diff --git a/tests/io/lammps/test_data.py b/tests/io/lammps/test_data.py index 9803a8b26ad..82fbabc71b5 100644 --- a/tests/io/lammps/test_data.py +++ b/tests/io/lammps/test_data.py @@ -512,11 +512,13 @@ def test_json_dict(self): pd.testing.assert_frame_equal(c2h6.atoms, self.ethane.atoms) ff = self.ethane.force_field rng = np.random.default_rng() - key, target_df = rng.choice(sorted(ff.items()), 1)[0] + ff_items = list(ff.items()) + key, target_df = ff_items[rng.choice(len(ff_items))] c2h6.force_field[key].index = c2h6.force_field[key].index.map(int) assert pd.testing.assert_frame_equal(c2h6.force_field[key], target_df, check_dtype=False) is None, key topo = self.ethane.topology - key, target_df = rng.choice(sorted(topo.items()), 1)[0] + topo_items = list(topo.items()) + key, target_df = topo_items[rng.choice(len(topo_items))] c2h6.topology[key].index = c2h6.topology[key].index.map(int) assert pd.testing.assert_frame_equal(c2h6.topology[key], target_df) is None, key @@ -1066,24 +1068,28 @@ def test_json_dict(self): pd.testing.assert_frame_equal(lic3o3h4.atoms, self.li_ec.atoms) ff = self.li_ec.force_field rng = np.random.default_rng() - key, target_df = rng.choice(sorted(ff.items()), 1)[0] + ff_items = list(ff.items()) + key, target_df = ff_items[rng.choice(len(ff_items))] lic3o3h4.force_field[key].index = lic3o3h4.force_field[key].index.map(int) assert pd.testing.assert_frame_equal(lic3o3h4.force_field[key], target_df, check_dtype=False) is None, key topo = self.li_ec.topology - key, target_df = rng.choice(sorted(topo.items()), 1)[0] + topo_items = list(topo.items()) + key, target_df = topo_items[rng.choice(len(topo_items))] assert pd.testing.assert_frame_equal(lic3o3h4.topology[key], target_df) is None, key lic3o3h4.mols[1].masses.index = lic3o3h4.mols[1].masses.index.map(int) lic3o3h4.mols[1].atoms.index = lic3o3h4.mols[1].atoms.index.map(int) pd.testing.assert_frame_equal(lic3o3h4.mols[1].masses, self.li_ec.mols[1].masses) pd.testing.assert_frame_equal(lic3o3h4.mols[1].atoms, self.li_ec.mols[1].atoms) ff_1 = self.li_ec.mols[1].force_field - key, target_df = rng.choice(sorted(ff_1.items()), 1)[0] + ff1_items = list(ff_1.items()) + key, target_df = ff1_items[rng.choice(len(ff1_items))] lic3o3h4.mols[1].force_field[key].index = lic3o3h4.mols[1].force_field[key].index.map(int) assert ( pd.testing.assert_frame_equal(lic3o3h4.mols[1].force_field[key], target_df, check_dtype=False) is None ), key topo_1 = self.li_ec.mols[1].topology - key, target_df = rng.choice(sorted(topo_1.items()), 1)[0] + topo1_items = list(topo_1.items()) + key, target_df = topo1_items[rng.choice(len(topo1_items))] lic3o3h4.mols[1].topology[key].index = lic3o3h4.mols[1].topology[key].index.map(int) assert pd.testing.assert_frame_equal(lic3o3h4.mols[1].topology[key], target_df) is None, key