Changeset 3097 for trunk/GSASIIphsGUI.py


Ignore:
Timestamp:
Sep 24, 2017 8:02:10 PM (4 years ago)
Author:
vondreele
Message:

fix origin shift transformation & vec,matrix, vec transformations; now works

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIphsGUI.py

    r3095 r3097  
    377377            else:
    378378                if self.Common == G2gd.commonNames[-1]:      #change setting
    379                     self.Vec = G2spc.spg2origins[self.oldSpGrp]
     379                    self.Vvec = G2spc.spg2origins[self.oldSpGrp]
    380380                    self.newSpGrp = self.oldSpGrp
    381381                else:
     
    21882188            cx,ct,cs,cia = generalData['AtomPtrs']
    21892189            SGData = generalData['SGData']
    2190        
     2190            if SGData['SpGrp'] in G2spc.spg2origins:
     2191                T = G2spc.spg2origins[SGData['SpGrp']]
    21912192            Atoms = data['Atoms']
    21922193            for atom in Atoms:
    2193                 for i in range(3):
    2194                     atom[cx+i] -= Uvec[i]
    2195                 atom[cs:cs+2] = G2spc.SytSym(atom[cx:cx+3],SGData)[:2]
     2194                for i in [0,1,2]:
     2195                    atom[cx+i] += T[i]
    21962196            data['Drawing'] = []
    21972197        else:
    21982198            phaseName = newPhase['General']['Name']
    2199             newPhase,atCodes = G2lat.TransformPhase(data,newPhase,Trans,Vvec,ifMag)
     2199            newPhase,atCodes = G2lat.TransformPhase(data,newPhase,Trans,Uvec,Vvec,ifMag)
    22002200            detTrans = np.abs(nl.det(Trans))
    22012201   
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