#test import sys import wx import GSASIIspc as G2spc import GSASIIdataGUI as G2gd import GSASIIctrlGUI as G2G import numpy as np import copy def create(parent): return testDeriv(parent) [wxID_FILEEXIT, ] = [wx.NewId() for _init_coll_File_Items in range(1)] WACV = wx.ALIGN_CENTER_VERTICAL class testSSymbols(wx.Frame): def _init_ctrls(self, parent): wx.Frame.__init__(self, name='testSSymbols', parent=parent, size=wx.Size(300, 150),style=wx.DEFAULT_FRAME_STYLE, title='Test SS symbols') self.testSSMenu = wx.MenuBar() self.File = wx.Menu(title='') self.File.Append(help='Exit from testSS', id=wxID_FILEEXIT, kind=wx.ITEM_NORMAL, text='Exit') 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 OnTryAll(event): SSList = G2spc.ssdict.get(Data['SGData']['SpGrp'],['',]) for SSymbol in SSList: 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() else: msg = 'Superspace Group Error for'+SSymbol Style = wx.ICON_EXCLAMATION Text = '\n'+E wx.MessageBox(Text,caption=msg,style=Style) 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.ssdict.get(Data['SGData']['SpGrp'],['',]) Data['SuperSg'] = SSChoice[0] self.UpdateData(Data) def OnSuperGp(event): SSymbol = superGp.GetValue() 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) self.UpdateData(Data) SGData = G2spc.SpcGroup(Data['SGData']['SpGrp'])[1] SSGData = G2spc.SSpcGroup(SGData,Data['SuperSg'])[1] self.testSSPanel.DestroyChildren() mainSizer = wx.FlexGridSizer(0,2,5,5) mainSizer.Add(wx.StaticText(self.testSSPanel,-1,' Space group: '),0,WACV) SGTxt = wx.TextCtrl(self.testSSPanel,-1,value=Data['SGData']['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: '+Data['SGData']['SpGrp']),0,WACV) SSChoice = G2spc.ssdict.get(Data['SGData']['SpGrp'],[]) if SSChoice: superGp = wx.ComboBox(self.testSSPanel,value=Data['SuperSg'],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=Data['SuperSg'],style=wx.TE_PROCESS_ENTER) superGp.Bind(wx.EVT_TEXT_ENTER,OnSuperGp) mainSizer.Add(superGp,0,WACV) mainSizer.Add(wx.StaticText(self.testSSPanel,-1,' Try all SS symbols: '),0,WACV) SStry = wx.Button(self.testSSPanel,-1,'OK') SStry.Bind(wx.EVT_BUTTON,OnTryAll) mainSizer.Add(SStry,0,WACV) self.testSSPanel.SetSizer(mainSizer) Size = mainSizer.Fit(self.testSSPanel) Size[0] = 800 Size[1] = max(Size[1],350) self.testSSPanel.SetSize(Size) class testSSmain(wx.App): def OnInit(self): self.main = testSSymbols(None) self.main.Show() self.SetTopWindow(self.main) return True def main(): 'Starts main application to compute and plot derivatives' application = testSSmain(0) application.MainLoop() if __name__ == '__main__': main()