Changeset 3554 for trunk/GSASIIpwdGUI.py


Ignore:
Timestamp:
Aug 6, 2018 8:27:37 AM (3 years ago)
Author:
vondreele
Message:

add volume & space group defaults to Unit cell controls defaults

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIpwdGUI.py

    r3521 r3554  
    27672767        elif controls[5] in ['C2/m','P2/m']:
    27682768            controls[9] = controls[11] = 90.  # b unique
    2769         if len(controls) < 13: controls.append(0)
     2769#        if len(controls) < 13: controls.append(0)
    27702770        controls[12] = G2lat.calc_V(G2lat.cell2A(controls[6:12]))
    27712771        return ibrav
     
    30203020        controls[4] = 1
    30213021        controls[5] = bravaisSymb[cell[0]]
    3022         controls[6:12] = cell[1:8]
     3022        controls[6:13] = cell[1:8]
    30233023        controls[12] = G2lat.calc_V(G2lat.cell2A(controls[6:12]))
    30243024        controls[13] = spaceGroups[bravaisSymb.index(controls[5])]
     
    30443044        controls[5] = (SGData['SGLatt']+SGData['SGLaue']).replace('-','')
    30453045        if 'R' in controls[5]: controls[5] = 'R3-H'
    3046         controls[6:12] = Cell[1:8]
     3046        controls[6:13] = Cell[1:8]
    30473047        controls[13] = SGData['SpGrp']
    3048         G2frame.GPXtree.SetItemPyData(UnitCellsId,[controls,bravais,cells,dmin,ssopt])
     3048#        G2frame.GPXtree.SetItemPyData(UnitCellsId,[controls,bravais,cells,dmin,ssopt])
    30493049        G2frame.dataWindow.RefineCell.Enable(True)
     3050        OnHklShow(None)
    30503051        wx.CallAfter(UpdateUnitCellsGrid,G2frame,data)
    30513052       
     
    30623063        controls[5] = (SGData['SGLatt']+SGData['SGLaue']).replace('-','')
    30633064        if 'R' in controls[5]: controls[5] = 'R3-H'
    3064         controls[6:12] = Cell[1:8]
     3065        controls[6:13] = Cell[1:8]
    30653066        controls[13] = SGData['SpGrp']
    3066         G2frame.GPXtree.SetItemPyData(UnitCellsId,[controls,bravais,cells,dmin,ssopt])
     3067#        G2frame.GPXtree.SetItemPyData(UnitCellsId,[controls,bravais,cells,dmin,ssopt])
    30673068        G2frame.dataWindow.RefineCell.Enable(True)
     3069        OnHklShow(None)
    30683070        wx.CallAfter(UpdateUnitCellsGrid,G2frame,data)
    30693071               
     
    33363338        newSpGrp = ''
    33373339        BNSlatt = ''
     3340        E,SGData = G2spc.SpcGroup(controls[13])
    33383341        phase = {'General':{'Name':'','Type':Type,'Cell':['',]+controls[6:13],'SGData':SGData}}
    33393342        dlg = G2phsG.TransformDialog(G2frame,phase,Trans,Uvec,Vvec,ifMag,newSpGrp,BNSlatt)
     
    33743377       
    33753378    controls,bravais,cells,dminx,ssopt = data
    3376     if len(controls) < 13:              #add cell volume if missing
     3379    if len(controls) < 13:              #add cell volume & space group if missing
    33773380        controls.append(G2lat.calc_V(G2lat.cell2A(controls[6:12])))
    3378     if len(controls) < 14:              #add space group used in indexing
    33793381        controls.append(spaceGroups[bravaisSymb.index(controls[5])])
     3382    controls,bravais,cells,dminx,ssopt = data
    33803383    SGData = ssopt.get('SGData',G2spc.SpcGroup(controls[13])[1])
    33813384    G2frame.GPXtree.SetItemPyData(UnitCellsId,data)            #update with volume
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