From 6362d9878056604e0d2c4a2773b16e7c67d3819a Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Mon, 28 Oct 2024 10:47:25 +0000 Subject: [PATCH] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- tests/test_vasp_poscar_to_system.py | 11 ++++++++--- 1 file changed, 8 insertions(+), 3 deletions(-) diff --git a/tests/test_vasp_poscar_to_system.py b/tests/test_vasp_poscar_to_system.py index 8d642a2e5..23b1e982b 100644 --- a/tests/test_vasp_poscar_to_system.py +++ b/tests/test_vasp_poscar_to_system.py @@ -23,17 +23,22 @@ class TestPOSCARCart(unittest.TestCase): def test_move_flags_error1(self): with self.assertRaisesRegex(RuntimeError, "Invalid move flags.*?"): dpdata.System().from_vasp_poscar(os.path.join("poscars", "POSCAR.oh.err1")) - + def test_move_flags_error2(self): with self.assertRaisesRegex(RuntimeError, "Invalid move flag: a"): dpdata.System().from_vasp_poscar(os.path.join("poscars", "POSCAR.oh.err2")) def test_move_flags_error3(self): - system = dpdata.System().from_vasp_poscar(os.path.join("poscars", "POSCAR.oh.c")) + system = dpdata.System().from_vasp_poscar( + os.path.join("poscars", "POSCAR.oh.c") + ) system.data["move"] = np.array([[[True, True], [False, False]]]) - with self.assertRaisesRegex(RuntimeError, "Invalid move flags:.*?should be a list of 3 bools"): + with self.assertRaisesRegex( + RuntimeError, "Invalid move flags:.*?should be a list of 3 bools" + ): system.to_vasp_poscar("POSCAR.tmp.1") + class TestPOSCARDirect(unittest.TestCase, TestPOSCARoh): def setUp(self): self.system = dpdata.System()