[pre-commit.ci] auto fixes from pre-commit hooks

Author: pre-commit-ci[bot]

src/diffpy/morph/morphpy.py

@@ -24,7 +24,15 @@ def get_args(parser, params, kwargs):
     return opts, pargs
 
 
-def morph(morph_file, target_file, scale=None, stretch=None, smear=None, plot=False, **kwargs):
+def morph(
+    morph_file,
+    target_file,
+    scale=None,
+    stretch=None,
+    smear=None,
+    plot=False,
+    **kwargs,
+):
     """Run diffpy.morph at Python level.
     Parameters
     ----------
@@ -52,7 +60,12 @@ def morph(morph_file, target_file, scale=None, stretch=None, smear=None, plot=Fa
     """
 
     parser = create_option_parser()
-    params = {"scale": scale, "stretch": stretch, "smear": smear, "noplot": True if not plot else None}
+    params = {
+        "scale": scale,
+        "stretch": stretch,
+        "smear": smear,
+        "noplot": True if not plot else None,
+    }
     opts, pargs = get_args(parser, params, kwargs)
 
     pargs = [morph_file, target_file]
@@ -62,7 +75,15 @@ def morph(morph_file, target_file, scale=None, stretch=None, smear=None, plot=Fa
     )
 
 
-def morphpy(morph_table, target_table, scale=None, stretch=None, smear=None, plot=False, **kwargs):
+def morphpy(
+    morph_table,
+    target_table,
+    scale=None,
+    stretch=None,
+    smear=None,
+    plot=False,
+    **kwargs,
+):
     """Run diffpy.morph at Python level.
     Parameters
     ----------
@@ -90,7 +111,12 @@ def morphpy(morph_table, target_table, scale=None, stretch=None, smear=None, plo
     """
 
     parser = create_option_parser()
-    params = {"scale": scale, "stretch": stretch, "smear": smear, "noplot": True if not plot else None}
+    params = {
+        "scale": scale,
+        "stretch": stretch,
+        "smear": smear,
+        "noplot": True if not plot else None,
+    }
     opts, pargs = get_args(parser, params, kwargs)
 
     morph_table = np.array(morph_table)

tests/test_morphpy.py

@@ -2,18 +2,12 @@
 
 from pathlib import Path
 
-import pytest
 import numpy
+import pytest
 
-from diffpy.morph.morphapp import (
-    create_option_parser,
-    single_morph,
-)
+from diffpy.morph.morphapp import create_option_parser, single_morph
+from diffpy.morph.morphpy import morph, morphpy
 from diffpy.morph.tools import getRw
-from diffpy.morph.morphpy import (
-    morph,
-    morphpy,
-)
 
 thisfile = locals().get("__file__", "file.py")
 tests_dir = Path(thisfile).parent.resolve()
@@ -78,15 +72,25 @@ def test_morph(self, setup_morph):
         morph_results = {}
         morph_file = self.testfiles[0]
         for target_file in self.testfiles[1:]:
-            mr, grm = morph(morph_file, target_file, scale=1, stretch=0, sort_by="temperature")
+            mr, grm = morph(
+                morph_file,
+                target_file,
+                scale=1,
+                stretch=0,
+                sort_by="temperature",
+            )
             _, grt = morph(target_file, target_file)
             morph_results.update({target_file.name: mr})
+
             class Chain:
                 xyallout = grm[:, 0], grm[:, 1], grt[:, 0], grt[:, 1]
+
             chain = Chain()
             rw = getRw(chain)
             del chain
-            assert numpy.allclose([rw], [self.morphapp_results[target_file.name]["Rw"]])
+            assert numpy.allclose(
+                [rw], [self.morphapp_results[target_file.name]["Rw"]]
+            )
         assert morph_results == self.morphapp_results
 
     def test_morphpy(self, setup_morph):
@@ -95,7 +99,9 @@ def test_morphpy(self, setup_morph):
         for target_file in self.testfiles[1:]:
             _, grm0 = morph(morph_file, morph_file)
             _, grt = morph(target_file, target_file)
-            mr, grm = morphpy(grm0, grt, scale=1, stretch=0, sort_by="temperature")
+            mr, grm = morphpy(
+                grm0, grt, scale=1, stretch=0, sort_by="temperature"
+            )
             morph_results.update({target_file.name: mr})
 
             class Chain:
@@ -104,7 +110,9 @@ class Chain:
             chain = Chain()
             rw = getRw(chain)
             del chain
-            assert numpy.allclose([rw], [self.morphapp_results[target_file.name]["Rw"]])
+            assert numpy.allclose(
+                [rw], [self.morphapp_results[target_file.name]["Rw"]]
+            )
         assert morph_results == self.morphapp_results