CLEM workflow fix

src/murfey/instrument_server/api.py

@@ -141,8 +141,16 @@
 def setup_multigrid_watcher(
     session_id: MurfeySessionID, watcher_spec: MultigridWatcherSpec
 ):
+    # Return True if controllers are already set up
     if controllers.get(session_id) is not None:
         return {"success": True}
+
+    # Load machine config as dictionary
+    machine_config: dict[str, Any] = requests.get(
+        f"{_get_murfey_url()}/instruments/{sanitise_nonpath(watcher_spec.instrument_name)}/machine",
+        headers={"Authorization": f"Bearer {tokens[session_id]}"},
+    ).json()
+
     label = watcher_spec.label
     for sid, controller in controllers.items():
         if controller.dormant:
@@ -156,22 +164,19 @@
         demo=True,
         do_transfer=True,
         processing_enabled=not watcher_spec.skip_existing_processing,
-        _machine_config=watcher_spec.configuration.dict(),
+        _machine_config=machine_config,
         token=tokens.get(session_id, "token"),
         data_collection_parameters=data_collection_parameters.get(label, {}),
         rsync_restarts=watcher_spec.rsync_restarts,
         visit_end_time=watcher_spec.visit_end_time,
     )
     watcher_spec.source.mkdir(exist_ok=True)
-    machine_config = requests.get(
-        f"{_get_murfey_url()}/instruments/{sanitise_nonpath(watcher_spec.instrument_name)}/machine",
-        headers={"Authorization": f"Bearer {tokens[session_id]}"},
-    ).json()
+
     for d in machine_config.get("create_directories", []):
         (watcher_spec.source / d).mkdir(exist_ok=True)
     watchers[session_id] = MultigridDirWatcher(
         watcher_spec.source,
-        watcher_spec.configuration.dict(),
+        machine_config,
         skip_existing_processing=watcher_spec.skip_existing_processing,
     )
     watchers[session_id].subscribe(

src/murfey/server/api/instrument.py

@@ -106,22 +106,13 @@ async def setup_multigrid_watcher(
     if machine_config.instrument_server_url:
         session = db.exec(select(Session).where(Session.id == session_id)).one()
         visit = session.visit
-        _config = {
-            "acquisition_software": machine_config.acquisition_software,
-            "calibrations": machine_config.calibrations,
-            "data_directories": [str(k) for k in machine_config.data_directories],
-            "create_directories": [str(k) for k in machine_config.create_directories],
-            "rsync_basepath": str(machine_config.rsync_basepath),
-            "visit": visit,
-            "default_model": str(machine_config.default_model),
-        }
+
         async with aiohttp.ClientSession() as clientsession:
             async with clientsession.post(
                 f"{machine_config.instrument_server_url}/sessions/{session_id}/multigrid_watcher",
                 json={
                     "source": str(secure_path(watcher_spec.source / visit)),
                     "visit": visit,
-                    "configuration": _config,
                     "label": visit,
                     "instrument_name": instrument_name,
                     "skip_existing_processing": watcher_spec.skip_existing_processing,

src/murfey/util/config.py

@@ -4,46 +4,62 @@
 import socket
 from functools import lru_cache
 from pathlib import Path
-from typing import Dict, List, Literal, Optional, Union
+from typing import Literal, Optional, Union
 
 import yaml
 from backports.entry_points_selectable import entry_points
 from pydantic import BaseModel, BaseSettings, Extra, validator
 
 
-class MachineConfig(BaseModel, extra=Extra.allow):  # type: ignore
-    acquisition_software: List[str]
-    calibrations: Dict[str, Dict[str, Union[dict, float]]]
-    data_directories: List[Path]
-    rsync_basepath: Path
-    default_model: Path
+class MachineConfig(BaseModel):  # type: ignore
+    """
+    Keys that describe the type of workflow conducted on the client side, and how
+    Murfey will handle its data transfer and processing
+    """
+
+    # General info --------------------------------------------------------------------
     display_name: str = ""
     instrument_name: str = ""
     image_path: Optional[Path] = None
-    software_versions: Dict[str, str] = {}
-    external_executables: Dict[str, str] = {}
-    external_executables_eer: Dict[str, str] = {}
-    external_environment: Dict[str, str] = {}
-    rsync_module: str = ""
+    machine_override: str = ""
+
+    # Hardware and software -----------------------------------------------------------
+    camera: str = "FALCON"
+    superres: bool = False
+    calibrations: dict[str, dict[str, Union[dict, float]]]
+    acquisition_software: list[str]
+    software_versions: dict[str, str] = {}
+    software_settings_output_directories: dict[str, list[str]] = {}
+    data_required_substrings: dict[str, dict[str, list[str]]] = {}
+
+    # Client side directory setup -----------------------------------------------------
+    data_directories: list[Path]
     create_directories: list[str] = ["atlas"]
-    analyse_created_directories: List[str] = []
+    analyse_created_directories: list[str] = []
     gain_reference_directory: Optional[Path] = None
     eer_fractionation_file_template: str = ""
-    processed_directory_name: str = "processed"
-    gain_directory_name: str = "processing"
-    node_creator_queue: str = "node_creator"
-    superres: bool = False
-    camera: str = "FALCON"
-    data_required_substrings: Dict[str, Dict[str, List[str]]] = {}
-    allow_removal: bool = False
+
+    # Data transfer setup -------------------------------------------------------------
+    # Rsync setup
     data_transfer_enabled: bool = True
+    rsync_url: str = ""
+    rsync_module: str = ""
+    rsync_basepath: Path
+    allow_removal: bool = False
+
+    # Upstream data download setup
+    upstream_data_directories: list[Path] = []  # Previous sessions
+    upstream_data_download_directory: Optional[Path] = None  # Set by microscope config
+    upstream_data_tiff_locations: list[str] = ["processed"]  # Location of CLEM TIFFs
+
+    # Data processing setup -----------------------------------------------------------
+    # General processing setup
     processing_enabled: bool = True
-    machine_override: str = ""
-    processed_extra_directory: str = ""
-    plugin_packages: Dict[str, Path] = {}
-    software_settings_output_directories: Dict[str, List[str]] = {}
     process_by_default: bool = True
-    recipes: Dict[str, str] = {
+    gain_directory_name: str = "processing"
+    processed_directory_name: str = "processed"
+    processed_extra_directory: str = ""
+    recipes: dict[str, str] = {
         "em-spa-bfactor": "em-spa-bfactor",
         "em-spa-class2d": "em-spa-class2d",
         "em-spa-class3d": "em-spa-class3d",
@@ -53,26 +69,41 @@ class MachineConfig(BaseModel, extra=Extra.allow):  # type: ignore
         "em-tomo-align": "em-tomo-align",
     }
 
-    # Find and download upstream directories
-    upstream_data_directories: List[Path] = []  # Previous sessions
-    upstream_data_download_directory: Optional[Path] = None  # Set by microscope config
-    upstream_data_tiff_locations: List[str] = ["processed"]  # Location of CLEM TIFFs
-
+    # Particle picking setup
+    default_model: Path
     model_search_directory: str = "processing"
     initial_model_search_directory: str = "processing/initial_model"
 
-    failure_queue: str = ""
-    instrument_server_url: str = "http://localhost:8001"
-    frontend_url: str = "http://localhost:3000"
-    murfey_url: str = "http://localhost:8000"
-    rsync_url: str = ""
+    # Data analysis plugins
+    external_executables: dict[str, str] = {}
+    external_executables_eer: dict[str, str] = {}
+    external_environment: dict[str, str] = {}
+    plugin_packages: dict[str, Path] = {}
 
+    # Server and network setup --------------------------------------------------------
+    # Configurations and URLs
     security_configuration_path: Optional[Path] = None
+    murfey_url: str = "http://localhost:8000"
+    frontend_url: str = "http://localhost:3000"
+    instrument_server_url: str = "http://localhost:8001"
 
+    # Messaging queues
+    failure_queue: str = ""
+    node_creator_queue: str = "node_creator"
     notifications_queue: str = "pato_notification"
 
+    class Config:
+        """
+        Inner class that defines this model's parsing and serialising behaviour
+        """
 
-def from_file(config_file_path: Path, instrument: str = "") -> Dict[str, MachineConfig]:
+        extra = Extra.allow
+        json_encoders = {
+            Path: str,
+        }
+
+
+def from_file(config_file_path: Path, instrument: str = "") -> dict[str, MachineConfig]:
     with open(config_file_path, "r") as config_stream:
         config = yaml.safe_load(config_stream)
     return {
@@ -83,22 +114,36 @@ def from_file(config_file_path: Path, instrument: str = "") -> Dict[str, Machine
 
 
 class Security(BaseModel):
+    # Murfey database settings
     murfey_db_credentials: Path
     crypto_key: str
-    auth_key: str = ""
+    sqlalchemy_pooling: bool = True
+
+    # ISPyB settings
+    ispyb_credentials: Optional[Path] = None
+
+    # Murfey server connection settings
     auth_algorithm: str = ""
+    auth_key: str = ""
+    auth_type: Literal["password", "cookie"] = "password"
     auth_url: str = ""
-    sqlalchemy_pooling: bool = True
-    allow_origins: List[str] = ["*"]
+    cookie_key: str = ""
     session_validation: str = ""
     session_token_timeout: Optional[int] = None
-    auth_type: Literal["password", "cookie"] = "password"
-    cookie_key: str = ""
+    allow_origins: list[str] = ["*"]
+
+    # RabbitMQ settings
     rabbitmq_credentials: Path
     feedback_queue: str = "murfey_feedback"
+
+    # Graylog settings
     graylog_host: str = ""
     graylog_port: Optional[int] = None
-    ispyb_credentials: Optional[Path] = None
+
+    class Config:
+        json_encoders = {
+            Path: str,
+        }
 
     @validator("graylog_port")
     def check_port_present_if_host_is(
@@ -158,7 +203,7 @@ def get_security_config() -> Security:
 
 
 @lru_cache(maxsize=1)
-def get_machine_config(instrument_name: str = "") -> Dict[str, MachineConfig]:
+def get_machine_config(instrument_name: str = "") -> dict[str, MachineConfig]:
     machine_config = {
         "": MachineConfig(
             acquisition_software=[],

src/murfey/util/instrument_models.py

@@ -4,12 +4,9 @@
 
 from pydantic import BaseModel
 
-from murfey.util.config import MachineConfig
-
 
 class MultigridWatcherSpec(BaseModel):
     source: Path
-    configuration: MachineConfig
     label: str
     visit: str
     instrument_name: str