reintializing ExperimentBuilder object fixes test
@@ -1346,7 +1346,11 @@ def test_modeller_mutations():
setup_molecule_output_check(exp_builder._db, mol_id, output_path)
os.remove(output_path) # Remove file for next check.
- # Now we set the strip_protons options and repeat
+
+ # Reinitialize exp_builder
+ exp_builder = ExperimentBuilder(yaml_content)
+
+ # Now we set the strip_protons options and repeat for the mutant case
exp_builder._db.molecules[mol_id]['modeller'] = {
'apply_mutations': {
'chain_id': 'A',
