applied black

MDANSE/Tests/UnitTests/AtomMapping/test_atom_mapping.py

@@ -81,14 +81,20 @@ def test_get_element_from_mapping_with_no_entry_raises_error_with_bad_label():
 
 
 def test_fill_remaining_labels_fill_mapping_correctly_already_filled_1():
-    labels = [AtomLabel("label1", molecule="mol1"), AtomLabel("label2", molecule="mol1")]
+    labels = [
+        AtomLabel("label1", molecule="mol1"),
+        AtomLabel("label2", molecule="mol1"),
+    ]
     mapping = {"molecule=mol1": {"label1": "C", "label2": "C"}}
     fill_remaining_labels(mapping, labels)
     assert mapping == {"molecule=mol1": {"label1": "C", "label2": "C"}}
 
 
 def test_fill_remaining_labels_fill_mapping_correctly_already_filled_2():
-    labels = [AtomLabel("label1", molecule="mol1"), AtomLabel("label1", molecule="mol1")]
+    labels = [
+        AtomLabel("label1", molecule="mol1"),
+        AtomLabel("label1", molecule="mol1"),
+    ]
     mapping = {"molecule=mol1": {"label1": "C"}}
     fill_remaining_labels(mapping, labels)
     assert mapping == {"molecule=mol1": {"label1": "C"}}
@@ -108,12 +114,18 @@ def test_check_mapping_valid_as_elements_are_correct():
 
 
 def test_check_mapping_not_valid_as_elements_not_correct():
-    labels = [AtomLabel("label1", molecule="mol1"), AtomLabel("label2", molecule="mol1")]
+    labels = [
+        AtomLabel("label1", molecule="mol1"),
+        AtomLabel("label2", molecule="mol1"),
+    ]
     mapping = {"molecule=mol1": {"label1": "C", "label2": "aaa"}}
     assert not check_mapping_valid(mapping, labels)
 
 
 def test_check_mapping_not_valid_due_to_missing_mappings():
-    labels = [AtomLabel("label1", molecule="mol1"), AtomLabel("label2", molecule="mol1")]
+    labels = [
+        AtomLabel("label1", molecule="mol1"),
+        AtomLabel("label2", molecule="mol1"),
+    ]
     mapping = {"molecule=mol1": {"label1": "C"}}
     assert not check_mapping_valid(mapping, labels)

MDANSE/Tests/UnitTests/test_configurator.py

@@ -64,7 +64,7 @@ def test_integer_configurator(self):
         self.assertEqual(configurator["value"], 10)
         configurator.configure(10.1)
         self.assertEqual(configurator["value"], 10)
-        configurator.configure('xxxx')
+        configurator.configure("xxxx")
         self.assertFalse(configurator.valid)
 
     def test_float_configurator(self):
@@ -137,6 +137,7 @@ def test_projection_planar(self):
 
 def test_XYZFileConfigurator_with_cp2k_pos():
     from MDANSE.Framework.Configurators.XYZFileConfigurator import XYZFileConfigurator
+
     xyz_file = XYZFileConfigurator("test")
     xyz_file["filename"] = cp2k_pos
     xyz_file.parse()

MDANSE/Tests/UnitTests/test_converter.py

@@ -248,15 +248,17 @@ def test_xyz_mdt_conversion_file_exists_and_loads_up_successfully(compression):
 
 
 @pytest.mark.parametrize("compression", ["none", "gzip", "lzf"])
-def test_dlp_mdt_conversion_file_exists_and_loads_up_successfully_with_dlp_version_2(compression):
+def test_dlp_mdt_conversion_file_exists_and_loads_up_successfully_with_dlp_version_2(
+    compression,
+):
     temp_name = tempfile.mktemp()
 
     parameters = {
-        'atom_aliases': '{}',
-        'field_file': dlp_field_v2,
-        'fold': False,
-        'history_file': dlp_history_v2,
-        'output_file': (temp_name, 64, compression),
+        "atom_aliases": "{}",
+        "field_file": dlp_field_v2,
+        "fold": False,
+        "history_file": dlp_history_v2,
+        "output_file": (temp_name, 64, compression),
     }
     dl_poly = Converter.create("DL_POLY")
     dl_poly.run(parameters, status=True)
@@ -269,15 +271,17 @@ def test_dlp_mdt_conversion_file_exists_and_loads_up_successfully_with_dlp_versi
 
 
 @pytest.mark.parametrize("compression", ["none", "gzip", "lzf"])
-def test_dlp_mdt_conversion_file_exists_and_loads_up_successfully_with_dlp_version_4(compression):
+def test_dlp_mdt_conversion_file_exists_and_loads_up_successfully_with_dlp_version_4(
+    compression,
+):
     temp_name = tempfile.mktemp()
 
     parameters = {
-        'atom_aliases': '{}',
-        'field_file': dlp_field_v4,
-        'fold': False,
-        'history_file': dlp_history_v4,
-        'output_file': (temp_name, 64, compression),
+        "atom_aliases": "{}",
+        "field_file": dlp_field_v4,
+        "fold": False,
+        "history_file": dlp_history_v4,
+        "output_file": (temp_name, 64, compression),
     }
     dl_poly = Converter.create("DL_POLY")
     dl_poly.run(parameters, status=True)
@@ -290,15 +294,17 @@ def test_dlp_mdt_conversion_file_exists_and_loads_up_successfully_with_dlp_versi
 
 
 @pytest.mark.parametrize("compression", ["none", "gzip", "lzf"])
-def test_namd_mdt_conversion_file_exists_and_loads_up_successfully_and_chemical_system_has_correct_number_of_atoms(compression):
+def test_namd_mdt_conversion_file_exists_and_loads_up_successfully_and_chemical_system_has_correct_number_of_atoms(
+    compression,
+):
     temp_name = tempfile.mktemp()
 
     parameters = {
-        'dcd_file': apoferritin_dcd,
-        'fold': False,
-        'output_file': (temp_name, 64, compression),
-        'pdb_file': apoferritin_pdb,
-        'time_step': '1.0',
+        "dcd_file": apoferritin_dcd,
+        "fold": False,
+        "output_file": (temp_name, 64, compression),
+        "pdb_file": apoferritin_pdb,
+        "time_step": "1.0",
     }
     namd = Converter.create("NAMD")
     namd.run(parameters, status=True)
@@ -310,4 +316,4 @@ def test_namd_mdt_conversion_file_exists_and_loads_up_successfully_and_chemical_
     assert hdftradj["instance"].chemical_system.number_of_atoms == 12397
 
     hdftradj["instance"].close()
-    os.remove(temp_name + ".mdt")
+    os.remove(temp_name + ".mdt")

MDANSE/Tests/UnitTests/test_text_output.py

@@ -24,6 +24,7 @@ def trajectory():
     trajectory = HDFTrajectoryInputData(short_traj)
     yield trajectory
 
+
 def test_temperature(trajectory):
     temp_name = tempfile.mktemp()
     parameters = {}