Changeset 4135

Timestamp:

Sep 4, 2019 3:42:25 PM (4 years ago)

Author:

vondreele

Message:

Use ValidatedTextCtrl? for lattice parm inpt in General tab
limit magnetic super lattice index to +/- 1; various places
changes to incomm. mag. str. fctr.

Location:

trunk

Files:

• GSASIIphsGUI.py (modified) (7 diffs)
• GSASIIpwdGUI.py (modified) (1 diff)
• GSASIIstrMath.py (modified) (3 diffs)

trunk/GSASIIphsGUI.py

@@ -1712 +1712 @@
                 generalData['Cell'][0] = cellRef.GetValue()
                 
-            def OnCellChange(event):
-                event.Skip()
+            def OnCellChange(invalid,value,tc):
+#                event.Skip()
                 SGData = generalData['SGData']
                 laue = SGData['SGLaue']
@@ -1719 +1719 @@
                     laue += SGData['SGUniq']
                 cell = generalData['Cell']
-                Obj = event.GetEventObject()
+                Obj = tc
+#                Obj = event.GetEventObject()
                 ObjId = cellList.index(Obj.GetId())
                 try:
-                    value = max(1.0,float(Obj.GetValue()))
+                    value = max(1.0,float(tc.GetValue()))
                 except ValueError:
                     if ObjId < 3:               #bad cell edge - reset
@@ -1731 +1732 @@
                     cell[1] = cell[2] = cell[3] = value
                     cell[4] = cell[5] = cell[6] = 90.0
-                    Obj.SetValue("%.5f"%(cell[1]))
+                    Obj.SetValue(cell[1])
                 elif laue in ['3R','3mR']:
                     if ObjId == 0:
                         cell[1] = cell[2] = cell[3] = value
-                        Obj.SetValue("%.5f"%(cell[1]))
+                        Obj.SetValue(cell[1])
                     else:
                         cell[4] = cell[5] = cell[6] = value
-                        Obj.SetValue("%.5f"%(cell[4]))
+                        Obj.SetValue(cell[4])
                 elif laue in ['3','3m1','31m','6/m','6/mmm','4/m','4/mmm']:                    
                     cell[4] = cell[5] = 90.
@@ -1746 +1747 @@
                     if ObjId == 0:
                         cell[1] = cell[2] = value
-                        Obj.SetValue("%.5f"%(cell[1]))
+                        Obj.SetValue(cell[1])
                     else:
                         cell[3] = value
-                        Obj.SetValue("%.5f"%(cell[3]))
+                        Obj.SetValue(cell[3])
                 elif laue in ['mmm']:
                     cell[ObjId+1] = value
                     cell[4] = cell[5] = cell[6] = 90.
-                    Obj.SetValue("%.5f"%(cell[ObjId+1]))
+                    Obj.SetValue(cell[ObjId+1])
                 elif laue in ['2/m'+'a']:
                     cell[5] = cell[6] = 90.
                     if ObjId != 3:
                         cell[ObjId+1] = value
-                        Obj.SetValue("%.5f"%(cell[ObjId+1]))
+                        Obj.SetValue(cell[ObjId+1])
                     else:
                         cell[4] = value
-                        Obj.SetValue("%.3f"%(cell[4]))
+                        Obj.SetValue(cell[4])
                 elif laue in ['2/m'+'b']:
                     cell[4] = cell[6] = 90.
                     if ObjId != 3:
                         cell[ObjId+1] = value
-                        Obj.SetValue("%.5f"%(cell[ObjId+1]))
+                        Obj.SetValue(cell[ObjId+1])
                     else:
                         cell[5] = value
-                        Obj.SetValue("%.3f"%(cell[5]))
+                        Obj.SetValue(cell[5])
                 elif laue in ['2/m'+'c']:
                     cell[4] = cell[5] = 90.
                     if ObjId != 3:
                         cell[ObjId+1] = value
-                        Obj.SetValue("%.5f"%(cell[ObjId+1]))
+                        Obj.SetValue(cell[ObjId+1])
                     else:
                         cell[6] = value
-                        Obj.SetValue("%.3f"%(cell[6]))
+                        Obj.SetValue(cell[6])
                 else:
                     cell[ObjId+1] = value
-                    if ObjId < 3:
-                        Obj.SetValue("%.5f"%(cell[1+ObjId]))
-                    else:
-                        Obj.SetValue("%.3f"%(cell[1+ObjId]))                        
+                    Obj.SetValue(cell[1+ObjId])                        
                 cell[7] = G2lat.calc_V(G2lat.cell2A(cell[1:7]))
                 volVal.SetValue("%.3f"%(cell[7]))
@@ -1808 +1806 @@
             for txt,fmt,ifEdit,Id in useGUI[2]:
                 cellSizer.Add(wx.StaticText(General,label=txt),0,WACV)
+                Fmt = (10,5)
+                if '.3' in fmt:
+                    Fmt = (10,3)
                 if ifEdit:          #a,b,c,etc.
-                    cellVal = wx.TextCtrl(General,value=(fmt%(cell[Id+1])),
-                        style=wx.TE_PROCESS_ENTER)
-                    cellVal.Bind(wx.EVT_TEXT_ENTER,OnCellChange)        
-                    cellVal.Bind(wx.EVT_KILL_FOCUS,OnCellChange)
+                    cellVal = G2G.ValidatedTxtCtrl(General,generalData['Cell'],Id+1,
+                            min=0.1,max=500.,nDig=Fmt,OnLeave=OnCellChange)
                     cellSizer.Add(cellVal,0,WACV)
                     cellList.append(cellVal.GetId())
@@ -2110 +2109 @@
                 modSizer.Add(wx.StaticText(General,label=' Max index: '),0,WACV)
                 indChoice = ['1','2','3','4','5','6','7']
+                if 'Magnetic' in name.capitalize():    #limit to one for now
+                    indChoice = ['1',]
                 Max = wx.ComboBox(General,-1,value='%d'%(generalData['SuperVec'][2]),choices=indChoice,
                     style=wx.CB_READONLY|wx.CB_DROPDOWN)
@@ -5277 +5278 @@
                 waveHead = wx.BoxSizer(wx.HORIZONTAL)
                 waveHead.Add(wx.StaticText(waveData,label=typeName+' modulation parameters: '),0,WACV)
-                waveAdd = wx.CheckBox(waveData,label='Add wave?   WaveType: ')
-                waveAdd.Bind(wx.EVT_CHECKBOX, OnAddWave)
-                Indx[waveAdd.GetId()] = Stype
-                waveHead.Add(waveAdd,0,WACV)
-                waveType = wx.ComboBox(waveData,value=waveTyp,choices=waveTypes[Stype],
-                    style=wx.CB_READONLY|wx.CB_DROPDOWN)
-                Indx[waveType.GetId()] = Stype
-                waveType.Bind(wx.EVT_COMBOBOX,OnWaveType)
-                waveHead.Add(waveType,0,WACV)
+                if Stype == 'Smag' and len(waveBlk):    #only allow one magnetic wave - keeps it simple for now
+                    pass
+                else:
+                    waveAdd = wx.CheckBox(waveData,label='Add wave?   WaveType: ')
+                    waveAdd.Bind(wx.EVT_CHECKBOX, OnAddWave)
+                    Indx[waveAdd.GetId()] = Stype
+                    waveHead.Add(waveAdd,0,WACV)
+                    waveType = wx.ComboBox(waveData,value=waveTyp,choices=waveTypes[Stype],
+                        style=wx.CB_READONLY|wx.CB_DROPDOWN)
+                    Indx[waveType.GetId()] = Stype
+                    waveType.Bind(wx.EVT_COMBOBOX,OnWaveType)
+                    waveHead.Add(waveType,0,WACV)
                 waveSizer.Add(waveHead)
                 if len(waveBlk):

trunk/GSASIIpwdGUI.py

@@ -4416 +4416 @@
     if ssopt.get('Use',False):        #super lattice display
         indChoice = ['1','2','3','4',]
+        if 'MagSpGrp' in SGData:    #limit to one for magnetic SS for now
+            indChoice = ['1',]
         SpSg = controls[13]
         SGData = G2spc.SpcGroup(SpSg)[1]

trunk/GSASIIstrMath.py

@@ -1488 +1488 @@
     SGMT = np.array([ops[0].T for ops in SGData['SGOps']])
     Ncen = len(SGData['SGCen'])
-    Nops = len(SGMT)*Ncen*(1+SGData['SGInv'])
+    Nops = len(SGMT)*(1+SGData['SGInv'])
     SSGMT = np.array([ops[0].T for ops in SSGData['SSGOps']])
     SSGT = np.array([ops[1] for ops in SSGData['SSGOps']])
@@ -1594 +1594 @@
             sinm = np.sin(phasem)
             MF = refDict['FF']['MF'][iBeg:iFin].T[Tindx].T   #Nref,Natm
-            TMcorr = 0.539*(np.reshape(Tiso,Tuij.shape)*Tuij)[:,0,:]*Mdata*MF/(2.*Nops)     #Nref,Natm
+            TMcorr = 0.539*(np.reshape(Tiso,Tuij.shape)*Tuij)[:,0,:]*Mdata*Fdata*MF/(2.*Nops)     #Nref,Natm
 #                      
             HM = np.inner(Bmat,HP.T)                            #put into cartesian space
@@ -1606 +1606 @@
 #for modulated moments --> m != 0 reflections
         
-            fams = .5*TMcorr[:,nxs,nxs,:,nxs]*np.array([np.where(H[3,i]!=0,(MmodA*cosm[i,nxs,:,:,nxs]-    \
+            fams = TMcorr[:,nxs,nxs,:,nxs]*np.array([np.where(H[3,i]!=0,(MmodA*cosm[i,nxs,:,:,nxs]-    \
                 np.sign(H[3,i])*MmodB*sinm[i,nxs,:,:,nxs]),0.) for i in range(mRef)])          #Nref,Ntau,Nops,Natm,Mxyz
                         
-            fbms = .5*TMcorr[:,nxs,nxs,:,nxs]*np.array([np.where(H[3,i]!=0,(MmodA*sinm[i,nxs,:,:,nxs]+    \
+            fbms = TMcorr[:,nxs,nxs,:,nxs]*np.array([np.where(H[3,i]!=0,(MmodA*sinm[i,nxs,:,:,nxs]+    \
                 np.sign(H[3,i])*MmodB*cosm[i,nxs,:,:,nxs]),0.) for i in range(mRef)])          #Nref,Ntau,Nops,Natm,Mxyz