Changeset 2184 for trunk/GSASIIphsGUI.py


Ignore:
Timestamp:
Mar 25, 2016 10:36:47 AM (6 years ago)
Author:
vondreele
Message:

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

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIphsGUI.py

    r2183 r2184  
    12051205       
    12061206        mainSizer.Add(FlipSizer())
    1207         if generalData['Type'] in ['nuclear','macromolecular']:
     1207        if generalData['Type'] in ['nuclear','macromolecular','faulted',]:
    12081208            G2G.HorizontalLine(mainSizer,General)
    12091209            mainSizer.Add(MCSASizer())
     
    12491249                if Atoms.GetColLabelValue(c) == 'refine':
    12501250                    Type = generalData['Type']
    1251                     if Type in ['nuclear','macromolecular','modulated']:
     1251                    if Type in ['nuclear','macromolecular','modulated','faulted',]:
    12521252                        choice = ['F - site fraction','X - coordinates','U - thermal parameters']
    12531253                    elif Type in ['magnetic',]:
     
    16691669        if generalData['Type'] == 'macromolecular':
    16701670            atomData.append([0,Name,'',Name,El,'',x,y,z,1,Sytsym,Mult,'I',0.10,0,0,0,0,0,0,atId])
    1671         elif generalData['Type'] == 'nuclear':
     1671        elif generalData['Type'] in ['nuclear','faulted',]:
    16721672            atomData.append([Name,El,'',x,y,z,1,Sytsym,Mult,'I',0.01,0,0,0,0,0,0,atId])
    1673         elif generalData['Type'] in ['modulated','magnetic']:
     1673        elif generalData['Type'] in ['modulated','magnetic',]:
    16741674            atomData.append([Name,El,'',x,y,z,1,Sytsym,Mult,'I',0.01,0,0,0,0,0,0,atId,[],[],
    16751675                {'SS1':{'waveType':'Fourier','Sfrac':[],'Spos':[],'Sadp':[],'Smag':[]}}])
     
    18531853        generalData = data['General']
    18541854        SGData = generalData['SGData']
    1855         if generalData['Type'] in ['nuclear','modulated',]:
     1855        if generalData['Type'] in ['nuclear','modulated','faulted',]:
    18561856            if oldatom:
    18571857                opr = oldatom[5]
     
    18881888        if generalData['Type'] == 'macromolecular':
    18891889            atomData.insert(indx,[0,Name,'',Name,El,'',x,y,z,1,Sytsym,Mult,'I',0.10,0,0,0,0,0,0,atId])
    1890         elif generalData['Type'] == 'nuclear':
     1890        elif generalData['Type'] in ['nuclear','faulted',]:
    18911891            atomData.insert(indx,[Name,El,'',x,y,z,1,Sytsym,Mult,'I',0.01,0,0,0,0,0,0,atId])
    18921892        elif generalData['Type'] in ['modulated','magnetic']:
     
    24112411        plotDefaults = {'oldxy':[0.,0.],'Quaternion':[0.,0.,0.,1.],'cameraPos':30.,'viewDir':[0,0,1],
    24122412            'viewPoint':[[0.,0.,0.],[]],}
     2413        Indx = {}
    24132414
    24142415        def OnLaue(event):
     
    25262527            widths = Layers['Width'][0]
    25272528            flags = Layers['Width'][1]
    2528             Indx = {}
    25292529            widthSizer = wx.BoxSizer(wx.HORIZONTAL)
    25302530            for i in range(2):
     
    26642664            Names = [layer['Name'] for layer in Layers['Layers']]
    26652665            transArray = Layers['Transitions']
    2666             Indx = {}
    26672666            layerData.transGrids = []
    26682667            if not Names or not transArray:
     
    32723271            drawingData['showRigidBodies'] = True
    32733272        cx,ct,cs,ci = [0,0,0,0]
    3274         if generalData['Type'] in ['nuclear','modulated']:
     3273        if generalData['Type'] in ['nuclear','modulated','faulted',]:
    32753274            cx,ct,cs,ci = [2,1,6,17]         #x, type, style & index
    32763275        elif generalData['Type'] == 'macromolecular':
     
    43154314        SetupDrawingData()
    43164315        drawingData = data['Drawing']
    4317         if generalData['Type'] == 'nuclear':
     4316        if generalData['Type'] in ['nuclear','faulted',]:
    43184317            pickChoice = ['Atoms','Bonds','Torsions','Planes']
    43194318        elif generalData['Type'] == 'macromolecular':
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