Black format and address quick fixes from review

Author: ianmkenney

alchemiscale/compute/api.py

@@ -468,7 +468,7 @@ def computemanager_get_instruction(
     settings: ComputeAPISettings = Depends(get_base_api_settings),
     token: TokenData = Depends(get_token_data_depends),
 ):
-    scopes = scopes or [Scope.from_str("*-*-*")]
+    scopes = scopes or [Scope.from_str()]
     scopes_reduced = minimize_scope_space(scopes)
     query_scopes = []
     for scope in scopes_reduced:

alchemiscale/compute/manager.py

@@ -63,9 +63,10 @@ def _deregister(self):
 
     def start(self, max_cycles: int | None = None):
         self._register()
+        self._stop = False
         try:
             count = 0
-            while True:
+            while not self._stop:
                 self.cycle()
                 count += 1
                 if max_cycles and count >= max_cycles:
@@ -113,13 +114,10 @@ def cycle(self):
             case ComputeManagerInstruction.SHUTDOWN:
                 shutdown_message = data["message"]
                 self.logger.info(f'Received shutdown message: "{shutdown_message}"')
+                self._stop = True
                 return
         self.client.update_status(
             self.compute_manager_id,
             ComputeManagerStatus.OK,
             saturation=total_services / self.settings.max_compute_services,
         )
-
-    @abstractmethod
-    def create_compute_service(self):
-        raise NotImplementedError

alchemiscale/compute/settings.py

@@ -146,7 +146,8 @@ class ComputeManagerSettings(BaseModel):
         description="Maximum number of compute services the manager is allowed to have running at a time.",
     )
     sleep_interval: int = Field(
-        1800, description="Time in seconds to sleep before requesting another instruction."
+        1800,
+        description="Time in seconds to sleep before requesting another instruction.",
     )
     loglevel: str = Field(
         "WARN",

alchemiscale/models.py

@@ -5,7 +5,6 @@
 """
 
 from typing import Any
-from enum import StrEnum
 from pydantic import BaseModel, field_validator, model_validator, ConfigDict
 from gufe.tokenization import GufeKey
 from re import fullmatch

alchemiscale/storage/models.py

@@ -72,9 +72,8 @@ class ComputeManagerStatus(StrEnum):
 
 class ComputeManagerID(str):
 
-    def __init__(self, value):
-        super().__init__()
-
+    def __init__(self, _value):
+        # don't need to process _value, handled by str.__new__
         parts = self.split("-")
 
         if len(parts) != 6:
@@ -140,7 +139,7 @@ def to_dict(self):
 
     @classmethod
     def from_dict(cls, dct):
-        return cls(**dct_)
+        return cls(**dct)
 
     def to_compute_manager_id(self):
         return ComputeManagerID("-".join([self.manager_name, self.uuid]))

alchemiscale/storage/statestore.py

@@ -1583,37 +1583,37 @@ def get_computemanager_instruction(
     ) -> tuple[ComputeManagerInstruction, dict]:
         """Return an instruction for a compute manager based on the contents of the statestore.
 
-                This method returns one of three instructions along with supporting data:
-
-                1. "OK" with a list of ComputeServiceIDs and the number of available tasks
-                2. "SKIP" with a list of ComputeServiceIDs
-                3. "SHUTDOWN" with an error message
-
-                Parameters
-                ----------
-                compute_manager_id
-                    The compute manager ID string containing the manager_name
-                    and the UUID.
-
-                forgive_time
-                    The time at which a failure from a compute service is
-                    considered forgiven.
-
-                 max_failures
-                    The number of failures a compute service is allowed to
-                    have (before the forgive time) before it is no longer
-                    allowed to claim a task. If any managed compute services
-                    have failues that exceed this value, the returned
-                    instruction will be SKIP.
-
-                scopes
-                    The scopes to consider when determining available tasks.
-
-                Returns
-                -------
-                A tuple with whose first value is the instruction enumeration
-                and whose second value is data associated with that
-                instruction.
+        This method returns one of three instructions along with supporting data:
+
+        1. "OK" with a list of ComputeServiceIDs and the number of available tasks
+        2. "SKIP" with a list of ComputeServiceIDs
+        3. "SHUTDOWN" with an error message
+
+        Parameters
+        ----------
+        compute_manager_id
+            The compute manager ID string containing the manager_name
+            and the UUID.
+
+        forgive_time
+            The time at which a failure from a compute service is
+            considered forgiven.
+
+         max_failures
+            The number of failures a compute service is allowed to
+            have (before the forgive time) before it is no longer
+            allowed to claim a task. If any managed compute services
+            have failues that exceed this value, the returned
+            instruction will be SKIP.
+
+        scopes
+            The scopes to consider when determining available tasks.
+
+        Returns
+        -------
+        A tuple with whose first value is the instruction enumeration
+        and whose second value is data associated with that
+        instruction.
 
         """