try more explicit import

openfe/tests/conftest.py

@@ -18,7 +18,7 @@ from openff.toolkit import ForceField
 from openff.units import unit as offunit
 from openmm import unit as ommunit
 from rdkit import Chem
-from rdkit.Chem import AllChem
+from rdkit.Chem.AllChem import Compute2DCoords
 
 import openfe
 from openfe.protocols.openmm_rfe import RelativeHybridTopologyProtocol
@@ -117,7 +117,7 @@ def pytest_configure(config):
 
 def mol_from_smiles(smiles: str) -> Chem.Mol:
     m = Chem.MolFromSmiles(smiles)
-    AllChem.Compute2DCoords(m)
+    Compute2DCoords(m)
 
     return m
 

openfe/tests/dev/serialization_test_templates.py

@@ -11,7 +11,7 @@
 # {GUFE_VERSION}
 
 from rdkit import Chem
-from rdkit.Chem import AllChem
+from rdkit.Chem.AllChem import Compute2DCoords
 
 from openfe import LigandAtomMapping, LigandNetwork, SmallMoleculeComponent
 
@@ -27,7 +27,7 @@ writer.close()
 
 def mol_from_smiles(smiles: str) -> Chem.Mol:
     m = Chem.MolFromSmiles(smiles)
-    AllChem.Compute2DCoords(m)
+    Compute2DCoords(m)
 
     return m
 

openfe/utils/atommapping_network_plotting.py

@@ -7,7 +7,7 @@ import matplotlib
 from gufe.visualization.mapping_visualization import (
     draw_one_molecule_mapping,
 )
-from rdkit import Chem
+from rdkit.Chem.Draw.rdMolDraw2D import MolDraw2DCairo
 
 from openfe import LigandNetwork, SmallMoleculeComponent
 from openfe.utils.custom_typing import MPL_MouseEvent
@@ -42,7 +42,7 @@ class AtomMappingEdge(Edge):
         molA_to_molB: Dict[int, int],
     ):
         # create the image in a format matplotlib can handle
-        d2d = Chem.Draw.rdMolDraw2D.MolDraw2DCairo(300, 300, 300, 300)
+        d2d = MolDraw2DCairo(300, 300, 300, 300)
         d2d.drawOptions().setBackgroundColour((1, 1, 1, 0.7))
         # TODO: use a custom draw2d object; figure size from transforms
         img_bytes = draw_one_molecule_mapping(