def test_get_latest_chemsys(self):
self.submit_chemsyses(["O-V", "O-Ti", "Fe-O"])
worker = Worker("oqmd-atf")
latest_chemsys = worker.get_latest_chemsys()
self.assertEqual(latest_chemsys, "Fe-O")
self.put_runs(["Fe-O"])
latest_chemsys = worker.get_latest_chemsys()
self.assertEqual(latest_chemsys, "O-Ti")
self.put_runs(["O-V", "O-Ti"])
latest_chemsys = worker.get_latest_chemsys()
self.assertIsNone(latest_chemsys)
def test_run_atf_campaign(self):
self.submit_chemsyses(["O-Ti", "Fe-O"])
worker = Worker("oqmd-atf")
latest_chemsys = worker.get_latest_chemsys()
self.assertEqual(latest_chemsys, "Fe-O")
worker.start(num_loops=1)
latest_chemsys = worker.get_latest_chemsys()
self.assertEqual(latest_chemsys, "O-Ti")
worker.start(num_loops=1)
latest_chemsys = worker.get_latest_chemsys()
self.assertIsNone(latest_chemsys)
def worker_process(index):
if index == 0:
print("index 0")
worker = Worker("oqmd-atf")
latest = worker.get_latest_chemsys()
result = worker.start(sleep_time=7)
print("returning {} {}".format(result, latest))
return result
else:
time.sleep(3)
worker = Worker("oqmd-atf")
print("writing stop file")
worker.write_stop_file()
return None
def test_stop(self):
# Stopping a-priori
worker = Worker("oqmd-atf")
worker.write_stop_file()
executed = worker.start()
self.assertEqual(executed, 0)
# # Ensure restarts after stop removal
self.submit_chemsyses(["O-Ti", "Fe-O"])
worker = Worker("oqmd-atf")
worker.remove_stop_file()
executed = worker.start(num_loops=2)
self.assertEqual(executed, 2)
# Ensure restarts after stop removal
worker = Worker("oqmd-atf")
worker.remove_stop_file()
# TODO: this is a pretty hackish way of executing
# these in parallel and isn't guaranteed to work,
# but works for now
with Pool(2) as p:
result = p.map(worker_process, [0, 1])
self.assertEquals(result[0], 1)
def tearDown(self):
teardown_s3()
Worker("oqmd-atf").remove_stop_file()