Changeset 5303 for trunk

Timestamp:

Jun 16, 2022 1:28:02 PM (3 years ago)

Author:

toby

Message:

export peaks to PreDICT

Location:

trunk

Files:

• GSASIIdataGUI.py (modified) (2 diffs)
• GSASIIpwdGUI.py (modified) (2 diffs)

trunk/GSASIIdataGUI.py ¶

@@ -6469 +6469 @@
         
         # PWDR / Index Peak List
-        G2G.Define_wxId('wxID_INDXRELOAD','wxID_INDEXSAVE',)
+        G2G.Define_wxId('wxID_INDXRELOAD','wxID_INDEXSAVE','wxID_INDEXEXPORTDICVOL')
         self.IndPeaksMenu = wx.MenuBar()
         self.PrefillDataMenu(self.IndPeaksMenu)
@@ -6476 +6476 @@
         self.IndPeaksEdit.Append(G2G.wxID_INDXRELOAD,'Load/Reload','Load/Reload index peaks from peak list')
         self.IndPeaksEdit.Append(G2G.wxID_INDEXSAVE,'Save','Save index peaks to CSV file')
+        self.IndPeaksEdit.Append(G2G.wxID_INDEXEXPORTDICVOL,'Export to PreDICT','Export index peaks to PreDICT (.csv)')
         self.PostfillDataMenu()
         

trunk/GSASIIpwdGUI.py ¶

@@ -3276 +3276 @@
             dlg.Destroy()
         
+    def OnExportPreDICT(event):
+        'Place 2theta positions from Index Peak List into clipboard for cut-&-paste'
+        if wx.TheClipboard.Open():
+            txt = ''
+            c = 0
+            for refl in data[0]:
+                if refl[2]:
+                    c += 1
+                    txt += '{}\n'.format(refl[0])
+            wx.TheClipboard.SetData(wx.TextDataObject(txt))
+            wx.TheClipboard.Close()
+        else:
+            G2frame.ErrorDialog('Clipboard locked','Sorry, unable to access the clipboard, try again later. You might need to restart GSAS-II or reboot')
+            return
+        G2G.G2MessageBox(G2frame,
+                '{} reflection positions placed in clipboard. '.format(c)+
+                'In PreDICT open the DICVOL input. Update the number of '
+                'reflections (& wavelength if needed) in GUI. Then'
+                '  use paste to replace the reflections '
+                '(starting at line 6...) in the DICVOL input.',
+                'DICVOL input generated')
+
     def KeyEditPickGrid(event):
         colList = G2frame.indxPeaks.GetSelectedCols()
@@ -3301 +3323 @@
         G2frame.Bind(wx.EVT_MENU, OnReload, id=G2G.wxID_INDXRELOAD)
         G2frame.Bind(wx.EVT_MENU, OnSave, id=G2G.wxID_INDEXSAVE)
+        G2frame.Bind(wx.EVT_MENU, OnExportPreDICT, id=G2G.wxID_INDEXEXPORTDICVOL)
     G2frame.dataWindow.IndexPeaks.Enable(False)
     G2frame.IndexPeaksTable = []