Black and flake8

.flake8

@@ -0,0 +1,11 @@
+[flake8]
+exclude =
+    .git,
+    __pycache__,
+    build,
+    dist,
+    doc/source/conf.py
+max-line-length = 115
+# Ignore some style 'errors' produced while formatting by 'black'
+# https://black.readthedocs.io/en/stable/guides/using_black_with_other_tools.html#labels-why-pycodestyle-warnings
+extend-ignore = E203

.gitignore

@@ -22,6 +22,10 @@ lib64
 tags
 errors.err
 
+# IDE configs
+.idea
+.vscode
+
 # Installer logs
 pip-log.txt
 MANIFEST

conda-recipe/run_test.py

@@ -1,4 +1,5 @@
 #!/usr/bin/env python
 
 import diffpy.pdffit2.tests
+
 assert diffpy.pdffit2.tests.test().wasSuccessful()

diffpy/__init__.py

@@ -21,6 +21,7 @@
 
 
 from pkgutil import extend_path
+
 __path__ = extend_path(__path__, __name__)
 
 

diffpy/pdffit2/ipy_ext.py

@@ -9,18 +9,18 @@
 
 def load_ipython_extension(ipython):
     from diffpy.pdffit2 import PdfFit
+
     pf = PdfFit()
     pdf = EasyPDFPlotting(pf)
-    print('        Type  help(pdffit)  or  help(topic)  for information.\n')
+    print("        Type  help(pdffit)  or  help(topic)  for information.\n")
     ns = dict(pdffit=PdfFit, pdf=pdf)
     pf._exportAll(ns)
     ipython.user_ns.update(ns)
     return
 
 
 class EasyPDFPlotting(object):
-    """Convenience functions for accessing and plotting PDFfit2 data.
-    """
+    """Convenience functions for accessing and plotting PDFfit2 data."""
 
     def __init__(self, pdffit_instance):
         self._pdffit = pdffit_instance
@@ -55,36 +55,40 @@ def showfit(self, offset=None):
         """
         from matplotlib.pyplot import gca
         from math import floor
+
         cr = self.r
         cGobs = self.Gobs
         cGcalc = self.Gcalc
         cGdiff = self.Gdiff
         if offset is None:
             offset = floor(min([min(cGobs), min(cGcalc)]) - max(cGdiff))
         ax = gca()
-        ax.plot(cr, cGobs, 'r.', cr, cGcalc, 'b-', cr, cGdiff + offset, 'g-')
+        ax.plot(cr, cGobs, "r.", cr, cGcalc, "b-", cr, cGdiff + offset, "g-")
         xl = ax.xaxis.get_label().get_text()
         yl = ax.yaxis.get_label().get_text()
         if xl == "":
-            ax.set_xlabel('r (A)')
+            ax.set_xlabel("r (A)")
         if yl == "":
-            ax.set_ylabel('G (A**-2)')
+            ax.set_ylabel("G (A**-2)")
         return
 
     def showRw(self):
         "Plot cumulative Rw."
         from matplotlib.pyplot import gca
+
         cRw = self._asarray(self._pdffit.getcrw())
         ax = gca()
         ax.plot(self.r, cRw)
-        ax.set_title('Cumulative Rw = %.4f' % cRw[-1])
-        ax.set_xlabel('r')
-        ax.set_ylabel('Rw')
+        ax.set_title("Cumulative Rw = %.4f" % cRw[-1])
+        ax.set_xlabel("r")
+        ax.set_ylabel("Rw")
         return
 
     @staticmethod
     def _asarray(x, dtype=None):
         import numpy
+
         return numpy.asarray(x, dtype=dtype)
 
+
 # End of class EasyPDFPlotting

diffpy/pdffit2/output.py

@@ -21,6 +21,7 @@
 # create module variable stdout
 
 from sys import stdout as stdout
+
 # silence pyflakes checker
 assert stdout
 
@@ -30,9 +31,11 @@ def redirect_stdout(dst):
     The dst value is stored in module variable stdout.
     """
     from diffpy.pdffit2.pdffit2 import redirect_stdout
+
     redirect_stdout(dst)
     global stdout
     stdout = dst
     return
 
+
 #  End of file