Changeset 674

Timestamp:

Jul 3, 2012 10:21:10 AM (11 years ago)

Author:

vondreele

Message:

move peaksunique math to GSASIImath.py
fix geo correction in image integration Now cos(2th)2

Location:

trunk

Files:

• GSASIIimage.py (modified) (1 diff)
• GSASIImath.py (modified) (1 diff)
• GSASIIphsGUI.py (modified) (1 diff)

trunk/GSASIIimage.py

@@ -730 +730 @@
         else:
             H1 = LRazm
-        H0[0] /= npcosd(H2[:-1])
+        H0[0] /= npcosd(H2[:-1])**2
         Nup += 1
         dlg.Update(Nup)

trunk/GSASIImath.py

@@ -863 +863 @@
         rho = np.roll(np.roll(np.roll(rho,-rMI[2],axis=2),-rMI[1],axis=1),-rMI[0],axis=0)
     return np.array(peaks),np.array([mags,]).T
+
+def PeaksUnique(data,Ind):
+    generalData = data['General']
+    cell = generalData['Cell'][1:7]
+    Amat,Bmat = G2lat.cell2AB(generalData['Cell'][1:7])
+    A = G2lat.cell2A(cell)
+    SGData = generalData['SGData']
+    mapPeaks = data['Map Peaks']
+    for ind in Ind:
+        XYZ = np.array(mapPeaks[ind][1:])                        
+        Equiv = G2spc.GenAtom(XYZ,SGData,Move=True)[1:]     #remove self
+        for equiv in Equiv:                                 #special position fixer
+                Dx = XYZ-np.array(equiv[0])
+                dist = np.sqrt(np.sum(np.inner(Amat,Dx)**2,axis=0))
+                if dist < 0.5:
+                    print equiv[0],Dx,dist
+                    mapPeaks[ind][1:] -= Dx/2.

trunk/GSASIIphsGUI.py

@@ -3749 +3749 @@
                 
     def OnPeaksUnique(event):
-        generalData = data['General']
-        cell = generalData['Cell'][1:7]
-        Amat,Bmat = G2lat.cell2AB(generalData['Cell'][1:7])
-        A = G2lat.cell2A(cell)
-        SGData = generalData['SGData']
         if 'Map Peaks' in data:
             mapPeaks = data['Map Peaks']
             Ind = MapPeaks.GetSelectedRows()
-            for ind in Ind:
-                XYZ = np.array(mapPeaks[ind][1:])                        
-                Equiv = G2spc.GenAtom(XYZ,SGData,Move=True)[1:]     #remove self
-                for equiv in Equiv:                                 #special position fixer
-                        Dx = XYZ-np.array(equiv[0])
-                        dist = np.sqrt(np.sum(np.inner(Amat,Dx)**2,axis=0))
-                        if dist < 0.5:
-                            print equiv[0],Dx,dist
-                            mapPeaks[ind][1:] -= Dx/2.
-        FillMapPeaksGrid()
-        G2plt.PlotStructure(G2frame,data)
+            if Ind:
+                G2mth.PeaksUnique(data,Ind)
+                FillMapPeaksGrid()
+                G2plt.PlotStructure(G2frame,data)
     
     def OnFourierMaps(event):