From 3928533d9eff2a6f8d910111c0551339d37d5d8e Mon Sep 17 00:00:00 2001 From: Valerij Talagayev <82884038+talagayev@users.noreply.github.com> Date: Wed, 1 Nov 2023 01:15:38 +0100 Subject: [PATCH] Update test_protein_ligand_prep.py --- openmmdl/tests/openmmdl_simulation/test_protein_ligand_prep.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/openmmdl/tests/openmmdl_simulation/test_protein_ligand_prep.py b/openmmdl/tests/openmmdl_simulation/test_protein_ligand_prep.py index 1c8e1664..91e08013 100644 --- a/openmmdl/tests/openmmdl_simulation/test_protein_ligand_prep.py +++ b/openmmdl/tests/openmmdl_simulation/test_protein_ligand_prep.py @@ -31,7 +31,7 @@ def test_prepare_ligand(): rdkit_mol = prepare_ligand(TEST_LIGAND_FILE, minimize_molecule=True) # Add your assertions here to check if the preparation worked as expected - assert of_molecule is not None # Check if the result is not None + assert rdkit_mol is not None # Check if the result is not None def test_rdkit_to_openmm(): # Create an RDKit molecule (rdkit_mol) and provide a name.