skpkg: docformatter

Author: TingwenZhang

src/diffpy/structure/__init__.py

@@ -12,9 +12,7 @@
 # See LICENSE.rst for license information.
 #
 ##############################################################################
-
-"""
-Crystal structure container and parsers for structure formats.
+"""Crystal structure container and parsers for structure formats.
 
 Classes related to the structure of materials:
     * Atom

src/diffpy/structure/_legacy_importer.py

@@ -12,9 +12,8 @@
 # See LICENSE.txt for license information.
 #
 ##############################################################################
-
-"""
-Support import of old camel-case module names with DeprecationWarning.
+"""Support import of old camel-case module names with
+DeprecationWarning.
 
 The imported camel-case modules are aliases for the current module
 instances. Their `__name__` attributes are thus all in lower-case.
@@ -61,6 +60,7 @@ def find_spec(self, fullname, path=None, target=None):
 
 class MapRenamedStructureModule(importlib.abc.Loader):
     """Loader for old camel-case module names.
+
     Import the current module and alias it under the old name.
     """
 

src/diffpy/structure/apps/__init__.py

@@ -12,5 +12,4 @@
 # See LICENSE_DANSE.txt for license information.
 #
 ##############################################################################
-
 """Script applications that use the `diffpy.structure` package."""

src/diffpy/structure/apps/anyeye.py

@@ -12,9 +12,7 @@
 # See LICENSE_DANSE.txt for license information.
 #
 ##############################################################################
-
-"""
-Anyeye view structure file in atomeye.
+"""Anyeye view structure file in atomeye.
 
 Usage: ``anyeye [options] strufile``
 
@@ -65,7 +63,8 @@
 
 
 def usage(style=None):
-    """Show usage info, for ``style=="brief"`` show only first 2 lines."""
+    """Show usage info, for ``style=="brief"`` show only first 2
+    lines."""
     import os.path
 
     myname = os.path.basename(sys.argv[0])
@@ -175,7 +174,7 @@ def cleanUp(pd):
 
 
 def parseFormula(formula):
-    """Parse chemical formula and return a list of elements"""
+    """Parse chemical formula and return a list of elements."""
     # remove all blanks
     formula = re.sub(r"\s", "", formula)
     if not re.match("^[A-Z]", formula):

src/diffpy/structure/apps/transtru.py

@@ -12,7 +12,6 @@
 # See LICENSE_DANSE.txt for license information.
 #
 ##############################################################################
-
 """Translate structure file to different format.
 
 Usage: ``transtru INFMT..OUTFMT strufile``
@@ -44,7 +43,8 @@
 
 
 def usage(style=None):
-    """Show usage info, for ``style=="brief"`` show only first 2 lines."""
+    """Show usage info, for ``style=="brief"`` show only first 2
+    lines."""
     import os.path
 
     myname = os.path.basename(sys.argv[0])

src/diffpy/structure/atom.py

@@ -12,10 +12,8 @@
 # See LICENSE_DANSE.txt for license information.
 #
 ##############################################################################
-
-"""
-Provide class Atom for managing properties of an atom in structure model.
-"""
+"""Provide class Atom for managing properties of an atom in structure
+model."""
 
 import numpy
 
@@ -176,7 +174,8 @@ def msdLat(self, vl):
         return msd
 
     def msdCart(self, vc):
-        """Calculate mean square displacement along the Cartesian vector.
+        """Calculate mean square displacement along the Cartesian
+        vector.
 
         Parameters
         ----------
@@ -252,7 +251,8 @@ def __copy__(self, target=None):
 
     @property
     def xyz_cartn(self):
-        """numpy.ndarray: Atom position in absolute Cartesian coordinates.
+        """numpy.ndarray: Atom position in absolute Cartesian
+        coordinates.
 
         This is computed from fractional coordinates `xyz` and the
         current `lattice` setup. Assignment to *xyz_cartn* or
@@ -301,7 +301,8 @@ def anisotropy(self, value):
 
     @property
     def U(self):
-        """numpy.ndarray : The 3x3 matrix of anisotropic atomic displacements.
+        """numpy.ndarray : The 3x3 matrix of anisotropic atomic
+        displacements.
 
         For isotropic displacements (when `anisotropy` is ``False``)
         assignment to *U* uses only the first ``Unew[0, 0]`` element
@@ -537,7 +538,8 @@ def __setitem__(self, idx, value):
         return
 
     def __array_wrap__(self, out_arr, context=None, return_scalar=None):
-        """Ensure math operations on this type yield standard numpy array."""
+        """Ensure math operations on this type yield standard numpy
+        array."""
         return out_arr.view(numpy.ndarray)
 
 

src/diffpy/structure/expansion/__init__.py

@@ -12,7 +12,6 @@
 # See LICENSE_DANSE.txt for license information.
 #
 ##############################################################################
-
 """Methods and classes for manipulating `Structure` instances.
 
 Package content:

src/diffpy/structure/expansion/makeellipsoid.py

@@ -12,7 +12,6 @@
 # See LICENSE_DANSE.txt for license information.
 #
 ##############################################################################
-
 """Make a spheroid nanoparticle from a template structure."""
 
 from math import ceil
@@ -42,8 +41,7 @@ def makeSphere(S, radius):
 
 
 def makeEllipsoid(S, a, b=None, c=None):
-    """
-    Cut a `Structure` out of another one.
+    """Cut a `Structure` out of another one.
 
     Parameters
     ----------

src/diffpy/structure/expansion/shapeutils.py

@@ -12,7 +12,6 @@
 # See LICENSE_DANSE.txt for license information.
 #
 ##############################################################################
-
 """Utilities for making shapes."""
 
 

src/diffpy/structure/expansion/supercell_mod.py

@@ -12,17 +12,16 @@
 # See LICENSE_DANSE.txt for license information.
 #
 ##############################################################################
-
-"""This module contains functions for simple `Structure` manipulation."""
+"""This module contains functions for simple `Structure`
+manipulation."""
 
 import numpy
 
 from diffpy.structure import Atom, Structure
 
 
 def supercell(S, mno):
-    """
-    Perform supercell expansion for a `Structure`.
+    """Perform supercell expansion for a `Structure`.
 
     New `lattice` parameters are multiplied and fractional coordinates
     divided by corresponding multiplier. New `Atoms` are grouped with