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

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cmelab · Dec 6, 2023 · ae918a0 · ae918a0
1 parent 15989f6
commit ae918a0
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Showing 2 changed files with 4 additions and 2 deletions.
diff --git a/grits/coarsegrain.py b/grits/coarsegrain.py
@@ -118,7 +118,7 @@ def __init__(
                     mol.write(format="mol2", filename=f.name, overwrite=True)
                     mol = list(pybel.readfile("mol2", f.name))[0]
 
-                mol.OBMol.AddHydrogens()#mol.addh()
+                mol.OBMol.AddHydrogens()  # mol.addh()
                 n_atoms2 = mol.OBMol.NumAtoms()
                 print(f"Added {n_atoms2-n_atoms} hydrogens.")
 

diff --git a/grits/tests/test_coarsegrain.py b/grits/tests/test_coarsegrain.py
@@ -254,7 +254,9 @@ def test_anisorotations(self, tmp_path):
         with gsd.hoomd.open(cg_gsd) as f:
             frame0 = f[0]
             frame1 = f[1]
-        assert not np.allclose(frame0.particles.orientation, frame1.particles.orientation)
+        assert not np.allclose(
+            frame0.particles.orientation, frame1.particles.orientation
+        )
 
     def test_pps(self, tmp_path):
         gsdfile = path.join(asset_dir, "pps-aa.gsd")