Add an option to turn off 3D classification into Session parameters (#684)

Author: stephen-riggs

src/murfey/server/api/instrument.py

@@ -233,6 +233,7 @@ class ProvidedProcessingParameters(BaseModel):
     particle_diameter: Optional[float] = None
     symmetry: str = "C1"
     eer_fractionation: int = 20
+    run_class3d: bool = True
 
 
 @router.post("/sessions/{session_id}/provided_processing_parameters")
@@ -241,13 +242,26 @@ async def pass_proc_params_to_instrument_server(
 ):
     session = db.exec(select(Session).where(Session.id == session_id)).one()
 
-    session_processing_parameters = SessionProcessingParameters(
-        session_id=session_id,
-        dose_per_frame=proc_params.dose_per_frame,
-        gain_ref=session.current_gain_ref,
-        symmetry=proc_params.symmetry,
-        eer_fractionation=proc_params.eer_fractionation,
-    )
+    existing_parameters = db.exec(
+        select(SessionProcessingParameters).where(
+            SessionProcessingParameters.session_id == session_id
+        )
+    ).all()
+    if not existing_parameters:
+        session_processing_parameters = SessionProcessingParameters(
+            session_id=session_id,
+            dose_per_frame=proc_params.dose_per_frame,
+            gain_ref=session.current_gain_ref,
+            symmetry=proc_params.symmetry,
+            eer_fractionation=proc_params.eer_fractionation,
+            run_class3d=proc_params.run_class3d,
+        )
+    else:
+        session_processing_parameters = existing_parameters[0]
+        session_processing_parameters.dose_per_frame = proc_params.dose_per_frame
+        session_processing_parameters.eer_fractionation = proc_params.eer_fractionation
+        session_processing_parameters.symmetry = proc_params.symmetry
+        session_processing_parameters.run_class3d = proc_params.run_class3d
     db.add(session_processing_parameters)
     db.commit()
 

src/murfey/server/api/processing_parameters.py

@@ -27,6 +27,7 @@ class EditableSessionProcessingParameters(BaseModel):
     dose_per_frame: Optional[float] = None
     eer_fractionation_file: str = ""
     symmetry: str = ""
+    run_class3d: Optional[bool] = None
 
 
 @router.get("/sessions/{session_id}/session_processing_parameters")
@@ -46,6 +47,7 @@ def get_session_processing_parameters(
         dose_per_frame=proc_params.dose_per_frame,
         eer_fractionation_file=proc_params.eer_fractionation_file,
         symmetry=proc_params.symmetry,
+        run_class3d=proc_params.run_class3d,
     )
 
 
@@ -68,6 +70,8 @@ def set_session_processing_parameters(
         edited_parameters.eer_fractionation_file or proc_params.eer_fractionation_file
     )
     proc_params.symmetry = edited_parameters.symmetry or proc_params.symmetry
+    if edited_parameters.run_class3d is not None:
+        proc_params.run_class3d = edited_parameters.run_class3d
     db.add(proc_params)
     db.commit()
     db.close()

src/murfey/server/feedback.py

@@ -2400,7 +2400,16 @@ def feedback_callback(header: dict, message: dict, _db=murfey_db) -> None:
                 murfey.server._transport_object.transport.ack(header)
             return None
         elif message["register"] == "run_class3d":
-            _register_3d_batch(message, _db)
+            session_processing_parameters = _db.exec(
+                select(db.SessionProcessingParameters).where(
+                    db.SessionProcessingParameters.session_id == message["session_id"]
+                )
+            ).all()
+            if (
+                not session_processing_parameters
+                or session_processing_parameters[0].run_class3d
+            ):
+                _register_3d_batch(message, _db)
             if murfey.server._transport_object:
                 murfey.server._transport_object.transport.ack(header)
             return None

src/murfey/util/db.py

@@ -341,6 +341,7 @@ class SessionProcessingParameters(SQLModel, table=True):  # type: ignore
     eer_fractionation: int = 20
     eer_fractionation_file: str = ""
     symmetry: str = "C1"
+    run_class3d: bool = True
     session: Optional[Session] = Relationship(
         back_populates="session_processing_parameters"
     )