#test
import sys
import wx
import GSASIIpath
GSASIIpath.SetBinaryPath()
import GSASIIspc as G2spc
import GSASIIctrlGUI as G2G
try:
wx.NewIdRef
wx.NewId = wx.NewIdRef
except AttributeError:
pass
[wxID_FILEEXIT,
] = [wx.NewId() for _init_coll_File_Items in range(1)]
WACV = wx.ALIGN_CENTER_VERTICAL
laueSS = {'2/m':['(a0g)','(a1/2g)','(0b0)','(1/2b0)','(0b1/2)','(1/2b1/2)'],
'mmm':['(a00)','(a1/20)','(a01/2)','(a1/21/2)','(a10)','(a01)',
'(0b0)','(1/2b0)','(0b1/2)','(1/2b1/2)','(1b0)','(0b1)',
'(00g)','(1/20g)','(01/2g)','(1/21/2g)','(10g)','(01g)']}
laueTS = {'2/m':['','s','s0','0s','ss'],
'mmm':['000','s00','0s0','00s','ss0','s0s','0ss','q00','0q0','00q','0qq','q0q','qq0'],
}
[docs]
class testSSymbols(wx.Frame):
def _init_ctrls(self, parent):
wx.Frame.__init__(self, name='testSSymbols', parent=parent,
size=wx.DefaultSize,style=wx.DEFAULT_FRAME_STYLE, title='Test SS symbols')
self.testSSMenu = wx.MenuBar()
self.File = wx.Menu(title='')
self.File.Append(wxID_FILEEXIT,'Exit','Exit from testSS')
self.Bind(wx.EVT_MENU, self.OnFileExit, id=wxID_FILEEXIT)
self.testSSMenu.Append(menu=self.File, title='Run')
self.SetMenuBar(self.testSSMenu)
self.testSSPanel = wx.Window(self)
def __init__(self, parent):
self._init_ctrls(parent)
self.Bind(wx.EVT_CLOSE, self.ExitMain)
self.dataFrame = None
Data = {'SGData':G2spc.SpcGroup('P 1')[1],'SuperSg':'(abg)',}
self.UpdateData(Data)
def ExitMain(self, event):
sys.exit()
def OnFileExit(self,event):
if self.dataFrame:
self.dataFrame.Clear()
self.dataFrame.Destroy()
self.Close()
def UpdateData(self,Data):
def OnExhaustive(event):
SSList = G2spc.SSChoice(Data['SGData'])
print(SSList)
def OnSpaceGroup(event):
Flds = SGTxt.GetValue().split()
#get rid of extra spaces between fields first
for fld in Flds: fld = fld.strip()
SpcGp = ' '.join(Flds)
# try a lookup on the user-supplied name
SpGrpNorm = G2spc.StandardizeSpcName(SpcGp)
if SpGrpNorm:
SGErr,SGData = G2spc.SpcGroup(SpGrpNorm)
else:
SGErr,SGData = G2spc.SpcGroup(SpcGp)
if SGErr:
text = [G2spc.SGErrors(SGErr)+'\nSpace Group set to previous']
SGTxt.SetValue(Data['SGData']['SpGrp'])
msg = 'Space Group Error'
Style = wx.ICON_EXCLAMATION
Text = '\n'.join(text)
wx.MessageBox(Text,caption=msg,style=Style)
else:
text,table = G2spc.SGPrint(SGData)
Data['SGData'] = SGData
SGTxt.SetValue(Data['SGData']['SpGrp'])
msg = 'Space Group Information'
G2G.SGMessageBox(self,msg,text,table).Show()
SSChoice = G2spc.SSChoice(Data['SGData'])
Data['SuperSg'] = SSChoice[0]
self.UpdateData(Data)
def OnSuperGp(event):
SSymbol = superGp.GetValue()
SpGrp = Data['SGData']['SpGrp']
if Data['SGData']['SGGray']: SpGrp += " 1'"
print('Try: %s%s'%(Data['SGData']['SpGrp'],SSymbol))
E,SSGData = G2spc.SSpcGroup(Data['SGData'],SSymbol)
if SSGData:
text,table = G2spc.SSGPrint(Data['SGData'],SSGData)
Data['SSGData'] = SSGData
Data['SuperSg'] = SSymbol
msg = 'Superspace Group Information'
G2G.SGMessageBox(self,msg,text,table).Show()
print('Super spacegroup operators for '+SSGData['SSpGrp'])
for Op in SSGData['SSGOps']:
print(G2spc.SSMT2text(Op).replace(' ',''))
if SGData['SGInv']:
for Op in SSGData['SSGOps']:
Op = [-Op[0],-Op[1]%1.]
print(G2spc.SSMT2text(Op).replace(' ',''))
else:
text = [E+'\nSuperspace Group set to previous']
superGp.SetValue(Data['SuperSg'])
msg = 'Superspace Group Error'
Style = wx.ICON_EXCLAMATION
Text = '\n'.join(text)
wx.MessageBox(Text,caption=msg,style=Style)
wx.CallAfter(self.UpdateData,Data)
SGData = G2spc.SpcGroup(Data['SGData']['SpGrp'])[1]
self.testSSPanel.DestroyChildren()
mainSizer = wx.FlexGridSizer(0,2,5,5)
mainSizer.Add(wx.StaticText(self.testSSPanel,-1,' Space group: '),0,WACV)
SpGrp = Data['SGData']['SpGrp']
if Data['SGData']['SGGray']: SpGrp += " 1'"
SGTxt = wx.TextCtrl(self.testSSPanel,-1,value=SpGrp,style=wx.TE_PROCESS_ENTER)
SGTxt.Bind(wx.EVT_TEXT_ENTER,OnSpaceGroup)
mainSizer.Add(SGTxt,0,WACV)
mainSizer.Add(wx.StaticText(self.testSSPanel,label=' Superspace group: '+SpGrp),0,WACV)
ssChoice = G2spc.SSChoice(Data['SGData'])
ssSym = Data['SuperSg']
if ssChoice:
superGp = wx.ComboBox(self.testSSPanel,value=ssSym,choices=ssChoice,style=wx.CB_DROPDOWN) #wx.CB_READONLY|
superGp.Bind(wx.EVT_COMBOBOX,OnSuperGp)
superGp.Bind(wx.EVT_TEXT_ENTER,OnSuperGp)
else: #nonstandard space group symbol not in my dictionary
superGp = wx.TextCtrl(self.testSSPanel,value=ssSym,style=wx.TE_PROCESS_ENTER)
superGp.Bind(wx.EVT_TEXT_ENTER,OnSuperGp)
mainSizer.Add(superGp,0,WACV)
mainSizer.Add(wx.StaticText(self.testSSPanel,-1,' Exhaustive try: '),0,WACV)
ESStry = wx.Button(self.testSSPanel,-1,'OK')
ESStry.Bind(wx.EVT_BUTTON,OnExhaustive)
mainSizer.Add(ESStry,0,WACV)
self.testSSPanel.SetSizer(mainSizer)
Size = mainSizer.Fit(self.testSSPanel)
Size[0] = 800
Size[1] = max(Size[1],350)
self.testSSPanel.SetSize(Size)
[docs]
class testSSmain(wx.App):
[docs]
def OnInit(self):
self.main = testSSymbols(None)
self.main.Show()
self.SetTopWindow(self.main)
return True
[docs]
def main():
'Starts main application to compute and plot derivatives'
application = testSSmain(0)
application.MainLoop()
if __name__ == '__main__':
main()