Changeset 4618


Ignore:
Timestamp:
Oct 22, 2020 2:01:45 PM (12 months ago)
Author:
vondreele
Message:

Update RB atom site frac when origin of RB is shifted from one symmetry element to another

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIphsGUI.py

    r4616 r4618  
    99299929            def OnOrigX(invalid,value,tc):
    99309930                newXYZ = G2mth.UpdateRBXYZ(Bmat,RBObj,RBData,rbType)[0]
     9931                Sytsym,Mult = G2spc.SytSym(rbObj['Orig'][0],SGData)[:2]
     9932                sytsymtxt.SetLabel('Origin site symmetry: %s, multiplicity: %d '%(Sytsym,Mult))
    99319933                for i,Id in enumerate(RBObj['Ids']):
    99329934                    data['Atoms'][AtLookUp[Id]][cx:cx+3] = newXYZ[i]
     9935                    data['Atoms'][AtLookUp[Id]][cx+3] = Mult/maxMult
    99339936                data['Drawing']['Atoms'] = []
    9934                 Sytsym,Mult = G2spc.SytSym(rbObj['Orig'][0],data['General']['SGData'])[:2]
    9935                 sytsymtxt.SetLabel('Origin site symmetry: %s, multiplicity: %d '%(Sytsym,Mult))
    99369937                UpdateDrawAtoms(atomStyle)
    99379938                G2plt.PlotStructure(G2frame,data)
     
    99589959                    pass
    99599960               
     9961            SGData = data['General']['SGData']
     9962            maxMult = len(SGData['SGOps'])*len(SGData['SGCen'])
     9963            if SGData['SGInv']: maxMult *= 2
    99609964            topSizer = wx.FlexGridSizer(0,6,5,5)
    99619965            if type(RBObj['Orig'][0]) is tuple:      # patch because somehow adding RB origin is becoming a tuple
     
    99909994            Qcheck.SetValue(RBObj['Orient'][1])
    99919995            topSizer.Add(Qcheck,0,WACV)
    9992             Sytsym,Mult = G2spc.SytSym(rbObj['Orig'][0],data['General']['SGData'])[:2]
     9996            Sytsym,Mult = G2spc.SytSym(rbObj['Orig'][0],SGData)[:2]
    99939997            sytsymtxt = wx.StaticText(RigidBodies,label='Origin site symmetry: %s, multiplicity: %d '%(Sytsym,Mult))
    99949998            topSizer.Add(sytsymtxt)
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