Minor changes

MDAnalysis · Jan 20, 2025 · 3f24903 · 3f24903
1 parent c45bef4
commit 3f24903
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Showing 2 changed files with 15 additions and 8 deletions.
diff --git a/package/CHANGELOG b/package/CHANGELOG
@@ -33,7 +33,7 @@ Enhancements
  * Enable parallelization for analysis.nucleicacids.NucPairDist (Issue #4670)
  * Add check and warning for empty (all zero) coordinates in RDKit converter (PR #4824)
  * Added `precision` for XYZWriter (Issue #4775, PR #4771)
- * Parallelize `analysis.rdf.EinsteinMSD` (Issue #4676, PR #)
+ * Parallelize `analysis.rdf.EinsteinMSD` (Issue #4676, PR #4896)
 
 
 Changes

diff --git a/package/MDAnalysis/analysis/msd.py b/package/MDAnalysis/analysis/msd.py
@@ -307,11 +307,14 @@ class EinsteinMSD(AnalysisBase):
 
     @classmethod
     def get_supported_backends(cls):
-        return ('serial', 'multiprocessing', 'dask',)
+        return (
+            "serial",
+            "multiprocessing",
+            "dask",
+        )
 
     _analysis_algorithm_is_parallelizable = True
 
-
     def __init__(self, u, select="all", msd_type="xyz", fft=True, **kwargs):
         r"""
         Parameters
@@ -405,12 +408,16 @@ def _single_frame(self):
     @staticmethod
     def f(arrs):
         pass
-    
+
     def _get_aggregator(self):
-        return ResultsGroup(lookup={'_position_array': ResultsGroup.ndarray_vstack, 
-                                    'msds_by_particle':  self.f,
-                                    'timeseries':  self.f})
-
+        return ResultsGroup(
+            lookup={
+                "_position_array": ResultsGroup.ndarray_vstack,
+                "msds_by_particle": self.f,
+                "timeseries": self.f,
+            }
+        )
+
     def _conclude(self):
         self.results.msds_by_particle = np.zeros(
             (self.n_frames, self.n_particles)