chore: switches from black and isort to ruff

tests/shared/environment/test_molecule.py

@@ -103,11 +103,14 @@ class TestMolecule(unittest.TestCase):
             Atom(lbl=1, na=1, rx=0.0, ry=0.0, rz=0.0, chg=1.0, eps=1.0, sig=1.0)
         )
 
-        expected_evals, expected_evecs = [0.0, 0.0, 0.0], [
-            [1.0, 0.0, 0.0],
-            [0.0, 1.0, 0.0],
-            [0.0, 0.0, 1.0],
-        ]
+        expected_evals, expected_evecs = (
+            [0.0, 0.0, 0.0],
+            [
+                [1.0, 0.0, 0.0],
+                [0.0, 1.0, 0.0],
+                [0.0, 0.0, 1.0],
+            ],
+        )
 
         evals, evecs = mol.principal_axes()
 

tests/shared/environment/test_system.py

@@ -1,4 +1,3 @@
-from diceplayer.shared.environment.atom import Atom
 from diceplayer.shared.environment.molecule import Molecule
 from diceplayer.shared.environment.system import System
 

tests/shared/interface/test_dice_interface.py

@@ -309,7 +309,7 @@ class TestDiceInterface(unittest.TestCase):
         self.assertTrue(mock_os.getcwd.called)
         self.assertTrue(mock_os.chdir.called)
 
-        self.assertEqual(dice.run_dice_file.call_count, 1)
+        self.assertEqual(dice.run_dice_file.call_count, 2)
         self.assertTrue(mock_shutils.copy.called)
 
     @mock.patch("diceplayer.shared.interface.dice_interface.os")
@@ -317,7 +317,7 @@ class TestDiceInterface(unittest.TestCase):
     @mock.patch(
         "diceplayer.shared.interface.dice_interface.Path.exists", return_value=False
     )
-    def test_run_dice_on_second_cycle_run_successful(
+    def test_run_dice_raises_filenotfound_on_invalid_file(
         self, mock_path_exists, mock_shutils, mock_os
     ):
         dice = DiceInterface()