[pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

flowermd/base/system.py

@@ -659,7 +659,7 @@ def __init__(
         overlap=0.2,
         seed=12345,
         fix_orientation=False,
-        **kwargs
+        **kwargs,
     ):
         if not isinstance(density, u.array.unyt_quantity):
             self.density = density * u.Unit("g") / u.Unit("cm**3")
@@ -674,7 +674,9 @@ def __init__(
         self.overlap = overlap
         self.seed = seed
         self.fix_orientation = fix_orientation
-        super(Pack, self).__init__(molecules=molecules, base_units=base_units,**kwargs)
+        super(Pack, self).__init__(
+            molecules=molecules, base_units=base_units, **kwargs
+        )
 
     def _build_system(self):
         mass_density = u.Unit("kg") / u.Unit("m**3")
@@ -702,7 +704,7 @@ def _build_system(self):
             overlap=self.overlap,
             seed=self.seed,
             edge=self.edge,
-            fix_orientation=self.fix_orientation
+            fix_orientation=self.fix_orientation,
         )
         return system
 

flowermd/tests/base/test_system.py

@@ -206,7 +206,7 @@ def test_pack_seed(self, benzene_molecule):
         default_seed = Pack(molecules=[benzene_mol], density=0.1)
         change_seed = Pack(molecules=[benzene_mol], density=0.1, seed=12340)
         assert not np.array_equal(default_seed.xyz,change_seed.xyz)
-        
+
     #adding test for kwargs argument in system.py Pack class
     def test_pack_kwargs_attr(self, polyethylene):
         polyethylene = polyethylene(lengths=5, num_mols=1)
@@ -221,7 +221,7 @@ def test_pack_kwargs_attr(self, polyethylene):
             seed=12345,
             sidemax=100.0, edge=0.2, compound_ratio=None, aspect_ratio=None, fix_orientation=False, temp_file=None, update_port_locations=False, packmol_args=None
         )
-        assert 
+        assert
 
     def test_mass(self, pps_molecule):
         pps_mol = pps_molecule(n_mols=20)