diff --git a/paths_cli/tests/commands/test_equilibrate.py b/paths_cli/tests/commands/test_equilibrate.py index c57a8b8..01c3689 100644 --- 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 index dc5034a..08d7db3 100644 --- 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 index c9531e1..ecc82a3 100644 --- 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],