Changeset 3348

Timestamp:

Apr 17, 2018 5:00:36 PM (5 years ago)

Author:

vondreele

Message:

add new configuration for selecting instprm first
add save.load for PWDR peak fits.

Location:

trunk

Files:

• GSASIIdataGUI.py (modified) (3 diffs)
• GSASIIpwdGUI.py (modified) (2 diffs)
• config_example.py (modified) (1 diff)

trunk/GSASIIdataGUI.py

@@ -1497 +1497 @@
             pth = G2G.GetImportPath(self)
             if not pth: pth = '.'
+            extOrd = [0,1]
+            if GSASIIpath.GetConfigValue('Instprm_default',False):
+                extOrd = [1,0]
+            extList = ['GSAS iparm file (*.prm,*.inst,*.ins)|*.prm;*.inst;*.ins|','GSAS-II iparm file (*.instprm)|*.instprm|']
             dlg = wx.FileDialog(self,
                 u'Choose inst. param file for "'+rd.idstring+u'" (or Cancel for default)',
-                pth, '',
-                'GSAS iparm file (*.prm,*.inst,*.ins)|*.prm;*.inst;*.ins|'
-                'GSAS-II iparm file (*.instprm)|*.instprm|'
-                'All files (*.*)|*.*', wx.FD_OPEN)
+                pth, '',extList[extOrd[0]]+extList[extOrd[1]]+'All files (*.*)|*.*', wx.FD_OPEN)
             if os.path.exists(lastIparmfile):
                 dlg.SetFilename(lastIparmfile)
@@ -4920 +4921 @@
         # PDR / Peak List
         G2G.Define_wxId('wxID_UNDO', 'wxID_LSQPEAKFIT', 'wxID_LSQONECYCLE', 'wxID_RESETSIGGAM', 
-            'wxID_CLEARPEAKS', 'wxID_AUTOSEARCH','wxID_PEAKSCOPY', 'wxID_SEQPEAKFIT',)
+            'wxID_CLEARPEAKS', 'wxID_AUTOSEARCH','wxID_PEAKSCOPY', 'wxID_SEQPEAKFIT','wxID_PEAKLOAD','wxID_PEAKSAVE')
         self.PeakMenu = wx.MenuBar()
         self.PrefillDataMenu(self.PeakMenu)
@@ -4933 +4934 @@
         self.PeakEdit.Append(G2G.wxID_RESETSIGGAM,'Reset sig and gam','Reset sigma and gamma to global fit' )
         self.PeakCopy = self.PeakEdit.Append(G2G.wxID_PEAKSCOPY,'Peak copy','Copy peaks to other histograms')
+        self.PeakEdit.Append(G2G.wxID_PEAKLOAD,'Load peaks...','Load peak list from file')
+        self.PeakEdit.Append(G2G.wxID_PEAKSAVE,'Save peaks...','Save peak list to file')
         self.SeqPeakFit = self.PeakEdit.Append(G2G.wxID_SEQPEAKFIT,'Seq PeakFit', 
             'Sequential Peak fitting for all histograms' )

trunk/GSASIIpwdGUI.py

@@ -501 +501 @@
             G2frame.GPXtree.SetItemPyData(
                 G2gd.GetGPXtreeItemId(G2frame,Id,'Peak List'),copy.deepcopy(data))
+            
+    def OnLoadPeaks(event):
+        pth = G2G.GetExportPath(G2frame)
+        dlg = wx.FileDialog(G2frame, 'Choose GSAS-II PWDR peaks list file', pth, '', 
+            'PWDR peak list files (*.pkslst)|*.pkslst',wx.FD_OPEN)
+        try:
+            if dlg.ShowModal() == wx.ID_OK:
+                peaks = []
+                filename = dlg.GetPath()
+                File = open(filename,'r')
+                S = File.readline()
+                while S:
+                    if '#' in S:
+                        S = File.readline()
+                        continue
+                    try:
+                        peaks.append(eval(S))
+                    except:
+                        break
+                    S = File.readline()
+                File.close()
+        finally:
+            dlg.Destroy()
+        data = {'peaks':peaks,'sigDict':{}}
+        UpdatePeakGrid(G2frame,data)
+        G2plt.PlotPatterns(G2frame,plotType='PWDR')
+        
+    def OnSavePeaks(event):
+        pth = G2G.GetExportPath(G2frame)
+        dlg = wx.FileDialog(G2frame, 'Choose GSAS-II PWDR peaks list file', pth, '', 
+            'PWDR peak list files (*.pkslst)|*.pkslst',wx.FD_SAVE|wx.FD_OVERWRITE_PROMPT)
+        try:
+            if dlg.ShowModal() == wx.ID_OK:
+                filename = dlg.GetPath()
+                # make sure extension is .pkslst
+                filename = os.path.splitext(filename)[0]+'.pkslst'
+                File = open(filename,'w')
+                File.write("#GSAS-II PWDR peaks list file; do not add/delete items!\n")
+                for item in data:
+                    if item == 'peaks':
+                        for pk in data[item]:
+                            File.write(str(pk)+'\n')
+                File.close()
+                print ('PWDR peaks list saved to: '+filename)
+        finally:
+            dlg.Destroy()
+        
     
     def OnUnDo(event):
@@ -826 +873 @@
     G2frame.Bind(wx.EVT_MENU, OnAutoSearch, id=G2G.wxID_AUTOSEARCH)
     G2frame.Bind(wx.EVT_MENU, OnCopyPeaks, id=G2G.wxID_PEAKSCOPY)
+    G2frame.Bind(wx.EVT_MENU, OnSavePeaks, id=G2G.wxID_PEAKSAVE)
+    G2frame.Bind(wx.EVT_MENU, OnLoadPeaks, id=G2G.wxID_PEAKLOAD)
     G2frame.Bind(wx.EVT_MENU, OnUnDo, id=G2G.wxID_UNDO)
     G2frame.Bind(wx.EVT_MENU, OnRefineSelected, id=G2frame.dataWindow.peaksSel.GetId())

trunk/config_example.py

@@ -184 +184 @@
 information on how this is done.
 '''
+
+Instprm_default = False
+'''when True, GSAS-II instprm file are shown as default; when False, old GSAS stype prm, etc files are default
+'''