Changeset 2124

Timestamp:

Jan 14, 2016 4:04:14 PM (6 years ago)

Author:

vondreele

Message:

rename IndexPeaks? to OnIndexPeaks? - event driven
work on findMV

Location:

trunk

Files:

• GSASIIindex.py (modified) (5 diffs)
• GSASIIpwdGUI.py (modified) (3 diffs)

trunk/GSASIIindex.py

@@ -268 +268 @@
                     Vec.append(max(-1.,min(1.0,values[i])))
                 else:
-                    Vec.append(max(0.0,min(2.0,values)))                    
+                    Vec.append(max(0.0,min(1.0,values)))                    
                 i += 1
             else:
@@ -306 +306 @@
     Vref = [True if x in ssopt['ssSymb'] else False for x in ['a','b','g']]
     values = []
-    ranges = []    
+    ranges = []
+    dT = 0.02       #seems to be a good choice
     for v,r in zip(ssopt['ModVec'],Vref):
         if r:
-            ranges += [slice(0.02,0.98,.02),]
+            ranges += [slice(dT,1.-dT,dT),] #NB: unique part for (00g) & (a0g); (abg)?
             values += [v,]
     dmin = getDmin(peaks)-0.005
-    Peaks = np.copy(np.array(peaks).T)
     if 'T' in Inst['Type'][0]:    
         result = so.brute(TSSfunc,ranges,finish=so.fmin_cg,full_output=True,
@@ -330 +330 @@
     hklmax = [0,0,0]
     for ipk,peak in enumerate(peaks):
+        peak[4:7] = [0,0,0]                           #clear old indexing
+        peak[8] = 0.
         if peak[2]:
-            peak[4:7] = [0,0,0]                           #clear old indexing
-            peak[8] = 0.
             i = bisect.bisect_right(hklds,peak[7])          # find peak position in hkl list
             dm = peak[-2]-hklds[i-1]                         # peak to neighbor hkls in list
@@ -379 +379 @@
     hklmax = [0,0,0,0]
     for ipk,peak in enumerate(Peaks):
+        peak[4:8] = [0,0,0,0]                           #clear old indexing
+        peak[9] = 0.
         if peak[2]: #Use
-            peak[4:8] = [0,0,0,0]                           #clear old indexing
-            peak[9] = 0.
             i = bisect.bisect_right(hklds,peak[8])          # find peak position in hkl list
             dm = peak[8]-hklds[i-1]                         # peak to neighbor hkls in list
@@ -974 +974 @@
                                 if not GoOn:
                                     break
-                                if M20 > 1.0:
+                                if 1.e6 > M20 > 1.0:    #exclude nonsense
                                     bestM20 = max(bestM20,M20)
                                     A = halfCell(ibrav,A[:],peaks)

trunk/GSASIIpwdGUI.py

@@ -2291 +2291 @@
                     elif key == 78:  #'N'
                         for row in range(G2frame.IndexPeaksTable.GetNumberRows()): data[0][row][col]=False
+                    elif key == 83: # 'S'
+                        for row in range(G2frame.IndexPeaksTable.GetNumberRows()): data[0][row][col] = not data[0][row][col]
+                        
             
     if G2frame.dataDisplay:
@@ -2752 +2755 @@
         wx.CallAfter(UpdateUnitCellsGrid,G2frame,data)
         
-    def IndexPeaks(event):
+    def OnIndexPeaks(event):
         PatternId = G2frame.PatternId    
         print 'Peak Indexing'
@@ -2869 +2872 @@
     if not G2frame.dataFrame.GetStatusBar():
         Status = G2frame.dataFrame.CreateStatusBar()
-    G2frame.Bind(wx.EVT_MENU, IndexPeaks, id=G2gd.wxID_INDEXPEAKS)
+    G2frame.Bind(wx.EVT_MENU, OnIndexPeaks, id=G2gd.wxID_INDEXPEAKS)
     G2frame.Bind(wx.EVT_MENU, CopyUnitCell, id=G2gd.wxID_COPYCELL)
     G2frame.Bind(wx.EVT_MENU, RefineCell, id=G2gd.wxID_REFINECELL)