Changeset 3168 for trunk/GSASIIphsGUI.py

Timestamp:

Nov 30, 2017 3:00:18 PM (6 years ago)

Author:

vondreele

Message:

fix phase data copy operations - needed copy.deepcopy in 2 places
(partial) fix on cif import - for incommensurate & magnetic structures
fix to StarFile? for latin1 encoding

File:

• trunk/GSASIIphsGUI.py (modified) (6 diffs)

trunk/GSASIIphsGUI.py

@@ -2253 +2253 @@
             if r < 0 and c < 0:
                 for row in range(Atoms.GetNumberRows()):
-                    Atoms.SelectRow(row,True)                    
+                    Atoms.SelectRow(row,True)                   
+                wx.CallAfter(Paint)
+                return
             if r < 0:                          #double click on col label! Change all atoms!
                 noSkip = True
@@ -4471 +4473 @@
         cx,ct,cs,cia = generalData['AtomPtrs']
         atomData = data['Atoms']
-        D4Map = generalData['4DmapData']
+        D4Map = generalData.get('4DmapData',{'rho':[]})
         if waveData.GetSizer():
             waveData.GetSizer().Clear(True)
@@ -5193 +5195 @@
                                 str(int(Cell[0]))+','+str(int(Cell[1]))+','+str(int(Cell[2]))                            
                             atom[cs-1] = G2spc.StringOpsProd(atomOp,newOp,SGData)
-                            if cmx:
+                            if cmx:         #magnetic moment
                                 opNum = G2spc.GetOpNum(OprNum,SGData)
                                 mom = np.inner(np.array(atom[cmx:cmx+3]),Bmat)
-#                                print OprNum,newOp,opNum,SpnFlp
+#                                print (OprNum,newOp,opNum,nl.det(M),SpnFlp)
                                 atom[cmx:cmx+3] = np.inner(np.inner(mom,M),Amat)*nl.det(M)*SpnFlp[opNum-1]
                             if atom[cui] == 'A':
@@ -6375 +6377 @@
             if dlg.ShowModal() == wx.ID_OK:
                 for sel in dlg.GetSelections():
-                    data['Histograms'][keyList[sel]].update(copyDict)
+                    data['Histograms'][keyList[sel]].update(copy.deepcopy(copyDict))
         finally:
             dlg.Destroy()
@@ -6432 +6434 @@
                                     data['Histograms'][item][name][2][itm][1] = copy.deepcopy(copyDict[name][itm])
                             elif name == 'Twins':
-                                data['Histograms'][item]['Twins'][0][1][1] = copyDict['Twins']
+                                data['Histograms'][item]['Twins'][0][1][1] = copy.deepcopy(copyDict['Twins'])
                             else:
                                 try:
@@ -6466 +6468 @@
             G2G.G2MessageBox(G2frame,'No histograms to copy to')
             return
-        copyDict = {}
         if 'HKLF' in sourceDict['Histogram']:
             copyNames = ['Scale','Extinction','Babinet','Flack','Twins','Fix FXU']