def test_ScfFireTask(self):
task = abinit_tasks.ScfFWTask(self.si_scf_input)
task.to_dict()
self.assertFwSerializable(task)
task = abinit_tasks.ScfFWTask(self.si_scf_factory)
task.to_dict()
self.assertFwSerializable(task)
def test_generic_error(self, report):
scf_task = abinit_tasks.ScfFWTask(self.si_scf_input)
report.return_value = mock_objects.report_AbinitError()
fake_spec = {'test': 1}
with self.assertRaises(abinit_tasks.AbinitRuntimeError):
# set the returncode to avoid logging problems
scf_task.returncode = 10
scf_task.task_analysis(fake_spec)
def test_no_report_no_err(self, report):
scf_task = abinit_tasks.ScfFWTask(self.si_scf_input)
scf_task.set_workdir(os.getcwd())
report.return_value = None
fake_spec = {'test': 1}
with self.assertRaises(abinit_tasks.AbinitRuntimeError):
# set the returncode to avoid logging problems
scf_task.returncode = 10
scf_task.task_analysis(fake_spec)
def test_scf_unconverged(self, report):
scf_task = abinit_tasks.ScfFWTask(self.si_scf_input)
ftm_path = os.path.join(test_dir, "fw_manager_ok.yaml")
scf_task.ftm = abiflows.fireworks.utils.fw_utils.FWTaskManager.from_file(ftm_path)
report.return_value = mock_objects.report_ScfConvergenceWarning()
with mock.patch.object(abinit_tasks.AbiFireTask, 'prepare_restart',
return_value=(False, mock_objects.fake_fw, {})) as pr:
fake_spec = {'test': 1}
action = scf_task.task_analysis(fake_spec)
pr.assert_called_once_with(fake_spec)
self.assertIsInstance(action, FWAction)
scf_task.restart_info = abinit_tasks.RestartInfo(
previous_dir='.', num_restarts=scf_task.ftm.fw_policy.max_restarts)
with self.assertRaises(abinit_tasks.UnconvergedError):
scf_task.task_analysis(fake_spec)
def test_abinit_runtime_error(self, report):
err = abinit_tasks.AbinitRuntimeError(msg="test error", num_errors=5)
err.to_dict()
new_err = abinit_tasks.AbinitRuntimeError.from_dict(err.as_dict())
scf_task = abinit_tasks.ScfFWTask(self.si_scf_input)
report.return_value = mock_objects.report_AbinitError()
fake_spec = {'test': 1}
try:
# set the returncode to avoid logging problems
scf_task.returncode = 10
scf_task.task_analysis(fake_spec)
except abinit_tasks.AbinitRuntimeError as e:
e.to_dict()
assert e.num_errors == 1