Fix a redundant unit tag (#1227)

openforcefield · Mar 24, 2022 · 615f825 · 615f825
1 parent 45fb642
commit 615f825
Showing 1 changed file with 2 additions and 3 deletions.
diff --git a/openff/toolkit/utils/openeye_wrapper.py b/openff/toolkit/utils/openeye_wrapper.py
@@ -1025,9 +1025,8 @@ def describe_oeatom(oeatom):
                 # Store with implicit units until we're sure this conformer exists
                 positions = np.zeros(shape=[n_atoms, 3], dtype=np.float64)
                 for oe_id in conf.GetCoords().keys():
-                    off_atom_coords = unit.Quantity(
-                        conf.GetCoords()[oe_id], unit.angstrom
-                    )
+                    # implicitly in angstrom
+                    off_atom_coords = conf.GetCoords()[oe_id]
                     off_atom_index = off_to_oe_idx[oe_id]
                     positions[off_atom_index, :] = off_atom_coords
                 all_zeros = not np.any(positions)