Update tests for pdbfixer
@@ -1011,8 +1011,8 @@ def test_strip_protons():
assert not has_hydrogen
-def test_make_mutations():
- """Test that mutations are made correctly."""
+def test_pdbfixer_make_mutations():
+ """Test that pdbfixer can make mutations correctly."""
mol_id = 'Abl'
abl_path = examples_paths()['abl']
with mmtools.utils.temporary_directory() as tmp_dir:
@@ -1035,10 +1035,12 @@ def test_make_mutations():
assert not os.path.exists(output_path)
# Now we set the strip_protons options and repeat
- exp_builder._db.molecules[mol_id]['make_mutations'] = {
- 'chain' : 'A',
+ exp_builder._db.molecules[mol_id]['pdbfixer'] = {
+ 'make_mutations' : {
+ 'chain_id' : 'A',
'mutations': 'T85I',
}
+ }
exp_builder._db._setup_molecules(mol_id)
assert os.path.exists(output_path)
assert os.path.getsize(output_path) > 0
