Ignore:
Timestamp:
Apr 2, 2015 10:56:59 AM (7 years ago)
Author:
vondreele
Message:

provide sig,gam & FWHM in export of PWDR reflection set as csv & txt files
add penalty fxn stuff for sph. harm. preferred orientation correction
allow editing of ODF coeff.
fix reading of fcf files

File:
1 edited

Legend:

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  • trunk/GSASIIlattice.py

    r1766 r1773  
    862862                            HKL.append([h,k,l,1/math.sqrt(rdsq)])
    863863    return sortHKLd(HKL,True,True)
     864   
     865def GenPfHKLs(nMax,SGData,A):   
     866    """Generate the unique pole figure reflections for a lattice and Bravais type.
     867    Min d-spacing=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 d-spacings
     881    N = min(nMax,len(HKL))
     882    return ['%d %d %d'%(h[0],h[1],h[2]) for h in HKL[:N]]       
     883       
    864884
    865885def GenSSHLaue(dmin,SGData,SSGData,Vec,maxH,A):
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