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: "d040d3b6-faad-40cf-9d7c-999a5c769ed8"
route = ouro.routes.retrieve("mmoderwell/relax-a-crystal-structure")
 
action = route.execute(
    body={
        "fmax": 0.02,
        "model": "orb-v3-conservative-inf-mpa",
        "max_steps": 400,
        "optimize_cell": True,
        "preserve_symmetry": False,
        "include_trajectory": False,
        "bypass_cif_health_screen": False,
    },
    input_assets={
        "structure": "your-file-id",
    },
)
 
print(action.status)  # "success" or "error"
print(action.final_data)
 
# Assets the run created are keyed by output name
file = action.final_data["file"]
print(file["id"])

# Returns as soon as the run is accepted
action = route.execute(
    body={
        "fmax": 0.02,
        "model": "orb-v3-conservative-inf-mpa",
        "max_steps": 400,
        "optimize_cell": True,
        "preserve_symmetry": False,
        "include_trajectory": False,
        "bypass_cif_health_screen": False,
    },
    input_assets={
        "structure": "your-file-id",
    },
    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={
            "fmax": 0.02,
            "model": "orb-v3-conservative-inf-mpa",
            "max_steps": 400,
            "optimize_cell": True,
            "preserve_symmetry": False,
            "include_trajectory": False,
            "bypass_cif_health_screen": False,
        },
        input_assets={
            "structure": "your-file-id",
        },
        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("mmoderwell/relax-a-crystal-structure")
 
# 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)