Changeset 1637 for trunk/GSASIIpwd.py


Ignore:
Timestamp:
Feb 6, 2015 3:09:50 PM (7 years ago)
Author:
vondreele
Message:

fixes to peak indexing routines; new Inst argument for getHKLpeak messed up indexing routines. Now optional at end of arguments.
some more work on SS constraints.

File:
1 edited

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  • trunk/GSASIIpwd.py

    r1594 r1637  
    796796    return lenR,dRdS
    797797
    798 def getHKLpeak(dmin,Inst,SGData,A):
     798def getHKLpeak(dmin,SGData,A,Inst=None):
    799799    'needs a doc string'
    800800    HKL = G2lat.GenHLaue(dmin,SGData,A)       
     
    803803        ext = G2spc.GenHKLf([h,k,l],SGData)[0]
    804804        if not ext:
    805             HKLs.append([h,k,l,d,G2lat.Dsp2pos(Inst,d),-1])
     805            if Inst == None:
     806                HKLs.append([h,k,l,d,0,-1])
     807            else:
     808                HKLs.append([h,k,l,d,G2lat.Dsp2pos(Inst,d),-1])
    806809    return HKLs
    807810
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