Cleanup after switching init conds behavior

openpathsampling · Aug 25, 2024 · 06db15a · 06db15a
1 parent d1c7539
commit 06db15a
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Showing 3 changed files with 8 additions and 6 deletions.
diff --git a/paths_cli/tests/commands/test_equilibrate.py b/paths_cli/tests/commands/test_equilibrate.py
@@ -11,7 +11,7 @@
 def print_test(output_storage, scheme, init_conds, multiplier, extra_steps):
     print(isinstance(output_storage, paths.Storage))
     print(scheme.__uuid__)
-    print(init_conds.__uuid__)
+    print([o.__uuid__ for o in init_conds])
     print(multiplier, extra_steps)
 
 
@@ -31,8 +31,10 @@ def test_equilibrate(tps_fixture):
             ["setup.nc", "-o", "foo.nc"]
         )
         out_str = "True\n{schemeid}\n{condsid}\n1 0\n"
-        expected_output = out_str.format(schemeid=scheme.__uuid__,
-                                         condsid=init_conds.__uuid__)
+        expected_output = out_str.format(
+            schemeid=scheme.__uuid__,
+            condsid=[o.trajectory.__uuid__ for o in init_conds],
+        )
         assert results.exit_code == 0
         assert results.output == expected_output
 

diff --git a/paths_cli/tests/commands/test_pathsampling.py b/paths_cli/tests/commands/test_pathsampling.py
@@ -11,7 +11,7 @@
 def print_test(output_storage, scheme, init_conds, n_steps):
     print(isinstance(output_storage, paths.Storage))
     print(scheme.__uuid__)
-    print(init_conds.__uuid__)
+    print([traj.__uuid__ for traj in init_conds])
     print(n_steps)
 
 @patch('paths_cli.commands.pathsampling.pathsampling_main', print_test)
@@ -26,7 +26,8 @@ def test_pathsampling(tps_fixture):
 
         results = runner.invoke(pathsampling, ['setup.nc', '-o', 'foo.nc',
                                                '-n', '1000'])
-        expected_output = (f"True\n{scheme.__uuid__}\n{init_conds.__uuid__}"
+        initcondsid = [samp.trajectory.__uuid__ for samp in init_conds]
+        expected_output = (f"True\n{scheme.__uuid__}\n{initcondsid}"
                            "\n1000\n")
 
         assert results.output == expected_output

diff --git a/paths_cli/tests/test_parameters.py b/paths_cli/tests/test_parameters.py
@@ -277,7 +277,6 @@ def test_get_none(self, num_in_file):
 
         st = paths.Storage(filename, mode='r')
         obj = INIT_CONDS.get(st, None)
-        # TODO: fix this for all being trajectories
         expected = [
             [self.traj],
             [s.trajectory for s in self.sample_set],