From 9e7f1e911adc6037eca69f0dfc9329abc1aa278c Mon Sep 17 00:00:00 2001 From: Ian Kenney Date: Tue, 5 Dec 2023 10:31:33 -0700 Subject: [PATCH] Removed `return_gufe` kwarg from `AlchemiscaleClient.query_networks` (#206) * Removed `return_gufe` kwarg from `AlchemiscaleClient.query_networks` * Removed `return_gufe` kwarg from `query_networks` in user-facing API --------- Co-authored-by: David Dotson --- alchemiscale/interface/api.py | 10 +++++----- alchemiscale/interface/client.py | 16 +++------------- 2 files changed, 8 insertions(+), 18 deletions(-) diff --git a/alchemiscale/interface/api.py b/alchemiscale/interface/api.py index 3165c58a..a9978c26 100644 --- a/alchemiscale/interface/api.py +++ b/alchemiscale/interface/api.py @@ -135,25 +135,25 @@ def create_network( def query_networks( *, name: str = None, - return_gufe: bool = False, scope: Scope = Depends(scope_params), n4js: Neo4jStore = Depends(get_n4js_depends), token: TokenData = Depends(get_token_data_depends), ): # Intersect query scopes with accessible scopes in the token query_scopes = validate_scopes_query(scope, token) - networks_handler = QueryGUFEHandler(return_gufe) # query each scope # loop might be removable in the future with a Union like operator on scopes + results = [] for single_query_scope in query_scopes: - networks_handler.update_results( + results.extend( n4js.query_networks( - name=name, scope=single_query_scope, return_gufe=return_gufe + name=name, + scope=single_query_scope, ) ) - return networks_handler.format_return() + return [str(sk) for sk in results] @router.get("/transformations") diff --git a/alchemiscale/interface/client.py b/alchemiscale/interface/client.py index a9aefee8..8b0bdd0a 100644 --- a/alchemiscale/interface/client.py +++ b/alchemiscale/interface/client.py @@ -148,8 +148,7 @@ def query_networks( self, name: Optional[str] = None, scope: Optional[Scope] = None, - return_gufe=False, - ) -> Union[List[ScopedKey], Dict[ScopedKey, AlchemicalNetwork]]: + ) -> List[ScopedKey]: """Query for AlchemicalNetworks, optionally by name or Scope. Calling this method with no query arguments will return ScopedKeys for @@ -157,21 +156,12 @@ def query_networks( to. """ - if return_gufe: - networks = {} - else: - networks = [] - if scope is None: scope = Scope() - params = dict(name=name, return_gufe=return_gufe, **scope.dict()) - if return_gufe: - networks.update(self._query_resource("/networks", params=params)) - else: - networks.extend(self._query_resource("/networks", params=params)) + params = dict(name=name, **scope.dict()) - return networks + return self._query_resource("/networks", params=params) def query_transformations( self,