fix typos and c_7 shape in tests

Author: jkalayan

CodeEntropy/levels/neighbors.py

@@ -170,7 +170,7 @@ def _get_rdkit_mol(self, universe, mol_id):
             try:
                 rdkit_mol = molecule.convert_to("RDKIT", force=True)
             except Exception:
-                logger.debug("Warning: Constriant bonds to H atoms found")
+                logger.debug("Warning: Constraint bonds to H atoms found")
                 rdkit_mol = molecule.convert_to("RDKIT", force=True, inferrer=None)
 
         number_heavy = rdkit_mol.GetNumHeavyAtoms()

tests/unit/CodeEntropy/levels/test_mda_universe_operations.py

@@ -141,7 +141,7 @@ def capture_universe(*args, **kwargs):
 
     assert np.allclose(ts.forces, np.array([[1.0, 2.0, 3.0]], dtype=float) * 4.184)
     assert np.allclose(ts.data["c_5"], np.array([1.0], dtype=float) * 4.184)
-    assert np.allclose(ts.data["c_7"], np.array([[2.0]], dtype=float) * 4.184)
+    assert np.allclose(ts.data["c_7"], np.array([2.0], dtype=float) * 4.184)
 
 
 def test_convert_lammps_fallback_on_keyerror(monkeypatch):