Changeset 4857

Timestamp:

Mar 19, 2021 12:56:44 PM (2 years ago)

Author:

vondreele

Message:

Add new button to Covariance page - Show last shift/esd bar plot
Add PlotNamedFloatBarGraph? to G2plot to do it.
Fix a missing default on get in ReportProblems? in G2strMain

Location:

trunk

Files:

• GSASIIdataGUI.py (modified) (3 diffs)
• GSASIIplot.py (modified) (3 diffs)
• GSASIIstrMain.py (modified) (7 diffs)

trunk/GSASIIdataGUI.py

@@ -7367 +7367 @@
     Also Called in GSASIIphsGUI.UpdatePhaseData by OnTransform callback. 
     '''
+    def OnShowShift(event):
+        if 'Lastshft' not in data:
+            return
+        if data['Lastshft'] is None:
+            return
+        shftesd = data['Lastshft']/data['sig']
+        
+        G2plt.PlotNamedFloatHBarGraph(G2frame,shftesd,data['varyList'],Xlabel='Last shift/esd',
+            Ylabel='Variables',Title='Last shift/esd',PlotName='Shift/esd')
+    
     if G2frame.PickIdText == G2frame.GetTreeItemsList(item): # don't redo the current data tree item 
         if GSASIIpath.GetConfigValue('debug'): print('Skipping SelectDataTreeItem as G2frame.PickIdText unchanged')
@@ -7447 +7457 @@
     if G2frame.dataWindow:
         G2frame.dataWindow.ClearData() 
-#    G2frame.dataWindow.ClearData()
     # process first-level entries in tree
     if G2frame.GPXtree.GetItemParent(item) == G2frame.root:
@@ -7491 +7500 @@
                     text += '\n\tReduced χ**2 = {:.2f}'.format(Rvals['GOF']**2)
                 subSizer.Add(wx.StaticText(G2frame.dataWindow,wx.ID_ANY,text))
+                if 'Lastshft' in data and not data['Lastshft'] is None:
+                    showShift = wx.Button(G2frame.dataWindow,label='Show shift/esd plot')
+                    showShift.Bind(wx.EVT_BUTTON,OnShowShift)
+                    subSizer.Add(showShift)
             mainSizer.Add(subSizer)
             mainSizer.Add(G2G.HelpButton(G2frame.dataWindow,helpIndex='Covariance'))
-            #mainSizer.Add((-1,-1),1,wx.EXPAND)
             G2frame.dataWindow.GetSizer().Add(mainSizer)
-#            G2frame.dataWindow.GetSizer().Add((-1,-1),1,wx.EXPAND,1)
             G2plt.PlotCovariance(G2frame,data)
         elif G2frame.GPXtree.GetItemText(item) == 'Constraints':

trunk/GSASIIplot.py

@@ -5705 +5705 @@
 ##### PlotBarGraph ################################################################################
 def PlotBarGraph(G2frame,Xarray,Xname='',Yname='Number',Title='',PlotName=None,ifBinned=False,maxBins=None):
-    'Needs a description'
+    ''' does a vertical bar graph
+    '''
     
     def OnPageChanged(event):
@@ -5746 +5747 @@
     Page.canvas.draw()
 
+##### PlotNamedFloatBarGraph ################################################################################
+def PlotNamedFloatHBarGraph(G2frame,Xvals,Ynames,Xlabel='Value',Ylabel='',Title='',PlotName=None):
+    ''' does a horizintal bar graph
+    '''
+    
+    def OnPageChanged(event):
+        PlotText = G2frame.G2plotNB.nb.GetPageText(G2frame.G2plotNB.nb.GetSelection())
+        if PlotText == PlotName:
+            PlotNamedFloatHBarGraph(G2frame,Xvals,Ynames,Xlabel,Ylabel,Title,PlotText)
+    
+    def OnMotion(event):
+        if event.ydata is None:
+            return
+        ypos = int(event.ydata+.5)
+        if ypos and ypos < len(Ynames):                                        #avoid out of frame mouse position
+            SetCursor(Page)
+            try:
+                G2frame.G2plotNB.status.SetStatusText('X =%s %s = %9.3g'%(Ynames[ypos],Xlabel,Xvals[ypos]),1)                   
+            except TypeError:
+                G2frame.G2plotNB.status.SetStatusText('Select %s first'%PlotName,1)
+
+    if PlotName is None or not len(Ynames):
+        return
+    new,plotNum,Page,Plot,lim = G2frame.G2plotNB.FindPlotTab(PlotName,'mpl')
+    if new:
+        G2frame.G2plotNB.Bind(wx.aui.EVT_AUINOTEBOOK_PAGE_CHANGED,OnPageChanged)
+        Page.canvas.mpl_connect('motion_notify_event', OnMotion)
+    Yvals = np.arange(len(Ynames))
+    colors = ['blue' if x >= 0. else 'red' for x in Xvals]
+    Page.Choice = None
+    Plot.set_title(Title)
+    Plot.set_xlabel(Xlabel,fontsize=14)
+    Plot.set_ylabel(Ylabel,fontsize=14)
+    Plot.barh(Yvals,Xvals,height=0.8,align='center',color=colors,edgecolor='black',tick_label=Ynames)
+    Page.canvas.draw()
+    
 ##### PlotSASDSizeDist ################################################################################
 def PlotSASDSizeDist(G2frame):
@@ -6775 +6812 @@
         imgAx = Img.axes
         ytics = imgAx.get_yticks()
+        imgAx.set_yticks(ytics[:-1])
         ylabs = [Page.varyList[int(i)] for i in ytics[:-1]]
         imgAx.set_yticklabels(ylabs)

trunk/GSASIIstrMain.py

@@ -82 +82 @@
                     msg += ', {}'.format(varyList[val])
         if m: G2fil.G2Print(m, mode='warn')
-    SVD0 = result[2].get('SVD0')
+    SVD0 = result[2].get('SVD0',0)
     if SVD0 == 1: 
         msg += 'Warning: Soft (SVD) singularity in the Hessian'
@@ -253 +253 @@
             covMatrix = result[1]*Rvals['GOF']**2
             sig = np.sqrt(np.diag(covMatrix))
-            Lastshft = result[2].get('Xvec',None)
-            if Lastshft is None:
-                Rvals['Max shft/sig'] = None
-            else:
-                Rvals['Max shft/sig'] = np.max(np.nan_to_num(Lastshft/sig))
+            Lastshft = result[0]-values
+            Rvals['Max shft/sig'] = np.max(np.nan_to_num(Lastshft/sig))
             if np.any(np.isnan(sig)) or not sig.shape:
                 G2fil.G2Print ('*** Least squares aborted - some invalid esds possible ***',mode='error')
-#            table = dict(zip(varyList,zip(values,result[0],(result[0]-values)/sig)))
-#            for item in table: print item,table[item]               #useful debug - are things shifting?
             # report on refinement issues. Result in Rvals['msg']
             ReportProblems(result,Rvals,varyList)
@@ -304 +299 @@
     if chisq0 is not None:
         Rvals['GOF0'] = np.sqrt(chisq0/(Histograms['Nobs']-len(varyList)))
-    return IfOK,Rvals,result,covMatrix,sig
+    return IfOK,Rvals,result,covMatrix,sig,Lastshft
 
 def Refine(GPXfile,dlg=None,makeBack=True,refPlotUpdate=None):
@@ -398 +393 @@
     try:
         covData = {}
-        IfOK,Rvals,result,covMatrix,sig = RefineCore(Controls,Histograms,Phases,restraintDict,
+        IfOK,Rvals,result,covMatrix,sig,Lastshft = RefineCore(Controls,Histograms,Phases,restraintDict,
             rigidbodyDict,parmDict,varyList,calcControls,pawleyLookup,ifSeq,printFile,dlg,
             refPlotUpdate=refPlotUpdate)
@@ -406 +401 @@
             newAtomDict = G2stMth.ApplyXYZshifts(parmDict,varyList)
             covData = {'variables':result[0],'varyList':varyList,'sig':sig,'Rvals':Rvals,
-                       'varyListStart':varyListStart,
+                       'varyListStart':varyListStart,'Lastshft':Lastshft,
                        'covMatrix':covMatrix,'title':GPXfile,'newAtomDict':newAtomDict,
                        'newCellDict':newCellDict,'freshCOV':True}
@@ -818 +813 @@
                .format(s))
         try:
-            IfOK,Rvals,result,covMatrix,sig = RefineCore(Controls,Histo,Phases,restraintDict,
+            IfOK,Rvals,result,covMatrix,sig,Lastshft = RefineCore(Controls,Histo,Phases,restraintDict,
                 rigidbodyDict,parmDict,varyList,calcControls,pawleyLookup,ifSeq,printFile,dlg,
                 refPlotUpdate=refPlotUpdate)
@@ -860 +855 @@
             histRefData = {
                 'variables':result[0],'varyList':varyList,'sig':sig,'Rvals':Rvals,
-                'varyListStart':varyListStart,
+                'varyListStart':varyListStart,'Lastshft':Lastshft,
                 'covMatrix':covMatrix,'title':histogram,'newAtomDict':newAtomDict,
                 'newCellDict':newCellDict,'depParmDict':depParmDict,