Merge pull request #100 from diffpy/next

v2.0.3

CHANGELOG.md

@@ -2,7 +2,7 @@
 
 Notable differences from version 1.1.2.
 
-## Version 2.0.2 – 2023-05-14
+## Version 2.0.3 – 2023-05-18
 
 ### Added
 
@@ -22,3 +22,5 @@ Notable differences from version 1.1.2.
 ### Fixed
 
 - Incompatible conversion between bytes and str from py2 to py3.
+- The `listCtrlFiles.InsertItem` error in windows.
+- Make the string parser in doping series working.

setup.py

@@ -15,7 +15,7 @@
 
 # Use this version when git data are not available, like in git zip archive.
 # Update when tagging a new release.
-FALLBACK_VERSION = '2.0.2'
+FALLBACK_VERSION = '2.0.3'
 
 # determine if we run with Python 3.
 PY3 = (sys.version_info[0] == 3)

src/diffpy/pdfgui/gui/design/dopingseriespanel.wxg

@@ -1,5 +1,5 @@
 <?xml version="1.0"?>
-<!-- generated by wxGlade 0.9.3 on Fri Aug  9 17:38:34 2019 -->
+<!-- generated by wxGlade 1.0.5 on Thu May 18 18:54:34 2023 -->
 
 <application encoding="ISO-8859-1" for_version="3.0" header_extension=".h" indent_amount="4" indent_symbol="space" is_template="0" language="python" mark_blocks="1" option="0" overwrite="0" path="../dopingseriespanel.py" source_extension=".cpp" use_gettext="0" use_new_namespace="1">
     <object class="DopingSeriesPanel" name="panel_1" base="EditTopLevelPanel">

src/diffpy/pdfgui/gui/design/temperatureseriespanel.wxg

@@ -1,5 +1,5 @@
 <?xml version="1.0"?>
-<!-- generated by wxGlade 0.9.3 on Tue Aug 13 14:48:48 2019 -->
+<!-- generated by wxGlade 1.0.5 on Thu May 18 18:51:02 2023 -->
 
 <application encoding="ISO-8859-1" for_version="3.0" header_extension=".h" indent_amount="4" indent_symbol="space" is_template="0" language="python" mark_blocks="1" option="0" overwrite="0" path="../temperatureseriespanel.py" source_extension=".cpp" use_gettext="0" use_new_namespace="1">
     <object class="TemperatureSeriesPanel" name="panel_1" base="EditTopLevelPanel">

src/diffpy/pdfgui/gui/dopingseriespanel.py

@@ -33,22 +33,79 @@ def __init__(self, *args, **kwds):
         # begin wxGlade: DopingSeriesPanel.__init__
         kwds["style"] = kwds.get("style", 0) | wx.TAB_TRAVERSAL
         wx.Panel.__init__(self, *args, **kwds)
+
+        sizer_1 = wx.BoxSizer(wx.VERTICAL)
+
         self.instructionsLabel = wx.StaticText(self, wx.ID_ANY, "Select a fit from the tree on the left then add datasets and assign\ndoping elements and values below. If you have not set up a fit to be\nthe template for the series, hit cancel and rerun this macro once a\nfit has been created.")
+        self.instructionsLabel.SetFont(wx.Font(10, wx.FONTFAMILY_DEFAULT, wx.FONTSTYLE_NORMAL, wx.FONTWEIGHT_NORMAL, 0, "Sans"))
+        sizer_1.Add(self.instructionsLabel, 0, wx.ALL | wx.EXPAND, 5)
+
+        sizer_6 = wx.BoxSizer(wx.HORIZONTAL)
+        sizer_1.Add(sizer_6, 0, wx.EXPAND, 0)
+
         self.labelBaseElement = wx.StaticText(self, wx.ID_ANY, "Base element")
+        sizer_6.Add(self.labelBaseElement, 0, wx.ALIGN_CENTER_VERTICAL | wx.ALL, 5)
+
         self.textCtrlBaseElement = wx.TextCtrl(self, wx.ID_ANY, "")
+        sizer_6.Add(self.textCtrlBaseElement, 0, wx.ALL, 5)
+
         self.labelDopant = wx.StaticText(self, wx.ID_ANY, "Dopant")
+        sizer_6.Add(self.labelDopant, 0, wx.ALIGN_CENTER_VERTICAL | wx.ALL, 5)
+
         self.textCtrlDopant = wx.TextCtrl(self, wx.ID_ANY, "")
+        sizer_6.Add(self.textCtrlDopant, 0, wx.ALL, 5)
+
+        sizer_2 = wx.BoxSizer(wx.VERTICAL)
+        sizer_1.Add(sizer_2, 1, wx.EXPAND, 0)
+
+        sizer_4 = wx.BoxSizer(wx.HORIZONTAL)
+        sizer_2.Add(sizer_4, 1, wx.EXPAND, 0)
+
         self.listCtrlFiles = AutoWidthListCtrl(self, wx.ID_ANY, style=wx.BORDER_SUNKEN | wx.LC_EDIT_LABELS | wx.LC_REPORT)
+        sizer_4.Add(self.listCtrlFiles, 1, wx.ALL | wx.EXPAND, 5)
+
+        sizer_5 = wx.BoxSizer(wx.VERTICAL)
+        sizer_4.Add(sizer_5, 0, wx.EXPAND, 0)
+
+        sizer_5.Add((0, 0), 1, 0, 0)
+
         self.buttonUp = wx.BitmapButton(self, wx.ID_ANY, wx.NullBitmap)
+        self.buttonUp.SetSize(self.buttonUp.GetBestSize())
+        sizer_5.Add(self.buttonUp, 0, wx.ALL, 5)
+
         self.buttonDown = wx.BitmapButton(self, wx.ID_ANY, wx.NullBitmap)
+        self.buttonDown.SetSize(self.buttonDown.GetBestSize())
+        sizer_5.Add(self.buttonDown, 0, wx.ALL, 5)
+
+        sizer_5.Add((0, 0), 1, 0, 0)
+
+        grid_sizer_1 = wx.GridSizer(1, 2, 10, 10)
+        sizer_1.Add(grid_sizer_1, 0, wx.ALL, 5)
+
         self.buttonAdd = wx.Button(self, wx.ID_ADD, "Add")
+        grid_sizer_1.Add(self.buttonAdd, 0, 0, 0)
+
         self.buttonDelete = wx.Button(self, wx.ID_DELETE, "Delete")
+        grid_sizer_1.Add(self.buttonDelete, 0, 0, 0)
+
         self.static_line_1 = wx.StaticLine(self, wx.ID_ANY)
+        sizer_1.Add(self.static_line_1, 0, wx.EXPAND, 0)
+
+        sizer_3 = wx.BoxSizer(wx.HORIZONTAL)
+        sizer_1.Add(sizer_3, 0, wx.EXPAND, 0)
+
+        sizer_3.Add((20, 20), 1, wx.EXPAND, 0)
+
         self.goButton = wx.Button(self, wx.ID_OK, "OK")
+        sizer_3.Add(self.goButton, 0, wx.ALL, 5)
+
         self.cancelButton = wx.Button(self, wx.ID_CANCEL, "Cancel")
+        sizer_3.Add(self.cancelButton, 0, wx.ALL, 5)
 
-        self.__set_properties()
-        self.__do_layout()
+        self.SetSizer(sizer_1)
+        sizer_1.Fit(self)
+
+        self.Layout()
 
         self.Bind(wx.EVT_LIST_COL_CLICK, self.onColClick, self.listCtrlFiles)
         self.Bind(wx.EVT_LIST_END_LABEL_EDIT, self.onEndLabelEdit, self.listCtrlFiles)
@@ -61,49 +118,6 @@ def __init__(self, *args, **kwds):
         # end wxGlade
         self.__customProperties()
 
-    def __set_properties(self):
-        # begin wxGlade: DopingSeriesPanel.__set_properties
-        self.instructionsLabel.SetFont(wx.Font(10, wx.FONTFAMILY_DEFAULT, wx.FONTSTYLE_NORMAL, wx.FONTWEIGHT_NORMAL, 0, "Sans"))
-        self.buttonUp.SetSize(self.buttonUp.GetBestSize())
-        self.buttonDown.SetSize(self.buttonDown.GetBestSize())
-        # end wxGlade
-
-    def __do_layout(self):
-        # begin wxGlade: DopingSeriesPanel.__do_layout
-        sizer_1 = wx.BoxSizer(wx.VERTICAL)
-        sizer_3 = wx.BoxSizer(wx.HORIZONTAL)
-        grid_sizer_1 = wx.GridSizer(1, 2, 10, 10)
-        sizer_2 = wx.BoxSizer(wx.VERTICAL)
-        sizer_4 = wx.BoxSizer(wx.HORIZONTAL)
-        sizer_5 = wx.BoxSizer(wx.VERTICAL)
-        sizer_6 = wx.BoxSizer(wx.HORIZONTAL)
-        sizer_1.Add(self.instructionsLabel, 0, wx.ALL | wx.EXPAND, 5)
-        sizer_6.Add(self.labelBaseElement, 0, wx.ALIGN_CENTER_VERTICAL | wx.ALL, 5)
-        sizer_6.Add(self.textCtrlBaseElement, 0, wx.ALL, 5)
-        sizer_6.Add(self.labelDopant, 0, wx.ALIGN_CENTER_VERTICAL | wx.ALL, 5)
-        sizer_6.Add(self.textCtrlDopant, 0, wx.ALL, 5)
-        sizer_1.Add(sizer_6, 0, wx.EXPAND, 0)
-        sizer_4.Add(self.listCtrlFiles, 1, wx.ALL | wx.EXPAND, 5)
-        sizer_5.Add((0, 0), 1, 0, 0)
-        sizer_5.Add(self.buttonUp, 0, wx.ALL, 5)
-        sizer_5.Add(self.buttonDown, 0, wx.ALL, 5)
-        sizer_5.Add((0, 0), 1, 0, 0)
-        sizer_4.Add(sizer_5, 0, wx.EXPAND, 0)
-        sizer_2.Add(sizer_4, 1, wx.EXPAND, 0)
-        sizer_1.Add(sizer_2, 1, wx.EXPAND, 0)
-        grid_sizer_1.Add(self.buttonAdd, 0, 0, 0)
-        grid_sizer_1.Add(self.buttonDelete, 0, 0, 0)
-        sizer_1.Add(grid_sizer_1, 0, wx.ALL, 5)
-        sizer_1.Add(self.static_line_1, 0, wx.EXPAND, 0)
-        sizer_3.Add((20, 20), 1, wx.EXPAND, 0)
-        sizer_3.Add(self.goButton, 0, wx.ALL, 5)
-        sizer_3.Add(self.cancelButton, 0, wx.ALL, 5)
-        sizer_1.Add(sizer_3, 0, wx.EXPAND, 0)
-        self.SetSizer(sizer_1)
-        sizer_1.Fit(self)
-        self.Layout()
-        # end wxGlade
-
     def __customProperties(self):
         """Set the custom properties."""
         self.fit = None
@@ -296,7 +310,8 @@ def fillList(self):
         if idx == -1: idx = len(cp)
         for doping, filename in self.datasets:
             shortname = "..." + filename[idx:]
-            index = self.listCtrlFiles.InsertItem(sys.maxsize, str(doping))
+            # index = self.listCtrlFiles.InsertItem(sys.maxsize, str(doping))  #doesn't work for windows
+            index = self.listCtrlFiles.InsertItem(100000, str(doping))  #doesn't work for windows
             self.listCtrlFiles.SetItem(index, 1, shortname)
         return
 

src/diffpy/pdfgui/gui/mainframe.py

@@ -299,7 +299,8 @@ def __customProperties(self):
 
         # The configuration parser for getting configuration data.
         # self.cP = QuotedConfigParser()
-        self.cP = QuotedConfigParser(strict=False) #Long try this to avoid DuplicateSectionError
+        # Long try this to avoid DuplicateSectionError and ParsingError
+        self.cP = QuotedConfigParser(strict=False, allow_no_value=True)
 
         # Set the program mode
         self.mode = "fitting"

src/diffpy/pdfgui/gui/temperatureseriespanel.py

@@ -32,18 +32,64 @@ def __init__(self, *args, **kwds):
         # begin wxGlade: TemperatureSeriesPanel.__init__
         kwds["style"] = kwds.get("style", 0) | wx.TAB_TRAVERSAL
         wx.Panel.__init__(self, *args, **kwds)
+
+        sizer_1 = wx.BoxSizer(wx.VERTICAL)
+
         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.")
+        self.instructionsLabel.SetFont(wx.Font(10, wx.FONTFAMILY_DEFAULT, wx.FONTSTYLE_NORMAL, wx.FONTWEIGHT_NORMAL, 0, "Sans"))
+        sizer_1.Add(self.instructionsLabel, 0, wx.ALL | wx.EXPAND, 5)
+
+        sizer_2 = wx.BoxSizer(wx.VERTICAL)
+        sizer_1.Add(sizer_2, 1, wx.EXPAND, 0)
+
+        sizer_4 = wx.BoxSizer(wx.HORIZONTAL)
+        sizer_2.Add(sizer_4, 1, wx.EXPAND, 0)
+
         self.listCtrlFiles = AutoWidthListCtrl(self, wx.ID_ANY, style=wx.BORDER_SUNKEN | wx.LC_EDIT_LABELS | wx.LC_REPORT)
+        sizer_4.Add(self.listCtrlFiles, 1, wx.ALL | wx.EXPAND, 5)
+
+        sizer_5 = wx.BoxSizer(wx.VERTICAL)
+        sizer_4.Add(sizer_5, 0, wx.EXPAND, 0)
+
+        sizer_5.Add((0, 0), 1, 0, 0)
+
         self.buttonUp = wx.BitmapButton(self, wx.ID_ANY, wx.NullBitmap)
+        self.buttonUp.SetSize(self.buttonUp.GetBestSize())
+        sizer_5.Add(self.buttonUp, 0, wx.ALL, 5)
+
         self.buttonDown = wx.BitmapButton(self, wx.ID_ANY, wx.NullBitmap)
+        self.buttonDown.SetSize(self.buttonDown.GetBestSize())
+        sizer_5.Add(self.buttonDown, 0, wx.ALL, 5)
+
+        sizer_5.Add((0, 0), 1, 0, 0)
+
+        grid_sizer_1 = wx.GridSizer(1, 2, 10, 10)
+        sizer_1.Add(grid_sizer_1, 0, wx.ALL, 5)
+
         self.buttonAdd = wx.Button(self, wx.ID_ADD, "Add")
+        grid_sizer_1.Add(self.buttonAdd, 0, 0, 0)
+
         self.buttonDelete = wx.Button(self, wx.ID_DELETE, "Delete")
+        grid_sizer_1.Add(self.buttonDelete, 0, 0, 0)
+
         self.static_line_1 = wx.StaticLine(self, wx.ID_ANY)
+        sizer_1.Add(self.static_line_1, 0, wx.EXPAND, 0)
+
+        sizer_3 = wx.BoxSizer(wx.HORIZONTAL)
+        sizer_1.Add(sizer_3, 0, wx.EXPAND, 0)
+
+        sizer_3.Add((20, 20), 1, wx.EXPAND, 0)
+
         self.goButton = wx.Button(self, wx.ID_OK, "OK")
+        sizer_3.Add(self.goButton, 0, wx.ALL, 5)
+
         self.cancelButton = wx.Button(self, wx.ID_CANCEL, "Cancel")
+        sizer_3.Add(self.cancelButton, 0, wx.ALL, 5)
+
+        self.SetSizer(sizer_1)
+        sizer_1.Fit(self)
 
-        self.__set_properties()
-        self.__do_layout()
+        self.Layout()
 
         self.Bind(wx.EVT_LIST_COL_CLICK, self.onColClick, self.listCtrlFiles)
         self.Bind(wx.EVT_LIST_END_LABEL_EDIT, self.onEndLabelEdit, self.listCtrlFiles)
@@ -58,43 +104,6 @@ def __init__(self, *args, **kwds):
         self.buttonDown.SetBitmapLabel(wx.ArtProvider.GetBitmap(wx.ART_GO_DOWN))
         self.__customProperties()
 
-    def __set_properties(self):
-        # begin wxGlade: TemperatureSeriesPanel.__set_properties
-        self.instructionsLabel.SetFont(wx.Font(10, wx.FONTFAMILY_DEFAULT, wx.FONTSTYLE_NORMAL, wx.FONTWEIGHT_NORMAL, 0, "Sans"))
-        self.buttonUp.SetSize(self.buttonUp.GetBestSize())
-        self.buttonDown.SetSize(self.buttonDown.GetBestSize())
-        # end wxGlade
-
-    def __do_layout(self):
-        # begin wxGlade: TemperatureSeriesPanel.__do_layout
-        sizer_1 = wx.BoxSizer(wx.VERTICAL)
-        sizer_3 = wx.BoxSizer(wx.HORIZONTAL)
-        grid_sizer_1 = wx.GridSizer(1, 2, 10, 10)
-        sizer_2 = wx.BoxSizer(wx.VERTICAL)
-        sizer_4 = wx.BoxSizer(wx.HORIZONTAL)
-        sizer_5 = wx.BoxSizer(wx.VERTICAL)
-        sizer_1.Add(self.instructionsLabel, 0, wx.ALL | wx.EXPAND, 5)
-        sizer_4.Add(self.listCtrlFiles, 1, wx.ALL | wx.EXPAND, 5)
-        sizer_5.Add((0, 0), 1, 0, 0)
-        sizer_5.Add(self.buttonUp, 0, wx.ALL, 5)
-        sizer_5.Add(self.buttonDown, 0, wx.ALL, 5)
-        sizer_5.Add((0, 0), 1, 0, 0)
-        sizer_4.Add(sizer_5, 0, wx.EXPAND, 0)
-        sizer_2.Add(sizer_4, 1, wx.EXPAND, 0)
-        sizer_1.Add(sizer_2, 1, wx.EXPAND, 0)
-        grid_sizer_1.Add(self.buttonAdd, 0, 0, 0)
-        grid_sizer_1.Add(self.buttonDelete, 0, 0, 0)
-        sizer_1.Add(grid_sizer_1, 0, wx.ALL, 5)
-        sizer_1.Add(self.static_line_1, 0, wx.EXPAND, 0)
-        sizer_3.Add((20, 20), 1, wx.EXPAND, 0)
-        sizer_3.Add(self.goButton, 0, wx.ALL, 5)
-        sizer_3.Add(self.cancelButton, 0, wx.ALL, 5)
-        sizer_1.Add(sizer_3, 0, wx.EXPAND, 0)
-        self.SetSizer(sizer_1)
-        sizer_1.Fit(self)
-        self.Layout()
-        # end wxGlade
-
     def __customProperties(self):
         """Set the custom properties."""
         self.fit = None
@@ -283,7 +292,8 @@ def fillList(self):
         if idx == -1: idx = len(cp)
         for temperature, filename in self.datasets:
             shortname = "..." + filename[idx:]
-            index = self.listCtrlFiles.InsertItem(sys.maxsize, str(temperature))
+            # index = self.listCtrlFiles.InsertItem(sys.maxsize, str(temperature)) #doesn't work for windows
+            index = self.listCtrlFiles.InsertItem(100000, str(temperature))
             self.listCtrlFiles.SetItem(index, 1, shortname)
         return
 

src/diffpy/pdfgui/gui/wxextensions/validators.py

@@ -82,7 +82,7 @@ def OnChar(self, event):
             event.Skip()
             return
 
-        if self.flag == ALPHA_ONLY and chr(key) in string.letters:
+        if self.flag == ALPHA_ONLY and chr(key) in string.ascii_letters:
             event.Skip()
             return