Changeset 3745

Timestamp:

Nov 30, 2018 2:24:07 PM (5 years ago)

Author:

vondreele

Message:

fix dmin problem in Unit Cells cell refinement, etc.
add magnetic spin colors to SGMessageBox
fixes to mag moment modulation symmetry constraints

Location:

trunk

Files:

• GSASIIctrlGUI.py (modified) (4 diffs)
• GSASIIpwdGUI.py (modified) (1 diff)
• GSASIIspc.py (modified) (1 diff)

trunk/GSASIIctrlGUI.py

@@ -3143 +3143 @@
     in two blocks
     '''
-    def __init__(self,parent,title,text,table,):
+    def __init__(self,parent,title,text,table,spins=[],):
         wx.Dialog.__init__(self,parent,wx.ID_ANY,title,pos=wx.DefaultPosition,
             style=wx.DEFAULT_DIALOG_STYLE|wx.RESIZE_BORDER)
@@ -3149 +3149 @@
         self.table = table
         self.panel = wx.Panel(self)
+        self.spins = spins
         mainSizer = wx.BoxSizer(wx.VERTICAL)
         mainSizer.Add((0,10))
@@ -3167 +3168 @@
             for i,fld in enumerate(flds):
                 if i < ncol-1:
-                    tableSizer.Add(wx.StaticText(self.panel,label='%s, '%(fld)),0,WACV|wx.ALIGN_RIGHT)
+                    text = wx.StaticText(self.panel,label='%s, '%(fld))
                 else:
-                    tableSizer.Add(wx.StaticText(self.panel,label='%s'%(fld)),0,WACV|wx.ALIGN_RIGHT)
+                    text = wx.StaticText(self.panel,label='%s'%(fld))
+                if len(self.spins) and self.spins[j] < 0:
+                    text.SetForegroundColour('Red')
+                tableSizer.Add(text,0,WACV|wx.ALIGN_RIGHT)
             if not j%2:
                 tableSizer.Add((20,0))
@@ -3256 +3260 @@
                         if i < ncol-1:
                             text = wx.StaticText(self.panel,label='%s, '%(fld))
-                            tableSizer.Add(text,0,WACV)
                         else:
                             text = wx.StaticText(self.panel,label='%s '%(fld))
-                            tableSizer.Add(text,0,WACV)
+                        tableSizer.Add(text,0,WACV)
                     text = wx.StaticText(self.panel,label=' (%s) '%(self.names[j%Nnames]))
                     try:

trunk/GSASIIpwdGUI.py

@@ -3004 +3004 @@
     if 'C' in Inst['Type'][0] or 'PKS' in Inst['Type'][0]:
         wave = G2mth.getWave(Inst)
-        dmin = max(1.0,G2lat.Pos2dsp(Inst,Limits[1]))
+#        dmin = max(1.0,G2lat.Pos2dsp(Inst,Limits[1]))
+        dmin = G2lat.Pos2dsp(Inst,Limits[1])
     else:
         difC = Inst['difC'][1]
-        dmin = max(1.0,G2lat.Pos2dsp(Inst,Limits[0]))
+#        dmin = max(1.0,G2lat.Pos2dsp(Inst,Limits[0]))
+        dmin = G2lat.Pos2dsp(Inst,Limits[0])
     
     def SetLattice(controls):

trunk/GSASIIspc.py

@@ -2920 +2920 @@
                 dMTP.append(dMT)
                 for i in range(3):
-                    if 'm(' in siteSym and not np.allclose(dM[i,i,:],-dMT[i,i,:]):
+                    if not np.allclose(dM[i,i,:],sdet*dMT[i,i,:]):
                         msc[i] = 0
-                    elif '2(' in siteSym and not np.allclose(dM[i,i,:],dMT[i,i,:]):
-                        msc[i] = 0
-                    if 'm(' in siteSym and not np.allclose(dM[i,i+3,:],-dMT[i,i+3,:]):
-                        msc[i+3] = 0
-                    elif '2(' in siteSym and not np.allclose(dM[i,i+3,:],dMT[i,i+3,:]):
+                    if not np.allclose(dM[i,i+3,:],sdet*dMT[i,i+3,:]):
                         msc[i+3] = 0
                 if np.any(dtau%.5) and ('1/2' in SSGData['modSymb'] or '1' in SSGData['modSymb']):