Feat/job settings endpoint

amorphouspy_api/src/amorphouspy_api/mcp_server.py

@@ -28,8 +28,9 @@
 1. `submit_job` — submit a simulation (returns job ID + URLs).
 2. `get_job_status` — poll until status is "completed".
 3. `get_job_results` — retrieve analysis data.
-4. `search_jobs` — find existing results for similar compositions.
-5. `list_glasses` / `lookup_glass` — browse available compositions.
+4. `get_job_settings` — inspect the original submission parameters.
+5. `search_jobs` — find existing results for similar compositions.
+6. `list_glasses` / `lookup_glass` — browse available compositions.
 """
 
 mcp = FastMCP(
@@ -51,6 +52,7 @@ def register_tools() -> None:
     from amorphouspy_api.routers.jobs import (
         cancel_job,
         get_job_results,
+        get_job_settings,
         get_job_status,
         get_single_result,
         search_jobs,
@@ -62,6 +64,7 @@ def register_tools() -> None:
         search_jobs,
         get_job_status,
         cancel_job,
+        get_job_settings,
         get_job_results,
         get_single_result,
         list_glasses,

amorphouspy_api/src/amorphouspy_api/models.py

@@ -487,6 +487,16 @@ class JobStatusResponse(BaseModel):
     )
 
 
+class JobSettingsResponse(BaseModel):
+    """Response for ``GET /jobs/{id}/settings``."""
+
+    job_id: str
+    settings: dict = Field(
+        ...,
+        description="Original submission parameters (composition, potential, simulation, analyses, electrostatics, tags).",
+    )
+
+
 class JobResultsResponse(BaseModel):
     """Response for ``GET /jobs/{id}/results``."""
 

amorphouspy_api/src/amorphouspy_api/routers/jobs.py

@@ -12,6 +12,7 @@
   POST /jobs:search   - search jobs across all statuses
   GET  /jobs/{id}     - poll job status
   POST /jobs/{id}:cancel - cancel a running job
+  GET  /jobs/{id}/settings          - original submission settings
   GET  /jobs/{id}/results            - all analysis results
   GET  /jobs/{id}/results/{analysis} - single analysis result
   GET  /jobs/{id}/structure          - export quenched structure
@@ -40,6 +41,7 @@
     JobSearchMatch,
     JobSearchRequest,
     JobSearchResponse,
+    JobSettingsResponse,
     JobStatus,
     JobStatusResponse,
     JobSubmission,
@@ -379,6 +381,23 @@ def update_tags(job_id: str, body: TagsUpdate) -> TagsResponse:
     return TagsResponse(job_id=job_id, tags=sorted(set(body.tags)))
 
 
+@router.get("/{job_id}/settings", response_model=JobSettingsResponse)
+def get_job_settings(job_id: str) -> JobSettingsResponse:
+    """Return the original submission settings for a job."""
+    store = get_job_store()
+    job = store.get_job(job_id)
+    if not job:
+        raise HTTPException(status_code=404, detail="Job not found")
+
+    if not job.request_data:
+        raise HTTPException(status_code=404, detail="No settings stored for this job")
+
+    return JobSettingsResponse(
+        job_id=job.job_id,
+        settings=job.request_data,
+    )
+
+
 @router.get("/{job_id}/results", response_model=JobResultsResponse)
 def get_job_results(job_id: str) -> JobResultsResponse:
     """All completed analysis results for a job."""

amorphouspy_api/src/tests/test_jobs.py

@@ -309,6 +309,42 @@ def test_get_results_no_data() -> None:
     assert resp.status_code == 404
 
 
+# ---------------------------------------------------------------------------
+# GET /jobs/{id}/settings
+# ---------------------------------------------------------------------------
+
+
+def test_get_settings_completed() -> None:
+    _insert_completed_job("j-settings-1")
+
+    resp = client.get("/jobs/j-settings-1/settings")
+    assert resp.status_code == 200
+    data = resp.json()
+    assert data["job_id"] == "j-settings-1"
+    assert "composition" in data["settings"]
+    assert "potential" in data["settings"]
+
+
+def test_get_settings_not_found() -> None:
+    resp = client.get("/jobs/nonexistent/settings")
+    assert resp.status_code == 404
+
+
+def test_get_settings_no_request_data() -> None:
+    store = get_job_store()
+    store.create_job(
+        Job(
+            job_id="j-no-settings",
+            request_hash="nosettings",
+            composition="SiO2 100",
+            potential="pmmcs",
+            status="completed",
+        )
+    )
+    resp = client.get("/jobs/j-no-settings/settings")
+    assert resp.status_code == 404
+
+
 # ---------------------------------------------------------------------------
 # GET /jobs/{id}/results/{analysis}
 # ---------------------------------------------------------------------------