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

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cmelab · Oct 25, 2023 · c5b9191 · c5b9191
1 parent 2204a6d
commit c5b9191
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Showing 2 changed files with 2 additions and 1 deletion.
diff --git a/grits/tests/test_coarsegrain.py b/grits/tests/test_coarsegrain.py
@@ -217,7 +217,7 @@ def test_anisobenzene(self, tmp_path):
             gsdfile,
             beads={"_B": "c1ccccc1"},
             conversion_dict=amber_dict,
-            aniso_beads=True
+            aniso_beads=True,
         )
         assert isinstance(system.mapping, dict)
         assert len(system.mapping["_B...c1ccccc1"]) == 20

diff --git a/grits/utils.py b/grits/utils.py
@@ -295,6 +295,7 @@ def get_com(particle_positions, particle_masses):
     center_of_mass = np.sum(weighted_positions / M, axis=0)
     return center_of_mass
 
+
 def get_quaternion(n1, n0=np.array([0, 0, 1])):
     """Calculates axis and angle of rotation given
        two planes normal vectors, which is then used