Changeset 4089


Ignore:
Timestamp:
Aug 12, 2019 12:54:02 PM (2 years ago)
Author:
vondreele
Message:

implement an "absent" list for image calibrants - especially Silicon SRM640

Location:
trunk
Files:
3 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIimage.py

    r4056 r4089  
    586586        G2fil.G2Print('Warning: %s not in local copy of image calibrants file'%data['calibrant'])
    587587        return []
    588     Bravais,SGs,Cells = calFile.Calibrants[data['calibrant']][:3]
     588    calibrant = calFile.Calibrants[data['calibrant']]
     589    Bravais,SGs,Cells = calibrant[:3]
    589590    HKL = []
    590591    for bravais,sg,cell in zip(Bravais,SGs,Cells):
     
    597598            hkl = G2lat.GenHBravais(dmin,bravais,A)
    598599            HKL += list(hkl)
     600    if len(calibrant) > 4:
     601        absent = calibrant[5]
     602    else:
     603        absent = ()
    599604    HKL = G2lat.sortHKLd(HKL,True,False)
    600605    varyList = [item for item in data['varyList'] if data['varyList'][item]]
     
    609614        tam = ma.mask_or(tam,MakeFrameMask(data,frame))
    610615    for iH,H in enumerate(HKL):
     616        if iH in absent:
     617            continue
    611618        if debug:   print (H)
    612619        dsp = H[3]
     
    709716    dmin = data['calibdmin']
    710717#generate reflection set
    711     Bravais,SGs,Cells = calFile.Calibrants[data['calibrant']][:3]
     718    calibrant = calFile.Calibrants[data['calibrant']]
     719    Bravais,SGs,Cells = calibrant[:3]
    712720    HKL = []
    713721    for bravais,sg,cell in zip(Bravais,SGs,Cells):
  • trunk/GSASIIplot.py

    r4084 r4089  
    828828        else:
    829829            # should not happen!
    830             if GSASIIpath.GetConfigValue('debug'): GSASIIpath.IPyBreak()
    831         self.parent.toolbar.push_current()
     830            if GSASIIpath.GetConfigValue('debug'):
     831                GSASIIpath.IPyBreak()
     832        self.parent.toolbar.push_current()      #NB: self.parent.toolbar = self
    832833        ax.axis((xmin,xmax,ymin,ymax))
    833834        #print xmin,xmax,ymin,ymax
  • trunk/ImageCalibrants.py

    r3136 r4089  
    88Each entry in ``ImageCalibrants`` consists of::
    99
    10   'key':([Bravais num,],[space group,],[(a,b,c,alpha,beta,gamma),],no. lines skipped,(dmin,pixLimit,cutOff))
     10  'key':([Bravais num,],[space group,],[(a,b,c,alpha,beta,gamma),],no. lines skipped,(dmin,pixLimit,cutOff),(absent list))
    1111  (The space group may be an empty string)
     12  the absent list is optional; it gives indices of lines that have no intensity despite being allowed - see the Si example below;
     13  counting begins at zero
    1214
    1315as an example::
     
    2527
    2628  Calibrants={
    27     'LaB6 skip 2 lines':([2,],['',],[(4.1569162,4.1569162,4.1569162,90,90,90),],2,(1.0,10,10)),
     29    'LaB6 skip 2 lines':([2,],['',],[(4.1569162,4.1569162,4.1569162,90,90,90),],2,(1.0,10,10),()),
    2830  }
    2931
     
    5456'LaB6  SRM660a skip 1':([2,],[''],[(4.1569162,4.1569162,4.1569162,90,90,90),],1,(1.0,10,10.)),
    5557'LaB6  SRM660': ([2,],[''],[(4.15695,4.15695,4.15695,90,90,90),],0,(1.0,10,10.)),
    56 'Si    SRM640c':([0,],['F d 3 m'],[(5.4311946,5.4311946,5.4311946,90,90,90),],0,(1.,10,10.)),
     58'Si    SRM640c':([0,],['F d 3 m'],[(5.4311946,5.4311946,5.4311946,90,90,90),],0,(1.,10,10.),(3,10,13,20,23,26,33,35,40,43)),
    5759'CeO2  SRM674b':([0,],[''],[(5.411651,5.411651,5.411651,90,90,90),],0,(1.0,2,1.)),
    5860'Al2O3 SRM676a':([3,],['R -3 c'],[(4.759091,4.759091,12.991779,90,90,120),],0,(1.0,5,5.)),
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