Changeset 2116
- Timestamp:
- Jan 7, 2016 12:40:19 PM (7 years ago)
- Location:
- trunk
- Files:
-
- 3 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASIIgrid.py
r2110 r2116 57 57 wxID_CHARGEFLIP, wxID_PEAKSUNIQUE, wxID_PEAKSDELETE, wxID_PEAKSDA, 58 58 wxID_PEAKSDISTVP, wxID_PEAKSVIEWPT, wxID_FINDEQVPEAKS,wxID_SHOWBONDS,wxID_MULTIMCSA, 59 wxID_SINGLEMCSA,wxID_4DCHARGEFLIP, 60 ] = [wx.NewId() for item in range(1 6)]59 wxID_SINGLEMCSA,wxID_4DCHARGEFLIP,wxID_TRANSFORMSTRUCTURE, 60 ] = [wx.NewId() for item in range(17)] 61 61 62 62 [ wxID_PWDRADD, wxID_HKLFADD, wxID_PWDANALYSIS, wxID_PWDCOPY, wxID_PLOTCTRLCOPY, … … 1210 1210 self.GeneralCalc.Append(help='Run Monte Carlo - Simulated Annealing on multiprocessors',id=wxID_MULTIMCSA, kind=wx.ITEM_NORMAL, 1211 1211 text='Multi MC/SA') #currently not useful 1212 self.GeneralCalc.Append(help='Transform crystal structure',id=wxID_TRANSFORMSTRUCTURE, kind=wx.ITEM_NORMAL, 1213 text='Transform') 1212 1214 self.PostfillDataMenu() 1213 1215 -
trunk/GSASIIphsGUI.py
r2113 r2116 1174 1174 G2frame.dataFrame.SetStatusText('') 1175 1175 SetPhaseWindow(G2frame.dataFrame,General,mainSizer,Scroll) 1176 1177 def OnTransform(event): 1178 '''What is needed here? Get user to refer to Intl. Tables 1A (or Bilbao server) & use new 1179 space group, cell transformation & origin displacement (if needed) given therein. 1180 Do this in popup dialog box with OK, Cancel buttons; if OK 1181 apply to lattice parameters & atom position/Uij parameters 1182 need to start with full unit cell contents, transform & then filter out symm. equiv. 1183 ''' 1184 print 'Transform crystal structure - TBD' 1185 1186 1176 1187 1177 1188 ################################################################################ … … 5700 5711 data['MCSA']['Results'] = [] 5701 5712 UpdateMCSA() 5702 5713 5703 5714 ################################################################################ 5704 5715 ##### Pawley routines … … 6388 6399 G2frame.dataFrame.Bind(wx.EVT_MENU, OnRunSingleMCSA, id=G2gd.wxID_SINGLEMCSA) 6389 6400 G2frame.dataFrame.Bind(wx.EVT_MENU, OnRunMultiMCSA, id=G2gd.wxID_MULTIMCSA) 6401 G2frame.dataFrame.Bind(wx.EVT_MENU, OnTransform, id=G2gd.wxID_TRANSFORMSTRUCTURE) 6390 6402 # Data 6391 6403 FillSelectPageMenu(TabSelectionIdDict, G2frame.dataFrame.DataMenu) -
trunk/imports/G2phase.py
r2050 r2116 413 413 elif 'spgroup' in S: 414 414 if 'X' in S: 415 raise self.ImportException(" Supersymmetry "+S+" too high; GSAS-II limited to (3+1) supersymmetry")415 raise self.ImportException("Ad hoc Supersymmetry centering "+S+" not allowed in GSAS-II") 416 416 SpGrp = S.split()[1] 417 417 SuperSg = ''
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