Inverted import order to cause OpenFF installation error to raise pri…

…or to direct openff.toolkit imports
timbernat · Dec 3, 2024 · 00f5f97 · 00f5f97
1 parent 9f4b82c
commit 00f5f97
Showing 1 changed file with 5 additions and 3 deletions.
diff --git a/polymerist/tests/mdtools/openfftools/partialcharge/test_molchargers.py b/polymerist/tests/mdtools/openfftools/partialcharge/test_molchargers.py
@@ -5,13 +5,15 @@
 
 import pytest
 
-from openff.toolkit import Molecule
-from openff.toolkit.utils.toolkits import OPENEYE_AVAILABLE
-
+# NOTE: inverted custom imports here to get polymerist.openfftools import first, 
+# Done so that if OpenFF is not found, a helpful installation error with be raised prior to attempting direct openff.toolkit imports below
 from polymerist.genutils.importutils.dependencies import modules_installed
 from polymerist.mdtools.openfftools.partialcharge.molchargers import MolCharger, ABE10Charger, EspalomaCharger, NAGLCharger
 from polymerist.mdtools.openfftools.partialcharge.rescharge.interface import LibraryCharger
 
+from openff.toolkit import Molecule
+from openff.toolkit.utils.toolkits import OPENEYE_AVAILABLE
+
 
 # Test MolCharger subclass registration
 def test_molcharger_registers_subclasses() -> None: