ham.project_hdf5.file_name)
self.assertTrue(os.path.isfile(ham.project_hdf5.file_name))
ham.project_hdf5.remove_file()
self.assertFalse(
os.path.isfile(cwd + '/test_genericjob/job_single_debug_2.h5'))
self.assertFalse(os.path.isfile(ham.project_hdf5.file_name))
def test_move(self):
pr_a = self.project.open('project_a')
pr_b = self.project.open('project_b')
ham = pr_a.create_job('ScriptJob', "job_moving_easy")
self.assertFalse(ham.project_hdf5.file_exists)
self.assertTrue(
'test_genericjob/project_a/' in ham.project_hdf5.project_path)
self.assertFalse(ham.project_hdf5.file_exists)
ham.move_to(pr_b)
self.assertTrue(
'test_genericjob/project_b/' in ham.project_hdf5.project_path)
ham_2 = pr_a.create_job('ScriptJob', "job_moving_diff")
ham_2.to_hdf()
self.assertTrue(
'test_genericjob/project_a/' in ham_2.project_hdf5.project_path)
ham_2.move_to(pr_b)
self.assertTrue(
'test_genericjob/project_b/' in ham_2.project_hdf5.project_path)
ham_2.project_hdf5.remove_file()
pr_a.remove(enable=True)
pr_b.remove(enable=True)
# def test_sub_job_name(self):
# pass
def test_version(self):
pass
def test_structure(self):
pass
def test_executable(self):
pass
def test_project(self):
pass
def test_hdf5(self):
pass
def test_server(self):
pass
def test_status(self):
pass
def test_job_info_str(self):
pass
def test_write_input(self):
pass
def test_collect_output(self):
pass
def test_collect_logfiles(self):
pass
def test_run(self):
pass
def test_run_if_modal(self):
pass
def test_run_if_non_modal(self):
pass
def test_run_if_manually(self):
pass
def test_run_if_queue(self):
pass
def test_run_if_new(self):
pass
def test_run_if_appended(self):
pass
def test_run_if_created(self):
pass
def test_run_if_submitted(self):
pass
def test_run_if_running(self):
pass
def test_run_if_refresh(self):
pass
def test_run_if_collect(self):
pass
def test_run_if_suspended(self):
pass
def test_run_if_finished(self):
pass
def test_suspend(self):
pass
def test_remove(self):
pass
def test_inspect(self):
pass
def test_load(self):
pass
def test_save(self):
pass
def test_job_file_name(self):
pass
def test_clear_job(self):
pass
def test_rename(self):
pass
def test_rename_nested_job(self):
pass
def test_copy(self):
pass
def test_update_master(self):
pass
def test_to_from_hdf(self):
pass
def test_to_from_hdf_serial(self):
pass
def test_to_from_hdf_childshdf(self):
pass
def test_show_hdf(self):
pass
def test_get_pandas(self):
pass
def test_get_from_table(self):
pass
def test_get(self):
pass
def test_append(self):
pass
def test_pop(self):
pass
def test_iter_childs(self):
pass
def test__check_if_job_exists(self):
pass
def test__runtime(self):
pass
def test__create_working_directory(self):
pass
def test__write_run_wrapper(self):
pass
def test__type_to_hdf(self):
pass
def test__type_from_hdf(self):
pass
def test_childs_to_hdf(self):
pass
def test_childs_from_hdf(self):
pass
def test_open_hdf(self):
pass
def test__check_ham_state(self):
pass