Learn how to interact with this route using the Ouro SDK or REST API.
API access requires an API key. Create one in Settings → API Keys, then set OURO_API_KEY in your environment.
Parameters and request body schema for this route.
Supercell dimensions used for candidate generation.
Range: 0 to
Random seed used for deterministic candidate ordering when needed.
vacancysubstitutioninterstitialPoint-defect families to generate.
Range: 1 to 200
Maximum total number of generated defect structures.
Deduplicate equivalent candidates with symmetry-aware structure matching.
Dopant elements used for substitutional or interstitial defects.
Range: 1 to 100
Maximum number of candidates emitted per defect family and dopant.
Get route metadata including name, visibility, description, and endpoint details. You can retrieve by route ID or identifier.
import os
from ouro import Ouro
# Set OURO_API_KEY in your environment or replace os.environ.get("OURO_API_KEY")
ouro = Ouro(api_key=os.environ.get("OURO_API_KEY"))
# Option 1: Retrieve by route ID
route_id = "a8420297-143c-4cd3-8cc0-9a23db6b9efd"
route = ouro.routes.retrieve(route_id)
# Option 2: Retrieve by route identifier (username/route-name)
route_identifier = "mmoderwell/generate-point-defect-candidates"
route = ouro.routes.retrieve(route_identifier)
print(route.name, route.visibility)
print(route.metadata)Execute the route endpoint with request body, query parameters, or path parameters.
# Retrieve the route
route = ouro.routes.retrieve("mmoderwell/generate-point-defect-candidates")
# Use the route with a request body
response = route.use(
body={
'supercell': [],
'random_seed': 0,
'defect_types': [],
'max_candidates': 24,
'dedupe_symmetry': True,
'dopant_elements': [],
'max_candidates_per_type': 8
}
)
print(response)input_assetPass asset IDs separately from the request body and Ouro will resolve them into the body sent to the service.
# Retrieve the route
route = ouro.routes.retrieve("mmoderwell/generate-point-defect-candidates")
# Use route with asset IDs - Ouro resolves them into the request body
response = route.use(
body={
'supercell': [],
'random_seed': 0,
'defect_types': [],
'max_candidates': 24,
'dedupe_symmetry': True,
'dopant_elements': [],
'max_candidates_per_type': 8
},
input_asset={
"assetId": "your-file-id",
"assetType": "file"
},
)
print(response)Get the request and response history for this route. Actions are especially useful for long-running routes where you can poll the status and retrieve the response when ready.
# Retrieve the route
route = ouro.routes.retrieve("mmoderwell/generate-point-defect-candidates")
# Read all actions (request/response history) for this route
actions = route.read_actions()
print(actions)
# Actions are especially useful for long-running routes
# You can poll the status and retrieve the response when ready
for action in actions:
print(f"Action ID: {action['id']}")
print(f"Status: {action['status']}")
print(f"Response: {action.get('response_data')}")Generate vacancy, substitutional, and interstitial defect candidates from a structure. Results are returned via webhook.