Changeset 1329

Timestamp:

May 6, 2014 12:19:05 PM (11 years ago)

Author:

vondreele

Message:

fix export of topas xye data - comments need /* & */ delimiters (ugh!)
implement reverse & copy forward for SASD sequential fits

Location:

trunk

Files:

• GSASIIpwdGUI.py (modified) (3 diffs)
• exports/G2export_pwdr.py (modified) (1 diff)

trunk/GSASIIpwdGUI.py ¶

@@ -2782 +2782 @@
         dlg.Destroy()
         SeqResult = {'histNames':names}
+        Reverse = False
+        CopyForward = False
+        choice = ['Reverse sequence','Copy from prev.']
+        dlg = wx.MultiChoiceDialog(G2frame.dataFrame,'Sequential controls','Select controls',choice)
+        if dlg.ShowModal() == wx.ID_OK:
+            for sel in dlg.GetSelections():
+                if sel:
+                    CopyForward = True
+                else:
+                    Reverse = True
+        dlg.Destroy()
         dlg = wx.ProgressDialog('SASD Sequential fit','Data set name = '+names[0],len(names), 
             style = wx.PD_ELAPSED_TIME|wx.PD_AUTO_HIDE|wx.PD_REMAINING_TIME|wx.PD_CAN_ABORT)
         wx.BeginBusyCursor()
+        if Reverse:
+            names.reverse()
         try:
             for i,name in enumerate(names):
@@ -2792 +2805 @@
                     break
                 Id =  G2gd.GetPatternTreeItemId(G2frame,G2frame.root,name)
+                if i and CopyForward:
+                    G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id, 'Models'),JModel)
                 IProfDict,IProfile = G2frame.PatternTree.GetItemPyData(Id)[:2]
                 IModel = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id, 'Models'))
@@ -2797 +2812 @@
                 ILimits = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id, 'Limits'))
                 IInst = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id, 'Instrument Parameters'))
-#                ISubstances = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id, 'Substances'))
                 IfOK,result,varyList,sig,Rvals,covMatrix,Msg = G2sasd.ModelFit(IProfile,IProfDict,ILimits,ISample,IModel)
+                JModel = copy.copy(IModel)
                 if not IfOK:
                     G2frame.ErrorDialog('Failed sequential refinement for data '+name,

trunk/exports/G2export_pwdr.py ¶

@@ -146 +146 @@
             self.OpenFile()
             histblk = self.Histograms[hist]
-            self.Write('# '+hist[5:])
+            self.Write('/*')    #The ugly c comment delimiter used in topas!
+            self.Write('# '+hist[5:])  #evidently this by itself fails in topas
+            self.Write('*/')
             x = np.array(histblk['Data'][0])
             # convert weights to sigmas; use largest weight as minimum esd