Changeset 2700 for trunk

Timestamp:

Feb 11, 2017 10:02:44 AM (8 years ago)

Author:

vondreele

Message:

fix issues withh single/multiscan Bruker raw files
recover Temperature from Bruker multiscan files
fix issues with SetItemPyData? for SeqData? in various places

Location:

trunk

Files:

• GSASIIimgGUI.py (modified) (3 diffs)
• GSASIIpwdGUI.py (modified) (9 diffs)
• imports/G2pwd_BrukerRAW.py (modified) (1 diff)

trunk/GSASIIimgGUI.py ¶

@@ -1939 +1939 @@
                 SeqResult = {}
                 Id = G2frame.PatternTree.AppendItem(parent=G2frame.root,text='Sequential strain fit results')
-                G2frame.PatternTree.SetItemPyData(Id,SeqResult)
             SeqResult.update({'SeqPseudoVars':{},'SeqParFitEqList':[]})
         else:
@@ -1970 +1969 @@
                 if not GoOn:
                     break
-                Id =  G2gd.GetPatternTreeItemId(G2frame,G2frame.root,name)
-                G2frame.Image = Id
-                Controls = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id, 'Image Controls'))
-                StaCtrls = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id, 'Stress/Strain'))
+                sId =  G2gd.GetPatternTreeItemId(G2frame,G2frame.root,name)
+                G2frame.Image = sId
+                Controls = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,sId, 'Image Controls'))
+                StaCtrls = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,sId, 'Stress/Strain'))
                 if not len(StaCtrls['d-zero']):
                     continue
                 goodnames.append(name)
-                Npix,imagefile,imagetag = G2frame.PatternTree.GetImageLoc(Id)
+                Npix,imagefile,imagetag = G2frame.PatternTree.GetImageLoc(sId)
                 image = GetImageZ(G2frame,Controls)
                 sig = []
@@ -2010 +2009 @@
             wx.EndBusyCursor()    
         SeqResult['histNames'] = choices
+        G2frame.PatternTree.SetItemPyData(Id,SeqResult)
         G2frame.PatternTree.SelectItem(Id)
         print 'All images fitted'

trunk/GSASIIpwdGUI.py ¶

@@ -537 +537 @@
             SeqResult = {}
             Id = G2frame.PatternTree.AppendItem(parent=G2frame.root,text='Sequential peak fit results')
-            G2frame.PatternTree.SetItemPyData(Id,SeqResult)
         SeqResult = {'SeqPseudoVars':{},'SeqParFitEqList':[]}
         Reverse = False
@@ -592 +591 @@
             dlg.Destroy()
         SeqResult['histNames'] = histList
+        G2frame.PatternTree.SetItemPyData(Id,SeqResult)
         G2frame.G2plotNB.Delete('Sequential refinement')    #clear away probably invalid plot
         G2frame.PatternTree.SelectItem(Id)
@@ -770 +770 @@
         '''
         event.Skip()
-        c =  event.GetRow(),event.GetCol()[1]
+        c =  event.GetRow(),event.GetCol()
         if c < 0: # replot except whan a column is selected
             wx.CallAfter(G2plt.PlotPatterns,G2frame,plotType='PWDR')
@@ -4033 +4033 @@
                 SeqResult = {}
                 Id = G2frame.PatternTree.AppendItem(parent=G2frame.root,text='Sequential SASD results')
-                G2frame.PatternTree.SetItemPyData(Id,SeqResult)
             SeqResult['histNames'] = choices
             SeqResult = {'SeqPseudoVars':{},'SeqParFitEqList':[]}
@@ -4063 +4062 @@
                 if not GoOn:
                     break
-                Id =  G2gd.GetPatternTreeItemId(G2frame,G2frame.root,name)
+                sId =  G2gd.GetPatternTreeItemId(G2frame,G2frame.root,name)
                 if i and CopyForward:
-                    G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id, 'Models'),JModel)
+                    G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,sId, 'Models'),JModel)
                 IProfDict,IProfile = G2frame.PatternTree.GetItemPyData(Id)[:2]
-                IModel = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id, 'Models'))
-                ISample = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id, 'Sample Parameters'))
-                ILimits = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id, 'Limits'))
+                IModel = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,sId, 'Models'))
+                ISample = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,sId, 'Sample Parameters'))
+                ILimits = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,sId, 'Limits'))
                 IfOK,result,varyList,sig,Rvals,covMatrix,parmDict,Msg = G2sasd.ModelFit(IProfile,IProfDict,ILimits,ISample,IModel)
                 JModel = copy.deepcopy(IModel)
@@ -4080 +4079 @@
                     break
                 else:
-                    G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id, 'Models'),copy.deepcopy(IModel))
+                    G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,sId, 'Models'),copy.deepcopy(IModel))
                 
                 G2sasd.ModelFxn(IProfile,IProfDict,ILimits,ISample,IModel)
@@ -4090 +4089 @@
         finally:
             wx.EndBusyCursor()    
+        G2frame.PatternTree.SetItemPyData(Id,SeqResult)
         G2frame.PatternTree.SelectItem(Id)
         
@@ -5382 +5382 @@
                     SeqResult = {}
                     Id = G2frame.PatternTree.AppendItem(parent=G2frame.root,text='Sequential PDF peak fit results')
-                    G2frame.PatternTree.SetItemPyData(Id,SeqResult)
                 SeqResult = {'SeqPseudoVars':{},'SeqParFitEqList':[]}
                 items = dlg.GetSelections()
@@ -5400 +5399 @@
             dlg.Destroy()
         G2plt.PlotISFG(G2frame,data,peaks=newpeaks,newPlot=False)
+        G2frame.PatternTree.SetItemPyData(Id,SeqResult)
         G2frame.PatternTree.SelectItem(Id)
         print 'All PDFs peak fitted - results in Sequential PDF peak fit results'

trunk/imports/G2pwd_BrukerRAW.py ¶

@@ -135 +135 @@
                 if blockNum <= nBlock:
                     for iBlock in range(blockNum):
-                        headLen = int(st.unpack('<i',File.read(4))[0])+40
+                        headLen = int(st.unpack('<i',File.read(4))[0])
+                        if nBlock > 1:
+                            headLen += 40
                         nSteps = int(st.unpack('<i',File.read(4))[0])
+                        if not nSteps: break
                         if iBlock+1 == blockNum:
                             st.unpack('<d',File.read(8))[0]
                             start2Th = st.unpack('<d',File.read(8))[0]
+                            File.seek(pos+212)
+                            temp = st.unpack('<f',File.read(4))[0]
+                            if temp > 0.:
+                                self.Sample['Temperature'] = temp                                                        
                             File.seek(pos+176)
                             step = st.unpack('<d',File.read(8))[0]