Changeset 3573


Ignore:
Timestamp:
Aug 27, 2018 9:06:23 AM (3 years ago)
Author:
vondreele
Message:

fix 2 bugs in vector rigid body stuff
add setting 1 to setting 2 vector for Bilbao results

Location:
trunk
Files:
2 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIphsGUI.py

    r3570 r3573  
    24522452        opt = dlg.ShowModal()
    24532453        if opt == wx.ID_OK:
    2454             vvec = np.zeros(3)  #spg2origins
    24552454            sel = dlg.GetSelection()
    24562455            magchoice = magKeep[sel]
     
    24622461            generalData['Cell'][1:] = magchoice['Cell']
    24632462            SGData = generalData['SGData']
     2463            vvec = np.array(G2spc.spg2origins.get(SGData['SpGrp'],[0.,0.,0.]))
    24642464            newPhase,atCodes = G2lat.TransformPhase(data,newPhase,magchoice['Trans'],magchoice['Uvec'],vvec,True)
    24652465            Atoms = newPhase['Atoms']
  • trunk/GSASIIstrIO.py

    r3438 r3573  
    754754        rbRef = RBModel['rbRef']
    755755        atTypes = RBModel['rbTypes']
    756         pFile.write('Vector RB name: %s no.atoms: No. times used: %d\n'%
     756        pFile.write('Vector RB name: %s no.atoms: %d No. times used: %d\n'%
    757757            (RBModel['RBname'],len(RBModel['rbTypes']),RBModel['useCount']))
    758758        for i in range(len(RBModel['VectMag'])):
     
    928928                Qrijk = RB['Orient'][0]
    929929                Angle = 2.0*acosd(Qrijk[0])
    930                 pFile.write('\nRBObject %s',' at %10.4f %10.4f %10.4f Refine? %s\n'%
     930                pFile.write('\nRBObject %s at %10.4f %10.4f %10.4f Refine? %s\n'%
    931931                    (RB['RBname'],Oxyz[0],Oxyz[1],Oxyz[2],RB['Orig'][1]))
    932932                pFile.write('Orientation angle,vector: %10.3f %10.4f %10.4f %10.4f Refine? %s\n'%
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