Changeset 674
 Timestamp:
 Jul 3, 2012 10:21:10 AM (11 years ago)
 Location:
 trunk
 Files:

 3 edited
Legend:
 Unmodified
 Added
 Removed

trunk/GSASIIimage.py
r661 r674 730 730 else: 731 731 H1 = LRazm 732 H0[0] /= npcosd(H2[:1]) 732 H0[0] /= npcosd(H2[:1])**2 733 733 Nup += 1 734 734 dlg.Update(Nup) 
trunk/GSASIImath.py
r673 r674 863 863 rho = np.roll(np.roll(np.roll(rho,rMI[2],axis=2),rMI[1],axis=1),rMI[0],axis=0) 864 864 return np.array(peaks),np.array([mags,]).T 865 866 def PeaksUnique(data,Ind): 867 generalData = data['General'] 868 cell = generalData['Cell'][1:7] 869 Amat,Bmat = G2lat.cell2AB(generalData['Cell'][1:7]) 870 A = G2lat.cell2A(cell) 871 SGData = generalData['SGData'] 872 mapPeaks = data['Map Peaks'] 873 for ind in Ind: 874 XYZ = np.array(mapPeaks[ind][1:]) 875 Equiv = G2spc.GenAtom(XYZ,SGData,Move=True)[1:] #remove self 876 for equiv in Equiv: #special position fixer 877 Dx = XYZnp.array(equiv[0]) 878 dist = np.sqrt(np.sum(np.inner(Amat,Dx)**2,axis=0)) 879 if dist < 0.5: 880 print equiv[0],Dx,dist 881 mapPeaks[ind][1:] = Dx/2. 
trunk/GSASIIphsGUI.py
r663 r674 3749 3749 3750 3750 def OnPeaksUnique(event): 3751 generalData = data['General']3752 cell = generalData['Cell'][1:7]3753 Amat,Bmat = G2lat.cell2AB(generalData['Cell'][1:7])3754 A = G2lat.cell2A(cell)3755 SGData = generalData['SGData']3756 3751 if 'Map Peaks' in data: 3757 3752 mapPeaks = data['Map Peaks'] 3758 3753 Ind = MapPeaks.GetSelectedRows() 3759 for ind in Ind: 3760 XYZ = np.array(mapPeaks[ind][1:]) 3761 Equiv = G2spc.GenAtom(XYZ,SGData,Move=True)[1:] #remove self 3762 for equiv in Equiv: #special position fixer 3763 Dx = XYZnp.array(equiv[0]) 3764 dist = np.sqrt(np.sum(np.inner(Amat,Dx)**2,axis=0)) 3765 if dist < 0.5: 3766 print equiv[0],Dx,dist 3767 mapPeaks[ind][1:] = Dx/2. 3768 FillMapPeaksGrid() 3769 G2plt.PlotStructure(G2frame,data) 3754 if Ind: 3755 G2mth.PeaksUnique(data,Ind) 3756 FillMapPeaksGrid() 3757 G2plt.PlotStructure(G2frame,data) 3770 3758 3771 3759 def OnFourierMaps(event):
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