Changeset 2757 for trunk/GSASIIpwdGUI.py

Timestamp:

Mar 21, 2017 11:01:51 AM (6 years ago)

Author:

vondreele

Message:

workable reflectometry fitting by Levenberg-Marquart least squares.

File:

• trunk/GSASIIpwdGUI.py (modified) (11 diffs)

trunk/GSASIIpwdGUI.py

@@ -4706 +4706 @@
     def OnFitModel(event):
         
-        print 'fit model'
-#        SaveState()
-        G2pwd.REFDModelFxn(Profile,ProfDict,Inst,Limits,Substances,data)
-        G2plt.PlotPatterns(G2frame,plotType='REFD')
-        event.Skip()        
+        SaveState()
+        G2pwd.REFDRefine(Profile,ProfDict,Inst,Limits,Substances,data)
+        wx.CallAfter(G2plt.PlotPatterns,G2frame,plotType='REFD')
+        wx.CallAfter(UpdateREFDModelsGrid,G2frame,data)
         
     def OnFitModelAll(event):
@@ -4720 +4719 @@
         data = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,
             G2frame.PatternId,'Models'))
-        G2frame.dataFrame.RefdUndo.Enable(False)
+        G2frame.dataFrame.REFDUndo.Enable(False)
         UpdateREFDModelsGrid(G2frame,data)
-        G2pwd.REFDModelFxn(Profile,ProfDict,Inst,Limits,Substances,data)
+        G2pwd.REFDModelFxn(Profile,Inst,Limits,Substances,data)
 
     def DoUnDo():
         print 'Undo last refinement'
-        file = open(G2frame.undosasd,'rb')
+        file = open(G2frame.undorefd,'rb')
         PatternId = G2frame.PatternId
         G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,PatternId, 'Models'),cPickle.load(file))
-        print ' Models recovered'
+        print ' Model recovered'
         file.close()
         
@@ -4736 +4735 @@
         file = open(G2frame.undorefd,'wb')
         PatternId = G2frame.PatternId
-        for item in ['Models']:
-            cPickle.dump(G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,PatternId,item)),file,1)
+        cPickle.dump(G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,PatternId,'Models')),file,1)
         file.close()
-        G2frame.dataFrame.RefdUndo.Enable(True)
+        G2frame.dataFrame.REFDUndo.Enable(True)
     
     def ControlSizer():
@@ -4785 +4783 @@
             if invalid:
                 return
-            G2pwd.REFDModelFxn(Profile,ProfDict,Inst,Limits,Substances,data)
+            G2pwd.REFDModelFxn(Profile,Inst,Limits,Substances,data)
             G2plt.PlotPatterns(G2frame,plotType='REFD')
 
@@ -4815 +4813 @@
             data['Layers'][item]['Rough'] = [0.,False]
             data['Layers'][item]['Thick'] = [1.,False]
-            G2pwd.REFDModelFxn(Profile,ProfDict,Inst,Limits,Substances,data)
+            G2pwd.REFDModelFxn(Profile,Inst,Limits,Substances,data)
             G2plt.PlotPatterns(G2frame,plotType='REFD')
             wx.CallAfter(UpdateREFDModelsGrid,G2frame,data)
@@ -4828 +4826 @@
             ind = Indx[Obj.GetId()]
             data['Layers'].insert(ind+1,{'Name':'vacuum','DenMul':[1.0,False],})
-            G2pwd.REFDModelFxn(Profile,ProfDict,Inst,Limits,Substances,data)
+            G2pwd.REFDModelFxn(Profile,Inst,Limits,Substances,data)
             G2plt.PlotPatterns(G2frame,plotType='REFD')
             wx.CallAfter(UpdateREFDModelsGrid,G2frame,data)
@@ -4836 +4834 @@
             ind = Indx[Obj.GetId()]
             del data['Layers'][ind]
-            G2pwd.REFDModelFxn(Profile,ProfDict,Inst,Limits,Substances,data)
+            G2pwd.REFDModelFxn(Profile,Inst,Limits,Substances,data)
             G2plt.PlotPatterns(G2frame,plotType='REFD')
             wx.CallAfter(UpdateREFDModelsGrid,G2frame,data) 
@@ -4843 +4841 @@
             if invalid:
                 return
-            G2pwd.REFDModelFxn(Profile,ProfDict,Inst,Limits,Substances,data)
+            G2pwd.REFDModelFxn(Profile,Inst,Limits,Substances,data)
             G2plt.PlotPatterns(G2frame,plotType='REFD')
             wx.CallAfter(UpdateREFDModelsGrid,G2frame,data) 
@@ -5508 +5506 @@
                 data['delt-G(R)'][2] += ('-\n'+subData[2])
                 G2plt.PlotISFG(G2frame,data,newPlot=True,plotType='delt-G(R)')
+                wx.CallAfter(UpdatePDFGrid,G2frame,data)
+                
+        def OnMult(invalid,value,tc):
+            if invalid: return
+            id = G2gd.GetPatternTreeItemId(G2frame,G2frame.root,data['diffGRname'])
+            pId = G2gd.GetPatternTreeItemId(G2frame,id,'PDF Controls')
+            subData = G2frame.PatternTree.GetItemPyData(pId)['G(R)']
+            data['delt-G(R)'][1] = np.array([subData[1][0],data['G(R)'][1][1]-data['diffMult']*subData[1][1]])
+            G2plt.PlotISFG(G2frame,data,newPlot=True,plotType='delt-G(R)')
         
         diffSizer = wx.BoxSizer(wx.HORIZONTAL)
@@ -5515 +5522 @@
             style=wx.CB_READONLY|wx.CB_DROPDOWN)
         grName.Bind(wx.EVT_COMBOBOX,OnSelectGR)        
-        diffSizer.Add(grName,0,)
+        diffSizer.Add(grName,0,WACV)
+        if data['diffGRname']:
+            diffSizer.Add(wx.StaticText(G2frame.dataDisplay,label=' Mult: '),0,WACV)
+            mult = G2G.ValidatedTxtCtrl(G2frame.dataDisplay,data,'diffMult',nDig=(10,3),
+                    typeHint=float,OnLeave=OnMult)
+            diffSizer.Add(mult,0,WACV)
+            OnMult(False,None,None)
         return diffSizer
             
@@ -5760 +5773 @@
     if 'diffGRname' not in data:
         data['diffGRname'] = ''
+    if 'diffMult' not in data:
+        data['diffMult'] = 1.0
     if G2frame.dataDisplay:
         G2frame.dataFrame.Clear()