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

Author: pre-commit-ci[bot]

src/diffpy/morph/morph_helpers/transformpdftordf.py

@@ -14,7 +14,6 @@
 ##############################################################################
 """Class TransformXtalPDFtoRDF -- Transform crystal PDFs to RDFs."""
 
-
 from diffpy.morph.morphs.morph import LABEL_GR, LABEL_RA, LABEL_RR, Morph
 
 

src/diffpy/morph/morph_helpers/transformrdftopdf.py

@@ -14,7 +14,6 @@
 ##############################################################################
 """Class TransformXtalRDFtoPDF -- Transform crystal RDFs to PDFs."""
 
-
 import numpy
 
 from diffpy.morph.morphs.morph import LABEL_GR, LABEL_RA, LABEL_RR, Morph

src/diffpy/morph/morph_io.py

@@ -155,7 +155,6 @@ def single_morph_output(
     stdout_flag: bool
         Print to terminal when True (default False).
     """
-
     # Input and output parameters
     morphs_in = "\n# Input morphing parameters:\n"
     morphs_in += (
@@ -302,7 +301,6 @@ def get_multisave_names(target_list: list, save_names_file=None, mm=False):
         The names to save each morph as. Keys are the target function file
         names used to produce that morph.
     """
-
     # Dictionary storing save file names
     save_names = {}
 
@@ -382,7 +380,6 @@ def multiple_morph_output(
         Multiple morphs done with a single target rather than multiple
         targets for a single morphed file. Swaps morph and target in the code.
     """
-
     # Input parameters used for every morph
     inputs = "\n# Input morphing parameters:\n"
     inputs += "\n".join(
@@ -480,7 +477,6 @@ def tabulate_results(multiple_morph_results):
         Keys in tabulated_results are the table's column names and each
         corresponding value is a list of data for that column.
     """
-
     # We only care about the following parameters in our data tables
     relevant_parameters = ["Scale", "Smear", "Stretch", "Pearson", "Rw"]
 

src/diffpy/morph/morphapp.py

@@ -242,7 +242,7 @@ def morph_error(self, msg, error):
         help=(
             "Slope of the baseline. "
             "For a bulk material with scale factor 1, "
-            "this will have value -4\u03C0 times the atomic density. "
+            "this will have value -4\u03c0 times the atomic density. "
             "Otherwise, you can estimate it by dividing the y "
             "position from the x position "
             "of the base of the first peak. "
@@ -334,7 +334,8 @@ def morph_error(self, msg, error):
         "--noplot",
         action="store_false",
         dest="plot",
-        help="""Do not show a plot.""",
+        help="""Do not show a plot."""
+                                      ,
     )
     group.add_option(
         "--mlabel",
@@ -446,7 +447,9 @@ def morph_error(self, msg, error):
         "--reverse",
         dest="reverse",
         action="store_true",
-        help="""Sort from highest to lowest instead.""",
+        help=\
+             """Sort from highest to lowest instead."""
+                                                       ,
     )
     group.add_option(
         "--serial-file",
@@ -1278,7 +1281,7 @@ def getPDFFromFile(fn):
 
 def main():
     parser = create_option_parser()
-    (opts, pargs) = parser.parse_args()
+    opts, pargs = parser.parse_args()
     if opts.multiple_targets:
         multiple_targets(parser, opts, pargs, stdout_flag=True)
     elif opts.multiple_morphs:

src/diffpy/morph/morphpy.py

@@ -22,7 +22,7 @@ def get_args(parser, params, kwargs):
             else:
                 inputs.append(f"--{key}")
                 inputs.append(f"{value}")
-    (opts, pargs) = parser.parse_args(inputs)
+    opts, pargs = parser.parse_args(inputs)
     return opts, pargs
 
 

src/diffpy/morph/morphs/__init__.py

@@ -14,7 +14,6 @@
 ##############################################################################
 """Definition of morphs."""
 
-
 from diffpy.morph.morphs.morph import Morph  # noqa: F401
 from diffpy.morph.morphs.morphchain import MorphChain  # noqa: F401
 from diffpy.morph.morphs.morphfuncx import MorphFuncx

src/diffpy/morph/morphs/morph.py

@@ -13,6 +13,7 @@
 #
 ##############################################################################
 """Morph -- base class for defining a morph."""
+
 import numpy
 
 LABEL_RA = "r (A)"  # r-grid
@@ -189,9 +190,10 @@ def applyConfig(self, config):
         return
 
     def checkConfig(self):
-        """Verify data in self.config. No action by default.
+        """Verify data in self.config.
 
-        To be overridden in a derived class.
+        No action by default.         To be overridden in a derived
+        class.
         """
         return
 
@@ -257,7 +259,6 @@ def set_extrapolation_info(self, x_true, x_extrapolate):
         x_extrapolate : array
             x values after a morphing process
         """
-
         cutoff_low = min(x_true)
         extrap_low_x = numpy.where(x_extrapolate < cutoff_low)[0]
         is_extrap_low = False if len(extrap_low_x) == 0 else True

src/diffpy/morph/morphs/morphchain.py

@@ -12,9 +12,7 @@
 # See LICENSE.txt for license information.
 #
 ##############################################################################
-"""MorphChain -- Chain of morphs executed in order.
-"""
-
+"""MorphChain -- Chain of morphs executed in order."""
 
 class MorphChain(list):
     """Class for chaining morphs together.

src/diffpy/morph/morphs/morphishape.py

@@ -15,7 +15,6 @@
 """Class MorphISphere -- apply inverse spherical shape function class
 MorphISpheroid -- apply inverse spheroidal shape function."""
 
-
 import numpy
 
 from diffpy.morph.morphs.morph import LABEL_GR, LABEL_RA, Morph

src/diffpy/morph/morphs/morphresolution.py

@@ -15,7 +15,6 @@
 """Class MorphResolutionDamping -- apply resolution broadening to the
 morph."""
 
-
 import numpy
 
 from diffpy.morph.morphs.morph import LABEL_RA, LABEL_RR, Morph