def test_partition(self):
df_name = self.smallfile.rsplit('.', 1)[0]
dataframe = load_dataframe(df_name)
cand, seed = partition_intercomp(dataframe)
self.assertEqual(len(dataframe), len(cand) + len(seed))
cand, seed = partition_intercomp(dataframe, n_elements=1)
self.assertEqual(len(dataframe), len(cand) + len(seed))
self.assertGreater(len(seed), 0)
def test_initialize_and_update(self):
agent_pool = ParameterTable(TEST_AGENT_PARAMS)
dataframe = get_oqmd_data_by_chemsys("Fe-O")
cand, seed = partition_intercomp(dataframe, n_elements=1)
analyzer = StabilityAnalyzer()
experiment = LocalAgentSimulation(
cand, iterations=5,
analyzer=analyzer, seed_data=seed
)
MetaAgentCampaign.reserve(
name="test_meta_agent", experiment=experiment,
agent_pool=agent_pool, analyzer=analyzer
)
self.assertRaises(ValueError, MetaAgentCampaign.reserve,
"test_meta_agent", dataframe, agent_pool, None)
agent_pool, data, analyzer = MetaAgentCampaign.load_pickled_objects(
"test_meta_agent"
)
self.assertEqual(len(agent_pool), 12)
MetaAgentCampaign.update_agent_pool(
"test_meta_agent",
TEST_AGENT_PARAMS
)
agent_pool, _, _ = MetaAgentCampaign.load_pickled_objects(
"test_meta_agent"
)
self.assertEqual(len(agent_pool), 12)
def test_run(self):
with ScratchDir('.'):
dataframe = get_oqmd_data_by_chemsys("Fe-O")
cand, seed = partition_intercomp(dataframe, n_elements=1)
agents_df = pd.DataFrame({"agent": [RandomAgent()]})
simulation = LocalAgentSimulation(
cand, iterations=5, seed_data=seed,
analyzer=StabilityAnalyzer())
simulation.submit(agents_df)
simulation.monitor()
results = simulation.get_results()
self.assertTrue(True)
def test_run(self):
agent_pool = ParameterTable(RANDOM_TEST_AGENT_PARAMS)
# Construct experiment
dataframe = get_oqmd_data_by_chemsys("Fe-O")
cand, seed = partition_intercomp(dataframe, n_elements=1)
experiment = LocalAgentSimulation(
atf_candidate_data=cand, seed_data=seed,
analyzer=StabilityAnalyzer(), iterations=10,
)
analyzer = StabilityCampaignAnalyzer(checkpoint_indices=[2, 5, 10])
MetaAgentCampaign.reserve(
name="test_meta_agent", experiment=experiment,
agent_pool=agent_pool, analyzer=analyzer
)
with ScratchDir('.'):
print("Testing meta agent")
campaign = MetaAgentCampaign.from_reserved_name(
"test_meta_agent", meta_agent=RandomAgent(n_query=1),
)
campaign.autorun()
self.assertTrue(True)