Changeset 1493 for trunk/GSASIIpwdGUI.py

Timestamp:

Sep 11, 2014 4:35:59 PM (8 years ago)

Author:

vondreele

Message:

set move=True for GenAtom? call for FillUnitCell?
show bin width in calibration plot - also label items
add check if nothing refined in calibrate
fix crash at end of refinement for reflections with bad widths
fix testDeriv to show constrained variables
fix SCExtinction for constrained extinction coef

File:

• trunk/GSASIIpwdGUI.py (modified) (2 diffs)

trunk/GSASIIpwdGUI.py

@@ -956 +956 @@
             
     def OnCalibrate(event):
+        Pattern = G2frame.PatternTree.GetItemPyData(G2frame.PatternId)
+        xye = ma.array(ma.getdata(Pattern[1]))
+        cw = np.diff(xye[0])
         IndexPeaks = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,G2frame.PatternId, 'Index Peak List'))
         if not len(IndexPeaks[0]):
@@ -967 +970 @@
             G2frame.ErrorDialog('Can not calibrate','Index Peak List not indexed')
             return            
-        G2pwd.DoCalibInst(IndexPeaks,data)
-        UpdateInstrumentGrid(G2frame,data)
-        XY = []
-        Sigs = []
-        for ip,peak in enumerate(IndexPeaks[0]):
-            if peak[2] and peak[3]:
-                XY.append([peak[8],peak[0]])
-                Sigs.append(IndexPeaks[1][ip])
-        if len(XY):
-            XY = np.array(XY)
-            G2plt.PlotCalib(G2frame,data,XY,Sigs,newPlot=True)
+        if G2pwd.DoCalibInst(IndexPeaks,data):
+            UpdateInstrumentGrid(G2frame,data)
+            XY = []
+            Sigs = []
+            for ip,peak in enumerate(IndexPeaks[0]):
+                if peak[2] and peak[3]:
+                    binwid = cw[np.searchsorted(xye[0],peak[0])]
+                    XY.append([peak[8],peak[0],binwid])
+                    Sigs.append(IndexPeaks[1][ip])
+            if len(XY):
+                XY = np.array(XY)
+                G2plt.PlotCalib(G2frame,data,XY,Sigs,newPlot=True)
+        else:
+            G2frame.ErrorDialog('Can not calibrate','Nothing selected for refinement')
+            
 
     def OnLoad(event):