pre-commit errors in comments

.coveragerc

@@ -3,20 +3,20 @@
 [report]
 # RE patterns for lines to be excluded from consideration.
 exclude_lines =
-    ## Have to re-enable the standard pragma
+    #  Have to re-enable the standard pragma
     pragma: no cover
-    ## Don't complain if tests don't hit defensive assertion code:
+    #  Don't complain if tests don't hit defensive assertion code:
     raise AssertionError
     raise NotImplementedError
     ^[ ]*assert False
 
-    ## Don't complain if non-runnable code isn't run:
+    #  Don't complain if non-runnable code isn't run:
     ^[ ]*@unittest.skip\b
     ^[ ]{4}unittest.main()
     if __name__ == .__main__.:
 
 
 [run]
 omit =
-    ## exclude debug.py from codecov report
+    #  exclude debug.py from codecov report
     */tests/debug.py

src/diffpy/pdfgui/gui/bondangledialog.py

@@ -79,7 +79,7 @@ def __do_layout(self):
         self.Layout()
         # end wxGlade
 
-    ###########################################################################
+    # #########################################################################
 
     def __customProperties(self):
         """Set the custom properties."""
@@ -138,8 +138,8 @@ def onSpin(self, event):
         loop = True
         while loop:
             loop = False
-            for l in letters:
-                if newval == getattr(self, l):
+            for letter in letters:
+                if newval == getattr(self, letter):
                     loop = True
                     if increasing:
                         newval += 1

src/diffpy/pdfgui/gui/parameterspanel.py

@@ -98,7 +98,7 @@ def __do_layout(self):
         self.Layout()
         # end wxGlade
 
-    ##########################################################################
+    # ########################################################################
     # Misc Methods
 
     def __customProperties(self):

src/diffpy/pdfgui/gui/phaseconfigurepanel.py

@@ -221,7 +221,7 @@ def __init__(self, *args, **kwds):
         # end wxGlade
         self.__customProperties()
 
-    ##########################################################################
+    # ########################################################################
     # Misc Methods
 
     def __customProperties(self):
@@ -319,7 +319,7 @@ def restrictConstrainedParameters(self):
         """Set 'read-only' boxes that correspond to constrained parameters."""
 
         self.setToolTips(tooltips.phasepanel)
-        txtbg = self.textCtrlA.DefaultStyle.BackgroundColour
+        self.textCtrlA.DefaultStyle.BackgroundColour
 
         # First the TextCtrls
         for key, var in self.lConstraintsMap.items():
@@ -447,7 +447,7 @@ def applyCellChange(self, i, j, value):
         except ValueError:
             return
 
-    ##########################################################################
+    # ########################################################################
     # Event Handlers
 
     # TextCtrl Events
@@ -629,7 +629,7 @@ def onKey(self, event):
 
         return
 
-    ##########################################################################
+    # ########################################################################
     # Grid popup menu and handlers
 
     def popupMenu(self, window, x, y):

src/diffpy/pdfgui/gui/phaseconstraintspanel.py

@@ -210,7 +210,7 @@ def __init__(self, *args, **kwds):
         # end wxGlade
         self.__customProperties()
 
-    ##########################################################################
+    # ########################################################################
     # Misc Methods
 
     def __customProperties(self):
@@ -314,7 +314,7 @@ def refresh(self):
 
         self.refreshTextCtrls()
 
-        ### update the grid ###
+        # # update the grid ###
         natoms = len(self.structure)
         nrows = self.gridAtoms.GetNumberRows()
         self.gridAtoms.BeginBatch()
@@ -339,7 +339,7 @@ def refresh(self):
             if not m:
                 continue
             barevar = m.group(1)
-            if not barevar in bareAtomVarColumn:
+            if barevar not in bareAtomVarColumn:
                 continue
             column = bareAtomVarColumn[barevar]
             row = int(m.group(2)) - 1
@@ -348,7 +348,7 @@ def refresh(self):
                 raise ControlValueError(emsg)
             self.gridAtoms.SetCellValue(row, column, con.formula)
             barevar = re.sub(r"\(\d+\)$", "", var)
-            if not barevar in bareAtomVarColumn:
+            if barevar not in bareAtomVarColumn:
                 continue
 
         self.gridAtoms.AutosizeLabels()
@@ -411,7 +411,7 @@ def applyCellChange(self, i, j, value):
             return ""
         return
 
-    ##########################################################################
+    # ########################################################################
     # Event Handlers
 
     # TextCtrl Events
@@ -554,12 +554,12 @@ def onKey(self, event):
             self.mainFrame.needsSave()
 
         # Can't get these to work. Maybe later.
-        ## Copy - Ctrl+C / Ctrl+Insert
+        #  Copy - Ctrl+C / Ctrl+Insert
         # if event.ControlDown() and (key == 67 or key == wx.WXK_INSERT):
         #    if phasepanelutils.canCopySelectedCells(self):
         #        phasepanelutils.copySelectedCells(self)
 
-        ## Paste - Ctrl+V / Shift+Insert
+        #  Paste - Ctrl+V / Shift+Insert
         # if (event.ControlDown() and key == 86) or\
         #   (event.ShiftDown() and key == wx.WXK_INSERT):
         #       if phasepanelutils.canPasteIntoCells(self):
@@ -569,7 +569,7 @@ def onKey(self, event):
             event.Skip()
         return
 
-    ##########################################################################
+    # ########################################################################
     # Grid popup menu and handlers
 
     def popupMenu(self, window, x, y):

src/diffpy/pdfgui/gui/phaseresultspanel.py

@@ -198,7 +198,7 @@ def __init__(self, *args, **kwds):
         self.__customProperties()
         return
 
-    ##########################################################################
+    # ########################################################################
     # Misc Methods
 
     def __customProperties(self):

src/diffpy/pdfgui/gui/rseriespanel.py

@@ -32,7 +32,7 @@ def __init__(self, *args, **kwds):
         self.instructionsLabel = wx.StaticText(
             self,
             wx.ID_ANY,
-            "Select a fit from the tree on the left and set the first value, last value, \nand the step size of the maximum and/or minimum of the fit range\nbelow. If you have not set up a fit to be the template for the series, hit\ncancel and rerun this macro once a fit has been created.",
+            "Select a fit from the tree on the left and set the first value, last value, \nand the step size of the maximum and/or minimum of the fit range\nbelow. If you have not set up a fit to be the template for the series, hit\ncancel and rerun this macro once a fit has been created.",  # noqa: E501
         )
         self.maxFirstLabel = wx.StaticText(self, wx.ID_ANY, "first")
         self.maxFirstTextCtrl = wx.TextCtrl(self, wx.ID_ANY, "")
@@ -101,7 +101,7 @@ def __do_layout(self):
         self.Layout()
         # end wxGlade
 
-    ##################################################
+    # ################################################
     def __customProperties(self):
         """Set the custom properties of this panel."""
         self.fit = None

src/diffpy/pdfgui/gui/sgconstraindialog.py

@@ -101,7 +101,7 @@ def __init__(self, *args, **kwds):
         # end wxGlade
         self.__customProperties()
 
-    ###########################################################################
+    # #########################################################################
 
     def __customProperties(self):
         """Set the custom properties."""
@@ -204,7 +204,7 @@ def updateWidgets(self):
             raise ControlValueError(error)
         return
 
-    ### Events
+    # # Events
 
     def onKillFocus(self, event):
         """Check value of widgets and update the dialog message."""

src/diffpy/pdfgui/gui/sgstructuredialog.py

@@ -91,7 +91,7 @@ def __init__(self, *args, **kwds):
         # end wxGlade
         self.__customProperties()
 
-    ###########################################################################
+    # #########################################################################
 
     def __customProperties(self):
         """Set the custom properties."""
@@ -195,7 +195,7 @@ def updateWidgets(self):
             raise ControlValueError(error)
         return
 
-    ### Events
+    # # Events
     def onKillFocus(self, event):
         """Check value of widgets and update the dialog message."""
         self.updateWidgets()

src/diffpy/pdfgui/gui/supercelldialog.py

@@ -74,7 +74,7 @@ def __do_layout(self):
         self.Layout()
         # end wxGlade
 
-    ############################################################################
+    # ##########################################################################
 
     def __customProperties(self):
         """Set custom properties."""

src/diffpy/pdfgui/gui/temperatureseriespanel.py

@@ -18,7 +18,6 @@
 
 import os.path
 import re
-import sys
 
 import wx
 
@@ -41,7 +40,7 @@ def __init__(self, *args, **kwds):
         self.instructionsLabel = wx.StaticText(
             self,
             wx.ID_ANY,
-            "Select a fit from the tree on the left then add datasets and assign\ntemperatues below. If you have not set up a fit to be the template\nfor the series, hit cancel and rerun this macro once a fit has been\ncreated.",
+            "Select a fit from the tree on the left then add datasets and assign\ntemperatues below. If you have not set up a fit to be the template\nfor the series, hit cancel and rerun this macro once a fit has been\ncreated.",  # noqa: E501
         )
         self.instructionsLabel.SetFont(
             wx.Font(
@@ -201,7 +200,7 @@ def onAdd(self, event):  # wxGlade: TemperatureSeriesPanel.<event_handler>
         if not dir:
             dir = self.mainFrame.workpath
 
-        matchstring = "PDF data files (*.gr)|*.gr|PDF fit files (*.fgr)|*.fgr|PDF fit files (*.fit)|*.fit|PDF calculation files (*.cgr)|*.cgr|PDF calculation files (*.calc)|*.calc|All Files|*"
+        matchstring = "PDF data files (*.gr)|*.gr|PDF fit files (*.fgr)|*.fgr|PDF fit files (*.fit)|*.fit|PDF calculation files (*.cgr)|*.cgr|PDF calculation files (*.calc)|*.calc|All Files|*"  # noqa: E501
         d = wx.FileDialog(
             None,
             "Choose files",
@@ -293,13 +292,13 @@ def onColClick(self, event):  # wxGlade: TemperatureSeriesPanel.<event_handler>
         column = event.GetColumn()
         # sort by temperature
         if column == 0:
-            sortkey = lambda tf: float(tf[0])
+            sortkey = lambda tf: float(tf[0])  # noqa: E731
         # sort by filename with numerical comparison of digits
         elif column == 1:
             filenames = [f for t, f in self.datasets]
             numericStringSort(filenames)
             order = dict(zip(filenames, range(len(filenames))))
-            sortkey = lambda tf: order[tf[1]]
+            sortkey = lambda tf: order[tf[1]]  # noqa: E731
         # ignore unhandled columns
         else:
             return
@@ -308,7 +307,7 @@ def onColClick(self, event):  # wxGlade: TemperatureSeriesPanel.<event_handler>
         self.fillList()
         return
 
-    ## Utility functions
+    #  Utility functions
     def fillList(self):
         """Fill the list with the datasets."""
         self.listCtrlFiles.DeleteAllItems()
@@ -325,7 +324,7 @@ def fillList(self):
             self.listCtrlFiles.SetItem(index, 1, shortname)
         return
 
-    ## Needed by mainframe
+    #  Needed by mainframe
     def treeSelectionUpdate(self, node):
         """Set the current fit when the tree selection changes."""
         nodetype = self.treeCtrlMain.GetNodeType(node)
@@ -334,7 +333,7 @@ def treeSelectionUpdate(self, node):
         self.refresh()
         return
 
-    ## Required by PDFPanel
+    #  Required by PDFPanel
     def refresh(self):
         """Block out OK button if there is no fit.