Changeset 3212


Ignore:
Timestamp:
Jan 4, 2018 10:29:00 AM (4 years ago)
Author:
vondreele
Message:

fix problem of missing rd.MPhase in phase imports
work on display of gray phases & other magnetic symmetry info.

Location:
trunk
Files:
4 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIctrlGUI.py

    r3209 r3212  
    30053005        ncol = self.table[0].count(',')+1
    30063006        tableSizer = wx.FlexGridSizer(0,2*ncol+3,0,0)
    3007         for j,item in enumerate(self.table):
     3007        j = 0
     3008        for item in self.table:
     3009            if 'for' in item:
     3010                mainSizer.Add(tableSizer,0,wx.ALIGN_LEFT)
     3011                mainSizer.Add(wx.StaticText(self.panel,label=item),0,WACV)
     3012                tableSizer = wx.FlexGridSizer(0,2*ncol+3,0,0)
     3013                continue
    30083014            num,flds = item.split(')')
    30093015            tableSizer.Add(wx.StaticText(self.panel,label='     %s  '%(num+')')),0,WACV|wx.ALIGN_LEFT)           
     
    30163022            if not j%2:
    30173023                tableSizer.Add((20,0))
     3024            j += 1
    30183025        mainSizer.Add(tableSizer,0,wx.ALIGN_LEFT)
    30193026        btnsizer = wx.StdDialogButtonSizer()
  • trunk/GSASIIdataGUI.py

    r3202 r3212  
    891891                psub = self.GPXtree.AppendItem(parent=sub,text=PhaseName)
    892892                self.GPXtree.SetItemPyData(psub,rd.MPhase)
    893             except TypeError:
     893            except AttributeError:
    894894                pass
    895895            self.GPXtree.Expand(self.root) # make sure phases are seen
  • trunk/GSASIIphsGUI.py

    r3211 r3212  
    8484        mainSizer = wx.BoxSizer(wx.VERTICAL)
    8585        mainSizer.Add((0,10))
    86         first = text[0].split(':')[-1].strip()
    8786        cents = [0,]
    8887        if len(Cents) > 1:
     
    9493            if ic:
    9594                cent = cent.strip(' (').strip(')+\n')
    96                 mainSizer.Add(wx.StaticText(self.panel,label=' for (%s)+'%(cent)),0,WACV)
     95                mainSizer.Add(wx.StaticText(self.panel,label='      for (%s)+'%(cent)),0,WACV)
    9796            tableSizer = wx.FlexGridSizer(0,2*ncol+3,0,0)
    9897            for j,item in enumerate(self.table):
     
    18421841                superGp.Bind(wx.EVT_TEXT_ENTER,OnSuperGp)                       
    18431842            modSizer.Add(superGp,0,WACV)
     1843            modSizer.Add((5,5),0)
     1844            showOps = wx.CheckBox(General,label='Show ops.')
     1845            showOps.Bind(wx.EVT_CHECKBOX,OnSuperGp)
     1846            modSizer.Add(showOps,0,WACV)
    18441847            if PWDR:
    18451848                modSizer.Add(wx.StaticText(General,label=' Max index: '),0,WACV)
  • trunk/GSASIIspc.py

    r3211 r3212  
    15721572    Mult = len(SSGData['SSGCen'])*len(SSGData['SSGOps'])*(int(SGData['SGInv'])+1)
    15731573    SSGText = []
    1574     SSGText.append(' Superspace Group: '+SSGData['SSpGrp'])
     1574    SSgSpc = SSGData['SSpGrp']
     1575    if SGData.get('SGGray',False):
     1576        SSgSpc = SSgSpc.replace('('," 1'(")
     1577    SSGText.append(' Superspace Group: '+SSgSpc)
    15751578    CentStr = 'centrosymmetric'
    15761579    if not SGData['SGInv']:
     
    15791582        SSGText.append(' The lattice is '+CentStr+' '+SGData['SGLatt']+'-centered '+SGData['SGSys'].lower())
    15801583    else:
    1581         SSGText.append(' The superlattice is '+CentStr+' '+'primitive '+SGData['SGSys'].lower())       
     1584        SSGText.append(' The superlattice is '+CentStr+' '+'primitive '+SGData['SGSys'].lower())
    15821585    SSGText.append(' The Laue symmetry is '+SGData['SGLaue'])
    1583     SSGText.append(' The superlattice point group is '+SGData['SGPtGrp']+', '+''.join([str(i) for i in SSGData['SSGKl']]))
     1586    SGptGp = SGData['SGPtGrp']
     1587    if SGData.get('SGGray',False):
     1588        SGptGp += "1'"
     1589    SSGText.append(' The superlattice point group is '+SGptGp+', '+''.join([str(i) for i in SSGData['SSGKl']]))
    15841590    SSGText.append(' The number of superspace group generators is '+str(len(SGData['SSGKl'])))
    15851591    SSGText.append(' Multiplicity of a general site is '+str(Mult))
     
    15991605    for i,Opr in enumerate(SSGData['SSGOps']):
    16001606        SSGTable.append('(%2d) %s'%(i+1,SSMT2text(Opr)))
     1607    if SGData.get('SGGray',False):
     1608        SSGTable.append("     for 1'")
     1609        for i,Opr in enumerate(SSGData['SSGOps']):
     1610            Opr2 = [Opr[0],Opr[1]+np.array([0,0,0,.5])]
     1611            SSGTable.append('(%2d) %s'%(i+1,SSMT2text(Opr2)))
    16011612    return SSGText,SSGTable
    16021613   
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