fix after data structure change

Author: lars-petter-hauge

backend/src/acidwatch_api/routes/sweeps.py

@@ -16,11 +16,13 @@
     Conditions,
     CreateSweep,
     ModelInput,
+    Phase,
     SweepPoint,
     SweepResult,
 )
 from acidwatch_api.routes.models import (
     AdapterSet,
+    _phases_to_concentrations,
     build_adapters,
     build_model_input_rows,
     get_adapters,
@@ -52,7 +54,10 @@ def _summarize_point(
 
     final_result = ordered[-1][1]
     assert final_result is not None
-    return "done", final_result.concentrations, None
+    concentrations = _phases_to_concentrations(
+        [Phase(**p) for p in final_result.phases]
+    )
+    return "done", concentrations, None
 
 
 @router.post("/sweeps")
@@ -109,7 +114,7 @@ async def run_sweep(
         session.add(
             db.Simulation(
                 owner_id=UUID(user.id) if user else None,
-                concentrations=point_concentrations,
+                phases=[{"kind": "co2-rich", "fraction": 1.0, "concentrations": point_concentrations}],
                 conditions=create_sweep.conditions.model_dump(),
                 sweep=sweep,
                 sweep_value_index=index,
@@ -201,7 +206,9 @@ def get_sweep_result(
             ModelInput(model_id=mi.model_id, parameters=mi.parameters)
             for mi, _ in order_chain(rows_by_simulation.get(first_simulation.id, []))
         ]
-        base_concentrations = dict(first_simulation.concentrations or {})
+        base_concentrations = _phases_to_concentrations(
+            [Phase(**p) for p in (first_simulation.phases or [])]
+        )
         conditions = Conditions(**(first_simulation.conditions or {}))
     else:
         models = []

backend/tests/test_sweeps_endpoint.py

@@ -5,6 +5,7 @@
 from acidwatch_api.app import fastapi_app
 from acidwatch_api.authentication import authenticated_user_claims
 from acidwatch_api.models import base
+from acidwatch_api.models.datamodel import Phase
 from acidwatch_api.routes.models import get_adapters
 
 
@@ -38,7 +39,13 @@ class HalvingAdapter(base.BaseAdapter):
     valid_substances = ["H2O"]
 
     async def run(self):
-        return {key: value / 2 for key, value in self.concentrations.items()}
+        return [
+            Phase(
+                kind="co2-rich",
+                fraction=1.0,
+                concentrations={key: value / 2 for key, value in self.concentrations.items()},
+            )
+        ]
 
 
 class QuadruplingAdapter(base.BaseAdapter):
@@ -49,7 +56,13 @@ class QuadruplingAdapter(base.BaseAdapter):
     valid_substances = ["H2O"]
 
     async def run(self):
-        return {key: value * 4 for key, value in self.concentrations.items()}
+        return [
+            Phase(
+                kind="co2-rich",
+                fraction=1.0,
+                concentrations={key: value * 4 for key, value in self.concentrations.items()},
+            )
+        ]
 
 
 class FailingAdapter(base.BaseAdapter):
@@ -117,7 +130,13 @@ def test_sweep_points_are_individually_retrievable_simulations(client):
 
     assert simulation["status"] == "done"
     assert simulation["input"]["concentrations"] == {"H2O": point["value"]}
-    assert simulation["results"][-1]["concentrations"] == point["concentrations"]
+    last_result_concentrations = {
+        k: v
+        for phase in simulation["results"][-1]["phases"]
+        if phase["kind"] == "co2-rich"
+        for k, v in phase["concentrations"].items()
+    }
+    assert last_result_concentrations == point["concentrations"]
 
 
 @pytest.mark.usefixtures("dummy_adapters")