Applied black formatter

src/mdevaluate/distribution.py

@@ -114,6 +114,7 @@ def calc_gr(
             as large as possible, depending on the available memory.
         returnx (opt.): If True the x ordinate of the histogram is returned.
     """
+
     def gr_frame(
         atoms_a: CoordinateFrame,
         atoms_b: CoordinateFrame,
@@ -434,6 +435,7 @@ def hbonds(
     else:
         return pairs[is_bond]
 
+
 def calc_cluster_sizes(frame, r_max=0.35):
     frame_PBC, indices_PBC = pbc_points(
         frame, frame.box, thickness=r_max + 0.1, index=True

src/mdevaluate/system.py

@@ -6,6 +6,7 @@ from typing import Iterable
 import pandas as pd
 from tables import NoSuchNodeError
 
+
 @dataclass(kw_only=True)
 class MDSystem(abc.ABC):
     load_only_results: bool = False

src/mdevaluate/utils.py

@@ -89,20 +89,20 @@ def filon_fourier_transformation(
     else:
         raise NotImplementedError(
             'Invalid approximation method {}. Possible values are "linear", "stencil" '
-            'or a list of values.'
+            "or a list of values."
         )
     time = time.reshape(-1, 1)
 
     integral = (
         np.cos(frequencies * time[1:]) - np.cos(frequencies * time[:-1])
-               ) / frequencies ** 2
+    ) / frequencies**2
     fourier = (derivative * integral).sum(axis=0)
 
     if imag:
         integral = (
             1j
             * (np.sin(frequencies * time[1:]) - np.sin(frequencies * time[:-1]))
-                / frequencies ** 2
+            / frequencies**2
         )
         fourier = (
             fourier
@@ -498,5 +498,5 @@ def timing(function):
         time_needed = end_time - start_time
         print(f"Finished in {int(time_needed // 60)} min " f"{int(time_needed % 60)} s")
         return result
-    return wrap
 
+    return wrap