Fix code style issues with Black

cbc-univie · Feb 6, 2024 · c8e9146 · c8e9146
1 parent 5cf90ae
commit c8e9146
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Showing 4 changed files with 15 additions and 12 deletions.
diff --git a/transformato/system.py b/transformato/system.py
@@ -54,10 +54,10 @@ def __init__(self, configuration: dict, structure: str):
                 # load parameters
                 self.psfs[env].load_parameters(parameter)
                 # get offset
-                self.offset[
-                    env
-                ] = self._determine_offset_and_set_possible_dummy_properties(
-                    self.psfs[env]
+                self.offset[env] = (
+                    self._determine_offset_and_set_possible_dummy_properties(
+                        self.psfs[env]
+                    )
                 )
 
             # generate rdkit mol object of small molecule
@@ -78,10 +78,10 @@ def __init__(self, configuration: dict, structure: str):
                     self.psfs[env] = self._initialize_system(configuration, env)
                     # load parameters
                     self.psfs[env].load_parameters(parameter)
-                    self.offset[
-                        env
-                    ] = self._determine_offset_and_set_possible_dummy_properties(
-                        self.psfs[env]
+                    self.offset[env] = (
+                        self._determine_offset_and_set_possible_dummy_properties(
+                            self.psfs[env]
+                        )
                     )
 
                 elif self.ff == "amber":
@@ -91,10 +91,10 @@ def __init__(self, configuration: dict, structure: str):
                     self.psfs[env].load_rst7(
                         f"{self.charmm_gui_base}/waterbox/openmm/step3_input.rst7"
                     )
-                    self.offset[
-                        env
-                    ] = self._determine_offset_and_set_possible_dummy_properties(
-                        self.psfs[env]
+                    self.offset[env] = (
+                        self._determine_offset_and_set_possible_dummy_properties(
+                            self.psfs[env]
+                        )
                     )
                     # if env == "vacuum":
                     #     self.psfs["vacuum"] = self.psfs["waterbox"][f":{self.tlc}"]

diff --git a/transformato/tests/test_misc.py b/transformato/tests/test_misc.py
@@ -1,6 +1,7 @@
 """
 Unit and regression test for the transformato package.
 """
+
 from transformato.helper_functions import temperature
 from openmm import unit
 import numpy as np

diff --git a/transformato/tests/test_postprocessing.py b/transformato/tests/test_postprocessing.py
@@ -1,6 +1,7 @@
 """
 Unit and regression test for the transformato package.
 """
+
 import os
 
 import numpy as np

diff --git a/transformato/tests/test_restraints.py b/transformato/tests/test_restraints.py
@@ -10,6 +10,7 @@
 
 Tests are mainly based on 2OJ9
 """
+
 import glob
 import logging
 import os