Bugfix: using RDMC implemented xyz2mol

This commit fixes the behavior when RDKit's implementation of xyz2mol is available, forcing to use RDMC's implementation will raise an error.
xiaoruiDong · Sep 7, 2023 · 0413c21 · 0413c21
1 parent 3057c9a
commit 0413c21
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/rdmc/utils.py b/rdmc/utils.py
@@ -18,9 +18,9 @@
     from rdkit.Chem import rdDetermineBonds
 except ImportError:
     rdDetermineBonds = None
-    from rdmc.external.xyz2mol import parse_xyz_by_jensen as parse_xyz_by_jensen_rdmc
     # TODO: Could raise an warning says RDKit built-in xyz2mol not supported due to lower version
     # uses a rdmc-implemented version of xyz2mol
+from rdmc.external.xyz2mol import parse_xyz_by_jensen as parse_xyz_by_jensen_rdmc
 from rdkit.Chem.TorsionFingerprints import CalculateTorsionLists
 
 # Mute RDKit's error logs