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

pre-commit-ci[bot] · pre-commit-ci[bot] · commit f61364761ece · 2024-07-04T21:29:05.000Z
diff --git a/devutils/makesdist b/devutils/makesdist
@@ -10,6 +10,7 @@ import os
 import subprocess
 import sys
 import tarfile
+
 from setup import FALLBACK_VERSION, versiondata
 
 BASEDIR = os.path.dirname(os.path.dirname(os.path.realpath(__file__)))
diff --git a/src/diffpy/structure/__init__.py b/src/diffpy/structure/__init__.py
@@ -29,10 +29,10 @@
 
 from diffpy.structure.atom import Atom
 from diffpy.structure.lattice import Lattice
+from diffpy.structure.parsers import getParser
 from diffpy.structure.pdffitstructure import PDFFitStructure
 from diffpy.structure.structure import Structure
 from diffpy.structure.structureerrors import LatticeError, StructureFormatError, SymmetryError
-from diffpy.structure.parsers import getParser
 
 # package version
 from diffpy.structure.version import __version__
diff --git a/src/diffpy/structure/parsers/__init__.py b/src/diffpy/structure/parsers/__init__.py
@@ -31,9 +31,9 @@
     outputFormats   -- list of available output formats
 """
 
-from diffpy.structure.structureerrors import StructureFormatError
 from diffpy.structure.parsers.parser_index_mod import parser_index
 from diffpy.structure.parsers.structureparser import StructureParser
+from diffpy.structure.structureerrors import StructureFormatError
 
 # silence pyflakes checker
 assert StructureParser
diff --git a/src/diffpy/structure/parsers/p_auto.py b/src/diffpy/structure/parsers/p_auto.py
@@ -20,8 +20,8 @@
 
 import os
 
-from diffpy.structure.structureerrors import StructureFormatError
 from diffpy.structure.parsers import StructureParser, parser_index
+from diffpy.structure.structureerrors import StructureFormatError
 
 
 class P_auto(StructureParser):
diff --git a/src/diffpy/structure/parsers/p_cif.py b/src/diffpy/structure/parsers/p_cif.py
@@ -26,8 +26,8 @@
 import six
 
 from diffpy.structure import Atom, Lattice, Structure
-from diffpy.structure.structureerrors import StructureFormatError
 from diffpy.structure.parsers import StructureParser
+from diffpy.structure.structureerrors import StructureFormatError
 
 # ----------------------------------------------------------------------------
 
diff --git a/src/diffpy/structure/parsers/p_discus.py b/src/diffpy/structure/parsers/p_discus.py
@@ -22,8 +22,8 @@
 import six
 
 from diffpy.structure import Lattice, PDFFitStructure
-from diffpy.structure.structureerrors import StructureFormatError
 from diffpy.structure.parsers import StructureParser
+from diffpy.structure.structureerrors import StructureFormatError
 
 
 class P_discus(StructureParser):
diff --git a/src/diffpy/structure/parsers/p_pdb.py b/src/diffpy/structure/parsers/p_pdb.py
@@ -28,8 +28,8 @@
 from numpy import pi
 
 from diffpy.structure import Structure
-from diffpy.structure.structureerrors import StructureFormatError
 from diffpy.structure.parsers import StructureParser
+from diffpy.structure.structureerrors import StructureFormatError
 
 
 class P_pdb(StructureParser):
diff --git a/src/diffpy/structure/parsers/p_pdffit.py b/src/diffpy/structure/parsers/p_pdffit.py
@@ -23,8 +23,8 @@
 import six
 
 from diffpy.structure import Lattice, PDFFitStructure
-from diffpy.structure.structureerrors import StructureFormatError
 from diffpy.structure.parsers import StructureParser
+from diffpy.structure.structureerrors import StructureFormatError
 
 
 class P_pdffit(StructureParser):
diff --git a/src/diffpy/structure/parsers/p_rawxyz.py b/src/diffpy/structure/parsers/p_rawxyz.py
@@ -23,8 +23,8 @@
 import six
 
 from diffpy.structure import Structure
-from diffpy.structure.structureerrors import StructureFormatError
 from diffpy.structure.parsers import StructureParser
+from diffpy.structure.structureerrors import StructureFormatError
 from diffpy.structure.utils import isfloat
 
 
diff --git a/src/diffpy/structure/parsers/p_xcfg.py b/src/diffpy/structure/parsers/p_xcfg.py
@@ -22,8 +22,8 @@
 import six
 
 from diffpy.structure import Structure
-from diffpy.structure.structureerrors import StructureFormatError
 from diffpy.structure.parsers import StructureParser
+from diffpy.structure.structureerrors import StructureFormatError
 from diffpy.structure.utils import isfloat
 
 # Constants ------------------------------------------------------------------
diff --git a/src/diffpy/structure/parsers/p_xyz.py b/src/diffpy/structure/parsers/p_xyz.py
@@ -24,8 +24,8 @@
 import six
 
 from diffpy.structure import Structure
-from diffpy.structure.structureerrors import StructureFormatError
 from diffpy.structure.parsers import StructureParser
+from diffpy.structure.structureerrors import StructureFormatError
 
 
 class P_xyz(StructureParser):
diff --git a/src/diffpy/structure/spacegroups.py b/src/diffpy/structure/spacegroups.py
@@ -16,18 +16,13 @@
 """Space group classes and definitions from mmLib and sgtbx.
 """
 
-import six
-
-from diffpy.structure.mmlibspacegroups import mmLibSpaceGroupList
-from diffpy.structure.sgtbxspacegroups import sgtbxSpaceGroupList
-from diffpy.structure.spacegroupmod import SpaceGroup, SymOp
-
 import copy
-from six.moves import zip_longest
 
-# Import SpaceGroup objects --------------------------------------------------
+import six
+from six.moves import zip_longest
 
 from diffpy.structure.mmlibspacegroups import (
+    mmLibSpaceGroupList,
     sg1,
     sg2,
     sg3,
@@ -544,6 +539,7 @@
     sg16015,
     sg17009,
     sg17015,
+    sgtbxSpaceGroupList,
 )
 from diffpy.structure.spacegroupmod import (
     Rot_mX_mXY_mZ,
@@ -610,6 +606,8 @@
     Rot_Z_X_Y,
     Rot_Z_Y_mX,
     Rot_Z_Y_X,
+    SpaceGroup,
+    SymOp,
     Tr_0_0_0,
     Tr_0_0_12,
     Tr_0_0_13,
@@ -644,6 +642,9 @@
     Tr_34_34_34,
 )
 
+# Import SpaceGroup objects --------------------------------------------------
+
+
 # all spacegroup definitions
 SpaceGroupList = mmLibSpaceGroupList + sgtbxSpaceGroupList
 
diff --git a/src/diffpy/structure/structure.py b/src/diffpy/structure/structure.py
@@ -345,15 +345,22 @@ def extend(self, atoms, copy=None):
                 newatoms = adups
             else:
                 memo = set(id(a) for a in self)
-                def nextatom(a): return (a if id(a) not in memo else copymod.copy(a))
-                def mark(a): return (memo.add(id(a)), a)[-1]
+
+                def nextatom(a):
+                    return a if id(a) not in memo else copymod.copy(a)
+
+                def mark(a):
+                    return (memo.add(id(a)), a)[-1]
+
                 newatoms = (mark(nextatom(a)) for a in atoms)
         elif copy:
             newatoms = adups
         else:
             newatoms = atoms
 
-        def setlat(a): return (setattr(a, "lattice", self.lattice), a)[-1]
+        def setlat(a):
+            return (setattr(a, "lattice", self.lattice), a)[-1]
+
         super(Structure, self).extend(setlat(a) for a in newatoms)
         return
 
diff --git a/src/diffpy/structure/tests/testlattice.py b/src/diffpy/structure/tests/testlattice.py
@@ -58,9 +58,12 @@ def test_setLatPar(self):
 
         from numpy import dot
 
-        def norm(x): return sqrt(sum([xi**2 for xi in x]))
+        def norm(x):
+            return sqrt(sum([xi**2 for xi in x]))
+
+        def cosd(x):
+            return cos(radians(x))
 
-        def cosd(x): return cos(radians(x))
         self.lattice.setLatPar(1.0, 2.0, 3.0, 80, 100, 120)
         base = self.lattice.base
         self.assertAlmostEqual(1.0, norm(base[0]), self.places)
diff --git a/src/diffpy/structure/tests/testp_cif.py b/src/diffpy/structure/tests/testp_cif.py
@@ -22,9 +22,9 @@
 import six
 
 from diffpy.structure import Structure
-from diffpy.structure.structureerrors import StructureFormatError
 from diffpy.structure.parsers import getParser
 from diffpy.structure.parsers.p_cif import P_cif, getSymOp, leading_float
+from diffpy.structure.structureerrors import StructureFormatError
 from diffpy.structure.tests.testutils import datafile
 
 # ----------------------------------------------------------------------------
diff --git a/src/diffpy/structure/utils.py b/src/diffpy/structure/utils.py
@@ -91,10 +91,14 @@ def fset(self, value):
         # replace scalar values, but change array attributes in place
         if numpy.isscalar(v0):
 
-            def setvalue(a, v): return setattr(a, attrname, v)
+            def setvalue(a, v):
+                return setattr(a, attrname, v)
+
         else:
 
-            def setvalue(a, v): return setitem(getattr(a, attrname), _all, v)
+            def setvalue(a, v):
+                return setitem(getattr(a, attrname), _all, v)
+
         # avoid broadcasting if the new value is a scalar
         if numpy.isscalar(value):
             genvalues = repeat(value)
