How to run this route from Python with the Ouro SDK.
API access requires an API key. Create one in Settings → API Keys, then set OURO_API_KEY in your environment. Install the SDK with pip install ouro-py.
POST /smact/screenParameters and request body schema for this route.
Optional allowed positive stoichiometric ratios for each element.
Distinct element symbols, e.g. ['Cs', 'Pb', 'I'].
Range: 1 to 8
Maximum stoichiometric coefficient when stoichs is omitted.
formulacomposition_dictdefaultOutput representation: formulas, composition dictionaries, or raw tuples.
Keep oxidation-state-specific candidates when true.
smact14icsd16icsd24pymatgen_spwikiBuilt-in SMACT oxidation-state table.
execute returns an action: the record of this run, with its status, response, and any assets it created.
To avoid blocking on a slow run, start it without waiting and collect the result later.
By default a failed run comes back as an action with status error. Pass raise_on_error=True to raise an exception instead.
Every run is saved as an action. List yours, or read the logs of a single run. See the Python SDK reference for everything an action carries.
import os
from ouro import Ouro
ouro = Ouro(api_key=os.environ.get("OURO_API_KEY"))
# The ID also works, and stays the same if the route is renamed: "2e928b1a-93ad-4b98-a122-6d0280a1f81b"
route = ouro.routes.retrieve("apollo/screen-compositions-with-smact")
action = route.execute(
body={
"elements": [],
},
)
print(action.status) # "success" or "error"
print(action.final_data)# Returns as soon as the run is accepted
action = route.execute(
body={
"elements": [],
},
wait=False,
)
print(action.id, action.status)
# Later, even from another process
action = ouro.routes.poll_action(str(action.id), poll_interval=5, timeout=1800)
print(action.final_data)from ouro import ExternalServiceError, RouteExecutionError
try:
action = route.execute(
body={
"elements": [],
},
raise_on_error=True,
)
except ExternalServiceError as exc:
# The API behind this route failed
print(exc.status_code, exc.retryable)
except RouteExecutionError as exc:
print(exc.action_id, exc.status, exc.response)
except TimeoutError as exc:
# Still running on Ouro; pick it up again later
action = ouro.routes.poll_action(exc.action_id, timeout=None)route = ouro.routes.retrieve("apollo/screen-compositions-with-smact")
# Your runs of this route
actions = route.read_actions()
for action in actions:
print(action.id, action.status, action.created_at)
# One run and its logs
action = ouro.routes.retrieve_action("your-action-id")
for entry in action.read_logs(chronological=True):
print(entry.level, entry.message)Part of service
SMACT Composition Screening
Enumerate rule-based candidate compositions for an element system.
Davies et al. · Journal of Open Source Software · 2022
Execution
Usage
36 callsView history