Flake8 fixes pt3

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/pdfgui/gui/bondangledialog.py

@@ -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/bondlengthdialog.py

@@ -4,7 +4,7 @@
 #
 # PDFgui            by DANSE Diffraction group
 #                   Simon J. L. Billinge
-#                   (c) 2007 trustees of the Michigan State University.
+#                   (c) 2007-2024 trustees of the Michigan State University.
 #                   All rights reserved.
 #
 # File coded by:    Chris Farrow
@@ -219,8 +219,8 @@ def onSpin(self, event):  # wxGlade: BondLengthDialog.<event_handler>
         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/phaseconfigurepanel.py

@@ -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():
@@ -393,7 +393,7 @@ def applyTextCtrlChange(self, id, value):
 
             return value
 
-        except:
+        except ValueError:
             return None
 
     def applyCellChange(self, i, j, value):

src/diffpy/pdfgui/gui/phaseconstraintspanel.py

@@ -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()
@@ -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):

src/diffpy/pdfgui/gui/rseriespanel.py

@@ -32,7 +32,10 @@ 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.",
         )
         self.maxFirstLabel = wx.StaticText(self, wx.ID_ANY, "first")
         self.maxFirstTextCtrl = wx.TextCtrl(self, wx.ID_ANY, "")

src/diffpy/pdfgui/gui/sgconstraindialog.py

@@ -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

@@ -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/temperatureseriespanel.py

@@ -18,7 +18,6 @@
 
 import os.path
 import re
-import sys
 
 import wx
 
@@ -29,6 +28,10 @@
 from diffpy.pdfgui.utils import numericStringSort
 
 
+def temperature_sortkey(tf):
+    return float(tf[0])
+
+
 class TemperatureSeriesPanel(wx.Panel, PDFPanel):
     def __init__(self, *args, **kwds):
         PDFPanel.__init__(self)
@@ -41,7 +44,9 @@ 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.",
         )
         self.instructionsLabel.SetFont(
             wx.Font(
@@ -201,7 +206,14 @@ 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|*"
+        )
         d = wx.FileDialog(
             None,
             "Choose files",
@@ -288,18 +300,26 @@ def onDelete(self, event):  # wxGlade: TemperatureSeriesPanel.<event_handler>
         self.fillList()
         return
 
+    def create_filename_order(self):
+        filenames = [f for t, f in self.datasets]
+        numericStringSort(filenames)
+        self.filename_order = dict(zip(filenames, range(len(filenames))))
+        return
+
+    def filename_sortkey(self, tf):
+        return self.filename_order[tf[1]]
+
     def onColClick(self, event):  # wxGlade: TemperatureSeriesPanel.<event_handler>
         """Sort by temperature."""
         column = event.GetColumn()
         # sort by temperature
         if column == 0:
-            sortkey = lambda tf: float(tf[0])
+            sortkey = temperature_sortkey()
         # 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]]
+            self.create_filename_order()
+            sortkey = self.filename_sortkey()
+
         # ignore unhandled columns
         else:
             return
@@ -308,7 +328,7 @@ 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 +345,7 @@ 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 +354,7 @@ 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.