Changeset 2184 for trunk/GSASIIphsGUI.py

Timestamp:

Mar 25, 2016 10:36:47 AM (8 years ago)

Author:

vondreele

Message:

fix problems in adding atoms, etc for 'faulted' phases in the regular phase stuff

File:

• trunk/GSASIIphsGUI.py (modified) (10 diffs)

trunk/GSASIIphsGUI.py

@@ -1205 +1205 @@
         
         mainSizer.Add(FlipSizer())
-        if generalData['Type'] in ['nuclear','macromolecular']:
+        if generalData['Type'] in ['nuclear','macromolecular','faulted',]:
             G2G.HorizontalLine(mainSizer,General)
             mainSizer.Add(MCSASizer())
@@ -1249 +1249 @@
                 if Atoms.GetColLabelValue(c) == 'refine':
                     Type = generalData['Type']
-                    if Type in ['nuclear','macromolecular','modulated']:
+                    if Type in ['nuclear','macromolecular','modulated','faulted',]:
                         choice = ['F - site fraction','X - coordinates','U - thermal parameters']
                     elif Type in ['magnetic',]:
@@ -1669 +1669 @@
         if generalData['Type'] == 'macromolecular':
             atomData.append([0,Name,'',Name,El,'',x,y,z,1,Sytsym,Mult,'I',0.10,0,0,0,0,0,0,atId])
-        elif generalData['Type'] == 'nuclear':
+        elif generalData['Type'] in ['nuclear','faulted',]:
             atomData.append([Name,El,'',x,y,z,1,Sytsym,Mult,'I',0.01,0,0,0,0,0,0,atId])
-        elif generalData['Type'] in ['modulated','magnetic']:
+        elif generalData['Type'] in ['modulated','magnetic',]:
             atomData.append([Name,El,'',x,y,z,1,Sytsym,Mult,'I',0.01,0,0,0,0,0,0,atId,[],[],
                 {'SS1':{'waveType':'Fourier','Sfrac':[],'Spos':[],'Sadp':[],'Smag':[]}}])
@@ -1853 +1853 @@
         generalData = data['General']
         SGData = generalData['SGData']
-        if generalData['Type'] in ['nuclear','modulated',]:
+        if generalData['Type'] in ['nuclear','modulated','faulted',]:
             if oldatom:
                 opr = oldatom[5]
@@ -1888 +1888 @@
         if generalData['Type'] == 'macromolecular':
             atomData.insert(indx,[0,Name,'',Name,El,'',x,y,z,1,Sytsym,Mult,'I',0.10,0,0,0,0,0,0,atId])
-        elif generalData['Type'] == 'nuclear':
+        elif generalData['Type'] in ['nuclear','faulted',]:
             atomData.insert(indx,[Name,El,'',x,y,z,1,Sytsym,Mult,'I',0.01,0,0,0,0,0,0,atId])
         elif generalData['Type'] in ['modulated','magnetic']:
@@ -2411 +2411 @@
         plotDefaults = {'oldxy':[0.,0.],'Quaternion':[0.,0.,0.,1.],'cameraPos':30.,'viewDir':[0,0,1],
             'viewPoint':[[0.,0.,0.],[]],}
+        Indx = {}
 
         def OnLaue(event):
@@ -2526 +2527 @@
             widths = Layers['Width'][0]
             flags = Layers['Width'][1]
-            Indx = {}
             widthSizer = wx.BoxSizer(wx.HORIZONTAL)
             for i in range(2):
@@ -2664 +2664 @@
             Names = [layer['Name'] for layer in Layers['Layers']]
             transArray = Layers['Transitions']
-            Indx = {}
             layerData.transGrids = []
             if not Names or not transArray:
@@ -3272 +3271 @@
             drawingData['showRigidBodies'] = True
         cx,ct,cs,ci = [0,0,0,0]
-        if generalData['Type'] in ['nuclear','modulated']:
+        if generalData['Type'] in ['nuclear','modulated','faulted',]:
             cx,ct,cs,ci = [2,1,6,17]         #x, type, style & index
         elif generalData['Type'] == 'macromolecular':
@@ -4315 +4314 @@
         SetupDrawingData()
         drawingData = data['Drawing']
-        if generalData['Type'] == 'nuclear':
+        if generalData['Type'] in ['nuclear','faulted',]:
             pickChoice = ['Atoms','Bonds','Torsions','Planes']
         elif generalData['Type'] == 'macromolecular':