fix problems in image sum operation

improvements to deformation math

Author: vondreele

GSASII/GSASIIdataGUI.py

@@ -3609,13 +3609,15 @@ def OnImageSum(self,event):
         DataList = []
         IdList = []
         Names = []
+        Items = []
         Comments = ['Sum equals: \n']
         if self.GPXtree.GetCount():
             item, cookie = self.GPXtree.GetFirstChild(self.root)
             while item:
                 name = self.GPXtree.GetItemText(item)
                 Names.append(name)
                 if 'IMG' in name:
+                    Items.append(item)
                     TextList.append(name)
                     DataList.append(self.GPXtree.GetImageLoc(item))        #Size,Image,Tag
                     IdList.append(item)
@@ -3627,14 +3629,28 @@ def OnImageSum(self,event):
             TextList.append('default_sum_name')
             dlg = self.SumDialog(self,'Sum data',' Enter scale for each image to be summed','IMG',
                 TextList,DataList)
+            chkItems = ['pixelSize','wavelength','distance','center','size','tilt','rotation']
             try:
                 if dlg.ShowModal() == wx.ID_OK:
                     imSize = 0
                     result,scales = dlg.GetData()
                     First = True
                     Found = False
-                    for name,scale in zip(result,scales):
+                    for item,name,scale in zip(Items,result,scales):
                         if scale:
+                            if not Found:
+                                Data = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,item,'Image Controls'))
+                                chkData = {Id:Data[Id] for Id in chkItems}
+                            else:
+                                data = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,item,'Image Controls'))
+                                chkdata = {Id:data[Id] for Id in chkItems}
+                                if str(chkdata) != str(chkData):
+                                    self.ErrorDialog('Image Controls error','Images to be summed must have same Image Controls - see Console for list')
+                                    chkDiff = [[iD,chkData[iD],chkdata[iD]] for iD in chkData if str(chkData[iD]) !=  str(chkdata[iD])]
+                                    print('Differences: ')
+                                    for diff in chkDiff:
+                                        print('%s: %s %s'%(diff[0],str(diff[1]),str(diff[2])))
+                                    return
                             Found = True
                             Comments.append("%10.3f %s" % (scale,' * '+name))
                             i = TextList.index(name)

GSASII/GSASIIlattice.py

@@ -2896,7 +2896,8 @@ def H2ThPh2(H,Bmat):
     '''
     Hcart = np.inner(H,Bmat)
     R = np.sqrt(np.sum(np.square(Hcart),axis=1))
-    Pl = acosd(Hcart[:,2]/R)
+    Hcart /= R[:,nxs]
+    Pl = acosd(Hcart[:,2])
     Az = atan2d(Hcart[:,1],Hcart[:,0])
     return R,Az,Pl
 

GSASII/GSASIIstrMath.py

@@ -449,15 +449,15 @@ def MakePolar(Orient,QB):
         QA = G2mth.invQ(Orient)       #rotates about chosen axis
         Q = G2mth.prodQQ(QB,QA)     #might be switched? QB,QA is order for plotting
         M = np.inner(G2mth.Q2Mat(Q),Bmat)
-        return G2lat.H2ThPh2(np.reshape(HKL,(-1,3)),M)
+        return G2lat.H2ThPh2(np.reshape(HKL,(-1,3)),M)[1:]
 
     dFFdS = {}
     atFlg = []
-    Th,Ph = G2lat.H2ThPh2(np.reshape(HKL,(-1,3)),Bmat)
+    R,Th,Ph = G2lat.H2ThPh2(np.reshape(HKL,(-1,3)),Bmat)
     SQR = np.repeat(SQ,HKL.shape[1])
     for iAt,Atype in enumerate(Tdata):
         if 'Q' in Atype:
-            Th,Ph = G2lat.H2ThPh2(np.reshape(HKL,(-1,3)),Bmat)
+            R,Th,Ph = G2lat.H2ThPh2(np.reshape(HKL,(-1,3)),Bmat)
             atFlg.append(1.0)
             SHdat = SHCdict[iAt]
             symAxis = np.array(SHdat['symAxis'])