Apply pre-commit

Author: bobleesj

tests/conftest.py

@@ -3,10 +3,10 @@
 
 import pytest
 import six
-import diffpy.pdffit2.output  # assuming this is the correct import path
-
 
 import diffpy.pdffit2
+import diffpy.pdffit2.output  # assuming this is the correct import path
+
 
 @pytest.fixture
 def user_filesystem(tmp_path):
@@ -22,6 +22,7 @@ def user_filesystem(tmp_path):
 
     yield tmp_path
 
+
 @pytest.fixture
 def datafile():
     """Fixture to dynamically load any test file."""
@@ -31,6 +32,7 @@ def _load(filename):
 
     return _load
 
+
 @pytest.fixture
 def capture_output():
     """Capture output from pdffit2 engine produced in function call."""
@@ -44,4 +46,5 @@ def _capture(f, *args, **kwargs):
         finally:
             diffpy.pdffit2.redirect_stdout(savestdout)
         return fp.getvalue()
+
     return _capture

tests/test_exceptions.py

@@ -15,6 +15,7 @@
 
 
 import unittest
+
 import pytest
 
 from diffpy.pdffit2 import PdfFit, pdffit2
@@ -24,7 +25,7 @@ class read_structExceptions(unittest.TestCase):
     @pytest.fixture(autouse=True)
     def prepare_fixture(self, datafile):
         self.datafile = datafile
-        
+
     def setUp(self):
         self.P = PdfFit()
 
@@ -49,7 +50,7 @@ class read_dataExceptions(unittest.TestCase):
     @pytest.fixture(autouse=True)
     def prepare_fixture(self, datafile):
         self.datafile = datafile
-        
+
     def setUp(self):
         self.P = PdfFit()
 
@@ -69,7 +70,7 @@ class read_data_listsExceptions(unittest.TestCase):
     @pytest.fixture(autouse=True)
     def prepare_fixture(self, datafile):
         self.datafile = datafile
-        
+
     def setUp(self):
         self.P = PdfFit()
         self.r_data = [0.1, 0.2]
@@ -110,7 +111,7 @@ class pdfrangeExceptions(unittest.TestCase):
     @pytest.fixture(autouse=True)
     def prepare_fixture(self, datafile):
         self.datafile = datafile
-        
+
     def setUp(self):
         self.P = PdfFit()
         self.iset = 1
@@ -139,7 +140,7 @@ class allocExceptions(unittest.TestCase):
     @pytest.fixture(autouse=True)
     def prepare_fixture(self, datafile):
         self.datafile = datafile
-        
+
     def setUp(self):
         self.P = PdfFit()
         self.qmax = 25
@@ -191,7 +192,7 @@ class calcExceptions(unittest.TestCase):
     @pytest.fixture(autouse=True)
     def prepare_fixture(self, datafile):
         self.datafile = datafile
-        
+
     def setUp(self):
         self.P = PdfFit()
         self.P.read_struct(self.datafile("Ni.stru"))
@@ -251,7 +252,7 @@ class save_pdfExceptions(unittest.TestCase):
     @pytest.fixture(autouse=True)
     def prepare_fixture(self, datafile):
         self.datafile = datafile
-        
+
     def setUp(self):
         self.P = PdfFit()
         self.strufile = "temp.pdf"
@@ -275,7 +276,7 @@ class save_difExceptions(unittest.TestCase):
     @pytest.fixture(autouse=True)
     def prepare_fixture(self, datafile):
         self.datafile = datafile
-        
+
     def setUp(self):
         self.P = PdfFit()
         self.strufile = "temp.dif"
@@ -300,7 +301,7 @@ class save_resExceptions(unittest.TestCase):
     @pytest.fixture(autouse=True)
     def prepare_fixture(self, datafile):
         self.datafile = datafile
-        
+
     def setUp(self):
         self.P = PdfFit()
         self.resfile = "temp.res"
@@ -327,7 +328,7 @@ class save_structExceptions(unittest.TestCase):
     @pytest.fixture(autouse=True)
     def prepare_fixture(self, datafile):
         self.datafile = datafile
-        
+
     # Same code as show_struct
 
     def setUp(self):
@@ -351,7 +352,7 @@ class constrainExceptions(unittest.TestCase):
     @pytest.fixture(autouse=True)
     def prepare_fixture(self, datafile):
         self.datafile = datafile
-        
+
     def setUp(self):
         self.P = PdfFit()
         self.par = 1
@@ -396,7 +397,7 @@ class setvarExceptions(unittest.TestCase):
     @pytest.fixture(autouse=True)
     def prepare_fixture(self, datafile):
         self.datafile = datafile
-        
+
     def setUp(self):
         self.P = PdfFit()
         self.val = 3.0
@@ -418,7 +419,7 @@ class getvarExceptions(unittest.TestCase):
     @pytest.fixture(autouse=True)
     def prepare_fixture(self, datafile):
         self.datafile = datafile
-        
+
     def setUp(self):
         self.P = PdfFit()
 
@@ -499,7 +500,7 @@ class getparExceptions(unittest.TestCase):
     @pytest.fixture(autouse=True)
     def prepare_fixture(self, datafile):
         self.datafile = datafile
-        
+
     def setUp(self):
         self.P = PdfFit()
 
@@ -538,7 +539,7 @@ class pdeselExceptions(unittest.TestCase):
     @pytest.fixture(autouse=True)
     def prepare_fixture(self, datafile):
         self.datafile = datafile
-        
+
     def setUp(self):
         self.P = PdfFit()
         self.ip = 1
@@ -560,7 +561,7 @@ class selectAtomTypeExceptions(unittest.TestCase):
     @pytest.fixture(autouse=True)
     def prepare_fixture(self, datafile):
         self.datafile = datafile
-        
+
     def setUp(self):
         self.P = PdfFit()
         self.iset = 1
@@ -596,7 +597,7 @@ class selectAtomIndexExceptions(unittest.TestCase):
     @pytest.fixture(autouse=True)
     def prepare_fixture(self, datafile):
         self.datafile = datafile
-        
+
     def setUp(self):
         self.P = PdfFit()
         self.iset = 1
@@ -630,7 +631,7 @@ class selectAllExceptions(unittest.TestCase):
     @pytest.fixture(autouse=True)
     def prepare_fixture(self, datafile):
         self.datafile = datafile
-        
+
     def setUp(self):
         self.P = PdfFit()
         self.iset = 1
@@ -661,7 +662,7 @@ class selectNoneExceptions(unittest.TestCase):
     @pytest.fixture(autouse=True)
     def prepare_fixture(self, datafile):
         self.datafile = datafile
-        
+
     def setUp(self):
         self.P = PdfFit()
         self.iset = 1
@@ -692,7 +693,7 @@ class bangExceptions(unittest.TestCase):
     @pytest.fixture(autouse=True)
     def prepare_fixture(self, datafile):
         self.datafile = datafile
-        
+
     def setUp(self):
         self.P = PdfFit()
         self.a1 = 1
@@ -727,7 +728,7 @@ class blenExceptions(unittest.TestCase):
     @pytest.fixture(autouse=True)
     def prepare_fixture(self, datafile):
         self.datafile = datafile
-        
+
     def setUp(self):
         self.P = PdfFit()
         self.a1 = 1
@@ -803,7 +804,7 @@ class fixparExceptions(unittest.TestCase):
     @pytest.fixture(autouse=True)
     def prepare_fixture(self, datafile):
         self.datafile = datafile
-        
+
     def setUp(self):
         self.P = PdfFit()
 
@@ -821,7 +822,7 @@ class freeparExceptions(unittest.TestCase):
     @pytest.fixture(autouse=True)
     def prepare_fixture(self, datafile):
         self.datafile = datafile
-        
+
     def setUp(self):
         self.P = PdfFit()
 
@@ -839,7 +840,7 @@ class setphaseExceptions(unittest.TestCase):
     @pytest.fixture(autouse=True)
     def prepare_fixture(self, datafile):
         self.datafile = datafile
-        
+
     def setUp(self):
         self.P = PdfFit()
 
@@ -857,7 +858,7 @@ class setdataExceptions(unittest.TestCase):
     @pytest.fixture(autouse=True)
     def prepare_fixture(self, datafile):
         self.datafile = datafile
-        
+
     def setUp(self):
         self.P = PdfFit()
 

tests/test_pdffit.py

@@ -4,7 +4,9 @@
 """
 
 import unittest
+
 import pytest
+
 from diffpy.pdffit2 import PdfFit, pdffit2
 from diffpy.structure import loadStructure
 
@@ -18,7 +20,7 @@ class TestPdfFit(unittest.TestCase):
     def prepare_fixture(self, datafile, capture_output):
         self.datafile = datafile
         self.capture_output = capture_output
-        
+
     def setUp(self):
         self.P = PdfFit()
         return

tests/test_phase_fractions.py

@@ -4,7 +4,9 @@
 """
 
 import unittest
+
 import pytest
+
 from diffpy.pdffit2 import PdfFit
 
 

tests/test_shape_factors.py

@@ -5,8 +5,9 @@
 
 
 import unittest
-import pytest
+
 import numpy
+import pytest
 
 from diffpy.pdffit2 import PdfFit, pdffit2
 
@@ -29,6 +30,7 @@ def spherefactor(r, d):
 class TestSphereEnvelope(unittest.TestCase):
 
     places = 6
+
     @pytest.fixture(autouse=True)
     def prepare_fixture(self, datafile):
         self.datafile = datafile