Changeset 2116


Ignore:
Timestamp:
Jan 7, 2016 12:40:19 PM (6 years ago)
Author:
vondreele
Message:

change error message about 'X' space groups!
add Transform stub in General Compute menu - see bottom of General stuff in G2phsGUI

Location:
trunk
Files:
3 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIgrid.py

    r2110 r2116  
    5757    wxID_CHARGEFLIP, wxID_PEAKSUNIQUE, wxID_PEAKSDELETE, wxID_PEAKSDA,
    5858    wxID_PEAKSDISTVP, wxID_PEAKSVIEWPT, wxID_FINDEQVPEAKS,wxID_SHOWBONDS,wxID_MULTIMCSA,
    59     wxID_SINGLEMCSA,wxID_4DCHARGEFLIP,
    60 ] = [wx.NewId() for item in range(16)]
     59    wxID_SINGLEMCSA,wxID_4DCHARGEFLIP,wxID_TRANSFORMSTRUCTURE,
     60] = [wx.NewId() for item in range(17)]
    6161
    6262[ wxID_PWDRADD, wxID_HKLFADD, wxID_PWDANALYSIS, wxID_PWDCOPY, wxID_PLOTCTRLCOPY,
     
    12101210        self.GeneralCalc.Append(help='Run Monte Carlo - Simulated Annealing on multiprocessors',id=wxID_MULTIMCSA, kind=wx.ITEM_NORMAL,
    12111211            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')
    12121214        self.PostfillDataMenu()
    12131215       
  • trunk/GSASIIphsGUI.py

    r2113 r2116  
    11741174        G2frame.dataFrame.SetStatusText('')
    11751175        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                   
    11761187
    11771188################################################################################
     
    57005711        data['MCSA']['Results'] = []
    57015712        UpdateMCSA()
    5702                    
     5713       
    57035714################################################################################
    57045715##### Pawley routines
     
    63886399        G2frame.dataFrame.Bind(wx.EVT_MENU, OnRunSingleMCSA, id=G2gd.wxID_SINGLEMCSA)
    63896400        G2frame.dataFrame.Bind(wx.EVT_MENU, OnRunMultiMCSA, id=G2gd.wxID_MULTIMCSA)
     6401        G2frame.dataFrame.Bind(wx.EVT_MENU, OnTransform, id=G2gd.wxID_TRANSFORMSTRUCTURE)
    63906402        # Data
    63916403        FillSelectPageMenu(TabSelectionIdDict, G2frame.dataFrame.DataMenu)
  • trunk/imports/G2phase.py

    r2050 r2116  
    413413            elif 'spgroup' in S:
    414414                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")           
    416416                SpGrp = S.split()[1]
    417417                SuperSg = ''
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