Changeset 1572 for trunk/GSASIIpwd.py
 Timestamp:
 Nov 17, 2014 4:37:02 PM (7 years ago)
 File:

 1 edited
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trunk/GSASIIpwd.py
r1571 r1572 808 808 def getHKLMpeak(dmin,SGData,SSGData,Vec,maxH,A): 809 809 'needs a doc string' 810 HKL = G2lat.GenHLaue(dmin,SGData,A)811 810 HKLs = [] 812 811 vec = np.array(Vec) 812 vstar = np.sqrt(G2lat.calc_rDsq(vec,A)) #find extra needed for n SS reflections 813 dvec = 1./(maxH*vstar+1./dmin) 814 HKL = G2lat.GenHLaue(dvec,SGData,A) 813 815 SSdH = [vec*h for h in range(maxH,maxH+1)] 814 816 SSdH = dict(zip(range(maxH,maxH+1),SSdH)) 815 817 for h,k,l,d in HKL: 816 818 ext = G2spc.GenHKLf([h,k,l],SGData)[0] 817 if not ext :819 if not ext and d >= dmin: 818 820 HKLs.append([h,k,l,0,d,1]) 819 821 for dH in SSdH: … … 823 825 d = 1/np.sqrt(G2lat.calc_rDsq(H,A)) 824 826 if d >= dmin: 825 HKLs.append([h,k,l,dH,d,1]) 827 HKLM = np.array([h,k,l,dH]) 828 if G2spc.checkSSextc(HKLM,SSGData[1]): 829 HKLs.append([h,k,l,dH,d,1]) 826 830 return HKLs 827 831
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