From 08e0c722956161ec3e7ad92156d71848102ebb57 Mon Sep 17 00:00:00 2001
From: Valerij Talagayev <82884038+talagayev@users.noreply.github.com>
Date: Wed, 1 Nov 2023 02:32:42 +0100
Subject: [PATCH] Update test_protein_ligand_prep.py

---
 .../test_protein_ligand_prep.py               | 20 -------------------
 1 file changed, 20 deletions(-)

diff --git a/openmmdl/tests/openmmdl_simulation/test_protein_ligand_prep.py b/openmmdl/tests/openmmdl_simulation/test_protein_ligand_prep.py
index 424fa99f..2c9dcbd2 100644
--- a/openmmdl/tests/openmmdl_simulation/test_protein_ligand_prep.py
+++ b/openmmdl/tests/openmmdl_simulation/test_protein_ligand_prep.py
@@ -32,31 +32,11 @@ def test_prepare_ligand():
     
     # Add your assertions here to check if the preparation worked as expected
     assert rdkit_mol is not None  # Check if the result is not None
-
-# Define test cases
-@pytest.mark.parametrize("rdkit_mol, name, expected_num_atoms", [
-    (Chem.MolFromSmiles("CCO"), "Ethanol", 6),  # Example with ethanol molecule
-    # Add more test cases as needed
-])
-
-def test_rdkit_to_openmm():
-    # Call the conversion function
-    rdkit_mol_supplier = Chem.SDMolSupplier(TEST_LIGAND_FILE, sanitize=False)
-    rdkit_mol = None  # Initialize the variable
-    for mol in rdkit_mol_supplier:
-        if mol is not None:  # Ensure the molecule is not None
-            rdkit_mol = mol  # Assign the molecule to rdkit_mol
-    name="CVV"
-
     
     omm_molecule = rdkit_to_openmm(rdkit_mol, name)
-
     
     # Check if the result is an OpenMM Modeller
     assert isinstance(omm_molecule, app.Modeller)
 
-    # Check the number of atoms in the OpenMM molecule
-    assert len(omm_molecule.topology.atoms()) == expected_num_atoms
-
 if __name__ == '__main__':
     pytest.main()