Changeset 1955
- Timestamp:
- Aug 11, 2015 9:35:20 AM (7 years ago)
- Location:
- trunk
- Files:
-
- 3 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASIIpwdGUI.py
r1945 r1955 1220 1220 G2frame.ErrorDialog('Can not calibrate','Index Peak List empty') 1221 1221 return 1222 if not np.any(IndexPeaks[1]): 1223 G2frame.ErrorDialog('Can not calibrate','Peak positions not refined') 1224 return False 1222 1225 Ok = False 1223 1226 for peak in IndexPeaks[0]: -
trunk/GSASIIspc.py
r1954 r1955 1519 1519 fsc[i] = 0 1520 1520 FSC &= fsc 1521 #print SSMT2text(ssop).replace(' ',''),sdet,ssdet,epsinv,fsc1521 if debug: print SSMT2text(ssop).replace(' ',''),sdet,ssdet,epsinv,fsc 1522 1522 n = -1 1523 1523 for i,F in enumerate(FSC): … … 1610 1610 xsc[:2] = 0 1611 1611 XSC &= xsc 1612 #print SSMT2text(ssop).replace(' ',''),sdet,ssdet,epsinv,xsc1612 if debug: print SSMT2text(ssop).replace(' ',''),sdet,ssdet,epsinv,xsc 1613 1613 if waveType == 'Fourier': 1614 1614 n = -1 1615 #print XSC1615 if debug: print XSC 1616 1616 for i,X in enumerate(XSC): 1617 1617 if X: … … 1716 1716 usc[6:8] = 0 1717 1717 1718 #print SSMT2text(ssop).replace(' ',''),sdet,ssdet,epsinv,usc1718 if debug: print SSMT2text(ssop).replace(' ',''),sdet,ssdet,epsinv,usc 1719 1719 USC &= usc 1720 #print USC1720 if debug: print USC 1721 1721 if not np.any(dtau%.5): 1722 1722 n = -1 … … 1729 1729 return CSI,dU,dUTP 1730 1730 1731 #print 'super space group: ',SSGData['SSpGrp']1731 if debug: print 'super space group: ',SSGData['SSpGrp'] 1732 1732 CSI = {'Sfrac':[[[1,0],[2,0]],[[1.,0.],[1.,0.]]], 1733 1733 'Spos':[[[1,0,0],[2,0,0],[3,0,0], [4,0,0],[5,0,0],[6,0,0]], … … 1744 1744 laue = SGData['SGLaue'] 1745 1745 siteSym = SytSym(XYZ,SGData)[0].strip() 1746 #print 'siteSym: ',siteSym1746 if debug: print 'siteSym: ',siteSym 1747 1747 if siteSym == '1': #"1" site symmetry 1748 1748 if debug: … … 1781 1781 OpText = [MT2text(s).replace(' ','') for s in Sop] #debug? 1782 1782 SSOpText = [SSMT2text(ss).replace(' ','') for ss in SSop] #debug? 1783 #print 'special pos super operators: ',SSOpText1783 if debug: print 'special pos super operators: ',SSOpText 1784 1784 #setup displacement arrays 1785 1785 tau = np.linspace(-1,1,49,True) -
trunk/GSASIIstrMath.py
r1924 r1955 715 715 fbsq = fbs**2 #imaginary 716 716 refl[9+im] = np.sum(fasq)+np.sum(fbsq) 717 refl[7+im] = np.sum(fasq)+np.sum(fbsq) 717 718 refl[10+im] = atan2d(fbs[0],fas[0]) 718 719
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