def test_restart_info(self): ri = abinit_tasks.RestartInfo("/path/to/dir", reset=False, num_restarts=4) self.assertMSONable(ri) ri.prev_indir ri.prev_outdir
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)