Merge pull request #802 from MolSSI/qcportal_caching

Implement client-side dataset caching
MolSSI · Feb 27, 2024 · 345b92c · 345b92c
2 parents 32a29a8 + 83dd3e2
commit 345b92c
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Showing 32 changed files with 1,997 additions and 842 deletions.
diff --git a/qcarchivetesting/qcarchivetesting/testing_classes.py b/qcarchivetesting/qcarchivetesting/testing_classes.py
@@ -248,7 +248,7 @@ def stop_job_runner(self) -> None:
         """
         self._stop_job_runner()
 
-    def client(self, username=None, password=None) -> PortalClient:
+    def client(self, username=None, password=None, cache_dir=None) -> PortalClient:
         """
         Obtain a client connected to this snowflake
 
@@ -258,18 +258,16 @@ def client(self, username=None, password=None) -> PortalClient:
             The username to connect as
         password
             The password to use
+        cache_dir
+            Directory to store cache files in
 
         Returns
         -------
         :
             A PortalClient that is connected to this snowflake
         """
 
-        client = PortalClient(
-            self.get_uri(),
-            username=username,
-            password=password,
-        )
+        client = PortalClient(self.get_uri(), username=username, password=password, cache_dir=cache_dir)
         client.encoding = self.encoding
         return client
 

diff --git a/qcfractal/qcfractal/components/optimization/test_record_client.py b/qcfractal/qcfractal/components/optimization/test_record_client.py
@@ -294,10 +294,10 @@ def test_optimization_client_traj(snowflake: QCATestingSnowflake, opt_file: str,
     if fetch_traj:
         rec._fetch_trajectory()
         assert rec.trajectory_ids_ is not None
-        assert rec.trajectory_records_ is not None
+        assert rec._trajectory_records is not None
     else:
         assert rec.trajectory_ids_ is None
-        assert rec.trajectory_records_ is None
+        assert rec._trajectory_records is None
 
     assert rec.trajectory_element(0).id == rec_traj.trajectory[0].id
     assert rec.trajectory_element(-1).id == rec_traj.trajectory[-1].id