Changeset 4618 for trunk

Timestamp:

Oct 22, 2020 2:01:45 PM (3 years ago)

Author:

vondreele

Message:

Update RB atom site frac when origin of RB is shifted from one symmetry element to another

File:

• trunk/GSASIIphsGUI.py (modified) (3 diffs)

trunk/GSASIIphsGUI.py

@@ -9929 +9929 @@
             def OnOrigX(invalid,value,tc):
                 newXYZ = G2mth.UpdateRBXYZ(Bmat,RBObj,RBData,rbType)[0]
+                Sytsym,Mult = G2spc.SytSym(rbObj['Orig'][0],SGData)[:2]
+                sytsymtxt.SetLabel('Origin site symmetry: %s, multiplicity: %d '%(Sytsym,Mult))
                 for i,Id in enumerate(RBObj['Ids']):
                     data['Atoms'][AtLookUp[Id]][cx:cx+3] = newXYZ[i]
+                    data['Atoms'][AtLookUp[Id]][cx+3] = Mult/maxMult
                 data['Drawing']['Atoms'] = []
-                Sytsym,Mult = G2spc.SytSym(rbObj['Orig'][0],data['General']['SGData'])[:2]
-                sytsymtxt.SetLabel('Origin site symmetry: %s, multiplicity: %d '%(Sytsym,Mult))
                 UpdateDrawAtoms(atomStyle)
                 G2plt.PlotStructure(G2frame,data)
@@ -9958 +9959 @@
                     pass
                 
+            SGData = data['General']['SGData']
+            maxMult = len(SGData['SGOps'])*len(SGData['SGCen'])
+            if SGData['SGInv']: maxMult *= 2
             topSizer = wx.FlexGridSizer(0,6,5,5)
             if type(RBObj['Orig'][0]) is tuple:      # patch because somehow adding RB origin is becoming a tuple
@@ -9990 +9994 @@
             Qcheck.SetValue(RBObj['Orient'][1])
             topSizer.Add(Qcheck,0,WACV)
-            Sytsym,Mult = G2spc.SytSym(rbObj['Orig'][0],data['General']['SGData'])[:2]
+            Sytsym,Mult = G2spc.SytSym(rbObj['Orig'][0],SGData)[:2]
             sytsymtxt = wx.StaticText(RigidBodies,label='Origin site symmetry: %s, multiplicity: %d '%(Sytsym,Mult))
             topSizer.Add(sytsymtxt)