update ob imports to work for openbabel>=3.0.0

MDAnalysis · Jul 24, 2024 · dc8a137 · dc8a137
1 parent 80e2cb0
commit dc8a137
Show file tree

Hide file tree

Showing 3 changed files with 3 additions and 3 deletions.
diff --git a/mda_openbabel_converter/OpenBabel.py b/mda_openbabel_converter/OpenBabel.py
@@ -8,7 +8,7 @@
 from MDAnalysis.core.groups import AtomGroup
 
 try:
-    import openbabel as OB
+    from openbabel import openbabel as OB
     from openbabel import OBMol
 except ImportError:
     print("Cannot find openbabel, install with 'pip install openbabel==2.4.0'")

diff --git a/mda_openbabel_converter/OpenBabelParser.py b/mda_openbabel_converter/OpenBabelParser.py
@@ -35,7 +35,7 @@
 NEUTRON_MASS = 1.008
 
 try:
-    import openbabel as ob
+    from openbabel import openbabel as ob
     from openbabel import OBMol
     from openbabel import OBElementTable
     HAS_OBABEL = True

diff --git a/mda_openbabel_converter/tests/test_openbabel_parser.py b/mda_openbabel_converter/tests/test_openbabel_parser.py
@@ -1,7 +1,7 @@
 # Testing OpenBabel and Pybel
 
 import MDAnalysis as mda
-import openbabel as ob
+from openbabel import openbabel as ob
 from openbabel import OBMol, OBConversion, OBElementTable
 from pybel import readfile
 # from openbabel.test.files import files