Changeset 4063


Ignore:
Timestamp:
Jul 15, 2019 3:14:18 PM (2 years ago)
Author:
vondreele
Message:

fix triclinic indexing
change "Load cell from phase" to "Load Phase"

Location:
trunk
Files:
2 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIdataGUI.py

    r4060 r4063  
    53505350            'Run Bilboa "Lattice Symmetry" to find higher symmetry cells')
    53515351        self.RunSubGroups = self.IndexEdit.Append(G2G.wxID_RUNSUB,'Run SUBGROUPS',
    5352             'If disabled, do Load Cell first')
     5352            'If disabled, do Load Phase first')
    53535353        self.RunSubGroupsMag = self.IndexEdit.Append(G2G.wxID_RUNSUBMAG,'Run k-SUBGROUPMAG',
    5354             'If disabled, do Load Cell first')
     5354            'If disabled, do Load Phase first')
    53555355        self.CopyCell = self.IndexEdit.Append(G2G.wxID_COPYCELL,'Copy Cell',
    53565356            'Copy selected unit cell from indexing to cell refinement fields')
    5357         self.LoadCell = self.IndexEdit.Append(G2G.wxID_LOADCELL,'Load Cell from phase',
     5357        self.LoadCell = self.IndexEdit.Append(G2G.wxID_LOADCELL,'Load Phase',
    53585358            'Load unit cell from a phase tree entry')
    53595359        self.ImportCell = self.IndexEdit.Append(G2G.wxID_IMPORTCELL,'Import Cell',
  • trunk/GSASIIpwdGUI.py

    r4062 r4063  
    30373037    SPGlist = G2spc.spglist
    30383038    bravaisSymb = ['Fm3m','Im3m','Pm3m','R3-H','P6/mmm','I4/mmm','P4/mmm',
    3039         'Fmmm','Immm','Ammm','Bmmm','Cmmm','Pmmm','I2/m','C2/m','P2/m','C1','P1']
     3039        'Fmmm','Immm','Ammm','Bmmm','Cmmm','Pmmm','I2/m','C2/m','P2/m','P1','C1']
    30403040    spaceGroups = ['F m 3 m','I m 3 m','P m 3 m','R 3 m','P 6/m m m','I 4/m m m',
    3041         'P 4/m m m','F m m m','I m m m','A m m m','B m m m','C m m m','P m m m','I 2/m','C 2/m','P 2/m','C -1','P -1']
     3041        'P 4/m m m','F m m m','I m m m','A m m m','B m m m','C m m m','P m m m','I 2/m','C 2/m','P 2/m','P -1','C -1']
    30423042    Inst = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,G2frame.PatternId, 'Instrument Parameters'))[0]
    30433043    Limits = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,G2frame.PatternId, 'Limits'))[1]
    30443044    if 'C' in Inst['Type'][0] or 'PKS' in Inst['Type'][0]:
    30453045        wave = G2mth.getWave(Inst)
    3046 #        dmin = max(1.0,G2lat.Pos2dsp(Inst,Limits[1]))
    30473046        dmin = G2lat.Pos2dsp(Inst,Limits[1])
    30483047    else:
    30493048        difC = Inst['difC'][1]
    3050 #        dmin = max(1.0,G2lat.Pos2dsp(Inst,Limits[0]))
    30513049        dmin = G2lat.Pos2dsp(Inst,Limits[0])
    30523050   
     
    30653063        elif controls[5] in ['C2/m','P2/m','I2/m']:
    30663064            controls[9] = controls[11] = 90.  # b unique
    3067 #        if len(controls) < 13: controls.append(0)
    30683065        controls[12] = G2lat.calc_V(G2lat.cell2A(controls[6:12]))
    30693066        return ibrav
     
    30863083        if controls[5] in ['Fm3m','Im3m','Pm3m']:
    30873084            SSopt.SetValue(False)
    3088             G2frame.ErrorDialog('Cubic lattice',
    3089                                 'Incommensurate superlattice not possible with a cubic lattice')
     3085            G2frame.ErrorDialog('Cubic lattice','Incommensurate superlattice not possible with a cubic lattice')
    30903086            return
    30913087        ssopt['Use'] = SSopt.GetValue()
     
    32313227        inc = float(shiftChoices[shiftSel.GetSelection()][:-1])
    32323228        move = Obj.GetValue()  # +1 or -1
    3233 #        if ObjId//2 >= 3: # angle movements could be bigger
    3234 #            move *= 2
    32353229        Obj.SetValue(0)
    32363230        value = float(valObj.GetValue()) * (1. + move*inc/100.)
     
    36273621       
    36283622    KeyList = []
     3623   
    36293624    def ClearCurrentShowNext():
    36303625        KeepShowNext(False)
     3626       
    36313627    KeyList += [['j',ClearCurrentShowNext,'Show next Mag. Spc. Group, clear keep flag on current']]       
     3628   
    36323629    def KeepCurrentShowNext():
    36333630        KeepShowNext(True)
    3634     KeyList += [['k',KeepCurrentShowNext,'Show next Mag. Spc. Group, keep current']]       
     3631       
     3632    KeyList += [['k',KeepCurrentShowNext,'Show next Mag. Spc. Group, keep current']]
     3633       
    36353634    def KeepShowNext(KeepCurrent=True):
    36363635        '''Show next "keep" item in Magnetic Space Group list, possibly resetting the
     
    39343933        wx.EndBusyCursor()
    39353934        if not page: return
    3936         while cells: cells.pop() # cells.clear() is much cleaner but not Py2
     3935#        while cells: cells.pop() # cells.clear() is much cleaner but not Py2
    39373936        for i,(cell,mat) in enumerate(kSUB.parseBilbaoCheckLattice(page)):
    39383937            cells.append([])
     
    41764175    if len(controls) < 15:
    41774176        controls.append(list(range(1,len(magcells)+1)))
    4178     if len(bravais) < 16:
    4179         bravais += [0,0,]
    4180     if len(bravais) < 17:
     4177    while len(bravais) < 17:
    41814178        bravais += [0,]
    41824179    SGData = ssopt.get('SGData',G2spc.SpcGroup(controls[13])[1])
     
    41854182        'Tetragonal-I','Tetragonal-P','Orthorhombic-F','Orthorhombic-I','Orthorhombic-A',
    41864183        'Orthorhombic-B','Orthorhombic-C','Orthorhombic-P',
    4187         'Monoclinic-I','Monoclinic-C','Monoclinic-P','Triclinic','Triclinic']
     4184        'Monoclinic-I','Monoclinic-C','Monoclinic-P','Triclinic','Triclinic',]
    41884185    cellGUIlist = [[[0,1,2],4,zip([" Unit cell: a = "," Vol = "],[(10,5),"%.3f"],[True,False],[0,0])],
    41894186    [[3,4,5,6],6,zip([" Unit cell: a = "," c = "," Vol = "],[(10,5),(10,5),"%.3f"],[True,True,False],[0,2,0])],
     
    42604257    mainSizer.Add((5,5),0)
    42614258    littleSizer = wx.BoxSizer(wx.HORIZONTAL)
    4262     littleSizer.Add(wx.StaticText(G2frame.dataWindow,label="Bravais\nlattice",style=wx.ALIGN_CENTER),0,WACV,5)
     4259    littleSizer.Add(wx.StaticText(G2frame.dataWindow,label=" Bravais  \n lattice ",style=wx.ALIGN_CENTER),0,WACV,5)
    42634260    bravSel = wx.Choice(G2frame.dataWindow,choices=bravaisSymb,size=(75,-1))
    42644261    bravSel.SetSelection(bravaisSymb.index(controls[5]))
    42654262    bravSel.Bind(wx.EVT_CHOICE,OnBravSel)
    42664263    littleSizer.Add(bravSel,0,WACV)
    4267     littleSizer.Add(wx.StaticText(G2frame.dataWindow,label="Space\ngroup",style=wx.ALIGN_CENTER),0,WACV,5)
     4264    littleSizer.Add(wx.StaticText(G2frame.dataWindow,label=" Space  \n group  ",style=wx.ALIGN_CENTER),0,WACV,5)
    42684265    spcSel = wx.Choice(G2frame.dataWindow,choices=SPGlist[controls[5]],size=(75,-1))
    42694266    spcSel.SetSelection(SPGlist[controls[5]].index(controls[13]))
     
    42734270        controls[0] = False
    42744271    else:
    4275         littleSizer.Add(wx.StaticText(G2frame.dataWindow,label=" Zero offset"),0,WACV)
     4272        littleSizer.Add(wx.StaticText(G2frame.dataWindow,label=" Zero offset "),0,WACV)
    42764273        zero = G2G.ValidatedTxtCtrl(G2frame.dataWindow,controls,1,nDig=(10,4),typeHint=float,
    42774274                                    min=-5.,max=5.,size=(50,-1))
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