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 /ggen/reportParameters and request body schema for this route.
Chemical system to report
Include stability breakdown
Filter by space group number or symbol
Return stable and near-hull structures
Return structures on hull and dynamically stable
Range: 0 to 2
Energy above hull cutoff in eV/atom
triclinicmonoclinicorthorhombictetragonaltrigonalhexagonalcubicCrystal systems supported by GGen filtering and scoring.
Also save the near-hull phases as an Ouro dataset with a chart (off by default; the list is always in the response)
Also put generated (GGen, Matra-Genoa) structures in space group P1 on the hull. Off by default: they are mostly symmetry-broken leftovers. Published P1 phases are always included.
Include an interactive phase diagram in the report
Runs save these to Ouro. Read them by name from action.final_data.
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.
# Returns as soon as the run is accepted
action = route.execute(
body={
"system": "example_string",
},
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={
"system": "example_string",
},
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)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: "d10241ae-e66b-49a9-b8bf-ca1af66b8803"
route = ouro.routes.retrieve("mmoderwell/generate-a-ggen-system-report")
action = route.execute(
body={
"system": "example_string",
},
)
print(action.status) # "success" or "error"
print(action.final_data)
# Assets the run created are keyed by output name
report = action.final_data["report"]
print(report["id"])route = ouro.routes.retrieve("mmoderwell/generate-a-ggen-system-report")
# 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
GGen
Report the best structures known for a chemical system across the whole GGen database, published and generated alike. Where an exploration reports what a single run produced, this reports the current state of a system: its hull, how much of it comes from published data versus GGen, which phases are new, and CIFs for the leading candidates. Set include_dataset to also save the near-hull phases as a dataset charted by distance to the hull.
Execution
Usage
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