Skip to content

Commit

Permalink
Update test_protein_ligand_prep.py
Browse files Browse the repository at this point in the history
  • Loading branch information
talagayev authored Oct 31, 2023
1 parent 1b7db25 commit ea984d8
Showing 1 changed file with 0 additions and 3 deletions.
Original file line number Diff line number Diff line change
Expand Up @@ -29,9 +29,6 @@ def test_protein_choice():
def test_prepare_ligand():
# Test the function with the sample ligand file.
rdkit_mol = prepare_ligand(TEST_LIGAND_FILE, minimize_molecule=True)

# Assertions to check the behavior of the function.
assert "rdkit.Chem.rdchem.Mol" in str(type(rdkit_mol))

assert Chem.MolToSmiles(rdkit_mol) # Check if a valid SMILES can be generated.

Expand Down

0 comments on commit ea984d8

Please sign in to comment.