Changeset 1773 for trunk/GSASIIlattice.py
 Timestamp:
 Apr 2, 2015 10:56:59 AM (7 years ago)
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trunk/GSASIIlattice.py
r1766 r1773 862 862 HKL.append([h,k,l,1/math.sqrt(rdsq)]) 863 863 return sortHKLd(HKL,True,True) 864 865 def GenPfHKLs(nMax,SGData,A): 866 """Generate the unique pole figure reflections for a lattice and Bravais type. 867 Min dspacing=1.0A & no more than nMax returned 868 869 :param nMax: maximum number of hkls returned 870 :param SGData: space group dictionary with at least 871 872 * 'SGLaue': Laue group symbol: one of '1','2/m','mmm','4/m','6/m','4/mmm','6/mmm', '3m1', '31m', '3', '3R', '3mR', 'm3', 'm3m' 873 * 'SGLatt': lattice centering: one of 'P','A','B','C','I','F' 874 * 'SGUniq': code for unique monoclinic axis one of 'a','b','c' (only if 'SGLaue' is '2/m') otherwise an empty string 875 876 :param A: reciprocal metric tensor elements as [G11,G22,G33,2*G12,2*G13,2*G23] 877 :return: HKL = list of 'h k l' strings sorted with largest d first; no duplicate zones 878 879 """ 880 HKL = np.array(GenHLaue(1.0,SGData,A)).T[:3].T #strip dspacings 881 N = min(nMax,len(HKL)) 882 return ['%d %d %d'%(h[0],h[1],h[2]) for h in HKL[:N]] 883 864 884 865 885 def GenSSHLaue(dmin,SGData,SSGData,Vec,maxH,A):
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