Merge pull request #70 from Tieqiong/flake8

fix Flake8

Author: sbillinge

devutils/makesdist

@@ -11,11 +11,11 @@ import subprocess
 import sys
 import tarfile
 
+from setup import FALLBACK_VERSION, versiondata
+
 BASEDIR = os.path.dirname(os.path.dirname(os.path.realpath(__file__)))
 sys.path.insert(0, BASEDIR)
 
-from setup import FALLBACK_VERSION, versiondata
-
 timestamp = versiondata.getint("DEFAULT", "timestamp")
 
 vfb = versiondata.get("DEFAULT", "version").split(".post")[0] + ".post0"

src/diffpy/structure/__init__.py

@@ -29,17 +29,16 @@
 
 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
 
-# obtain version information
-
-"""Crystal structure container and parsers for structure formats."""
-
 # package version
 from diffpy.structure.version import __version__
 
+"""Crystal structure container and parsers for structure formats."""
+
 # top level routines
 
 
@@ -68,7 +67,6 @@ def loadStructure(filename, fmt="auto", **kw):
         Return a more specific PDFFitStructure type for 'pdffit'
         and 'discus' formats.
     """
-    from diffpy.structure.parsers import getParser
 
     p = getParser(fmt, **kw)
     rv = p.parseFile(filename)

src/diffpy/structure/apps/anyeye.py

@@ -40,7 +40,7 @@
 import signal
 import sys
 
-from diffpy.structure import StructureFormatError
+from diffpy.structure.structureerrors import StructureFormatError
 
 # parameter dictionary
 pd = {

src/diffpy/structure/apps/transtru.py

@@ -35,7 +35,8 @@
 
 import sys
 
-from diffpy.structure import Structure, StructureFormatError
+from diffpy.structure import Structure
+from diffpy.structure.structureerrors import StructureFormatError
 
 
 def usage(style=None):

src/diffpy/structure/mmlibspacegroups.py

@@ -1,8 +1,8 @@
 #!/usr/bin/env python
-## Copyright 2002 by PyMMLib Development Group, http://pymmlib.sourceforge.net/
-## This code is part of the PyMMLib distribution and governed by
-## its license.  Please see the LICENSE_pymmlib file that should have been
-## included as part of this package.
+# Copyright 2002 by PyMMLib Development Group, http://pymmlib.sourceforge.net/
+# This code is part of the PyMMLib distribution and governed by
+# its license.  Please see the LICENSE_pymmlib file that should have been
+# included as part of this package.
 """Space groups defined as a part of the pymmlib.
 """
 
@@ -107,7 +107,7 @@
     Tr_34_34_34,
 )
 
-## spacegroup definitions
+# spacegroup definitions
 sg1 = SpaceGroup(
     number=1,
     num_sym_equiv=1,
@@ -7884,7 +7884,7 @@
 )
 
 
-## list of the space groups
+# list of the space groups
 mmLibSpaceGroupList = [
     sg1,
     sg2,

src/diffpy/structure/parsers/__init__.py

@@ -31,9 +31,9 @@
     outputFormats   -- list of available output formats
 """
 
-from diffpy.structure 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

src/diffpy/structure/parsers/p_auto.py

@@ -20,8 +20,8 @@
 
 import os
 
-from diffpy.structure import StructureFormatError
 from diffpy.structure.parsers import StructureParser, parser_index
+from diffpy.structure.structureerrors import StructureFormatError
 
 
 class P_auto(StructureParser):

src/diffpy/structure/parsers/p_cif.py

@@ -25,8 +25,9 @@
 import numpy
 import six
 
-from diffpy.structure import Atom, Lattice, Structure, StructureFormatError
+from diffpy.structure import Atom, Lattice, Structure
 from diffpy.structure.parsers import StructureParser
+from diffpy.structure.structureerrors import StructureFormatError
 
 # ----------------------------------------------------------------------------
 
@@ -460,7 +461,7 @@ def _parse_atom_site_aniso_label(self, block):
                 break
             idx = self.labelindex[lb]
             a = self.stru[idx]
-            if not lb in self.anisotropy:
+            if lb not in self.anisotropy:
                 a.anisotropy = True
                 self.anisotropy[lb] = True
             for fset, val in zip(prop_setters, values):
@@ -544,7 +545,7 @@ def _expandAsymmetricUnit(self, block):
         # setup anisotropy according to symmetry requirements
         # unless it was already explicitly set
         for ca, uisotropy in zip(self.stru, self.eau.Uisotropy):
-            if not ca.label in self.anisotropy:
+            if ca.label not in self.anisotropy:
                 ca.anisotropy = not uisotropy
                 self.anisotropy[ca.label] = ca.anisotropy
         # build a nested list of new atoms:

src/diffpy/structure/parsers/p_discus.py

@@ -21,8 +21,9 @@
 
 import six
 
-from diffpy.structure import Lattice, PDFFitStructure, StructureFormatError
+from diffpy.structure import Lattice, PDFFitStructure
 from diffpy.structure.parsers import StructureParser
+from diffpy.structure.structureerrors import StructureFormatError
 
 
 class P_discus(StructureParser):

src/diffpy/structure/parsers/p_pdb.py

@@ -27,8 +27,9 @@
 import six
 from numpy import pi
 
-from diffpy.structure import Structure, StructureFormatError
+from diffpy.structure import Structure
 from diffpy.structure.parsers import StructureParser
+from diffpy.structure.structureerrors import StructureFormatError
 
 
 class P_pdb(StructureParser):