Changeset 2136 for trunk/exports


Ignore:
Timestamp:
Jan 26, 2016 1:16:37 PM (6 years ago)
Author:
vondreele
Message:

fix indexing problem in 32 bit versions - Skip in ProgressDialog? doesn't work
skip user excluded reflections in HKLF exporters
modify MergeDialog? & more work on LaueUnique?
add 'O' option to 3DHKLF plots to center on origin

Location:
trunk/exports
Files:
2 edited

Legend:

Unmodified
Added
Removed
  • trunk/exports/G2export_CIF.py

    r2109 r2136  
    12081208            refcount = len(histblk['Data']['RefList'])
    12091209            for ref in histblk['Data']['RefList']:
    1210                 if ref[3] < 0:      #skip user rejected reflections (mul < 0)
     1210                if ref[3] <= 0:      #skip user rejected reflections (mul <= 0)
    12111211                    continue
    12121212                s = "  "
  • trunk/exports/G2export_examples.py

    r2132 r2136  
    248248class ExportSingleText(G2IO.ExportBaseclass):
    249249    '''Used to create a text file with single crystal reflection data
     250    skips user rejected & space group extinct reflections
    250251
    251252    :param wx.Frame G2frame: reference to main GSAS-II frame
     
    278279        fmt = "{:>10s} {:8.3f} {:12.2f} {:12.4f} {:12.2f} {:7.2f} {:6.0f}"
    279280        self.Write(80*'=')
    280         self.Write(hfmt.format("h,k,l","d-space","F_obs","sig(Fobs)","F_calc","phase","mult"))
     281        self.Write(hfmt.format("h,k,l","d-space","F_obs","sig(Fobs)","F_calc","phase","twin"))
    281282        self.Write(80*'=')
    282283        for (
    283             h,k,l,mult,dsp,Fobs,sigFobs,Fcalc,FobsT,FcalcT,phase,Icorr
     284            h,k,l,twin,dsp,Fobs,sigFobs,Fcalc,FobsT,FcalcT,phase,Icorr
    284285            ) in histblk['Data']['RefList']:
    285             self.Write(fmt.format(hklfmt.format(h,k,l),dsp,Fobs,sigFobs,Fcalc,phase,mult))
     286            if twin > 0:
     287                self.Write(fmt.format(hklfmt.format(h,k,l),dsp,Fobs,sigFobs,Fcalc,phase,twin))
    286288        self.CloseFile()
    287289        print(str(hist)+' written to file '+str(self.fullpath))                       
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