Ignore:
Timestamp:
Jun 24, 2021 4:32:34 PM (4 months ago)
Author:
vondreele
Message:

fix single crystal merge routines (missing Instrument Parameters)
add rhombohedral cases to merge(R 3, R-3, R 3 & R -3 m)
fix an unknown G2frame.PatternId? bug

File:
1 edited

Legend:

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Added
Removed
  • trunk/GSASIIlattice.py

    r4885 r4974  
    14971497      centrosymmetric Laue groups::
    14981498       
    1499             ['-1','2/m','112/m','2/m11','mmm','-42m','-4m2','4/mmm','-3',
     1499            ['-1','2/m','112/m','2/m11','mmm','-42m','-4m2','4/mmm','-3','-3m',
    15001500            '-31m','-3m1','6/m','6/mmm','m3','m3m']
    15011501     
     
    15031503     
    15041504           ['1','2','211','112','m','m11','11m','222','mm2','m2m','2mm',
    1505            '4','-4','422','4mm','3','312','321','31m','3m1','6','-6',
     1505           '4','-4','422','4mm','3','312','321','3m','31m','3m1','6','-6',
    15061506           '622','6mm','-62m','-6m2','23','432','-43m']
    15071507     
     
    16611661        HKLFT[:3] = np.where(HKLFT[1]>-2*HKLFT[0],np.squeeze(np.inner(HKLF[:,:3],matdmp[nxs,:,:])).T,HKLFT[:3])
    16621662        HKLFT[:3] = np.squeeze(np.inner(HKLF[:,:3],mat32[nxs,:,:])).T
    1663     elif Laue == '3 m 1':
     1663    elif (Laue == '3 m 1' or Laue == '3 m'):
    16641664        HKLFT[:3] = np.where(HKLFT[1]<0,np.squeeze(np.inner(HKLF[:,:3],mat32[nxs,:,:])).T,HKLFT[:3])
    16651665        HKLFT[:3] = np.where((HKLFT[1]+HKLFT[0])<0,np.squeeze(np.inner(HKLF[:,:3],mat32[nxs,:,:])).T,HKLFT[:3])
     
    16731673        HKLFT[:3] = np.where((HKLFT[2]==0)&(HKLFT[0]<0),-np.squeeze(np.inner(HKLF[:,:3],mat31[nxs,:,:])).T,HKLFT[:3])
    16741674        HKLFT[:3] = np.where(HKLFT[0]<0,np.squeeze(np.inner(HKLF[:,:3],-mat31[nxs,:,:])).T,HKLFT[:3])   
    1675     elif Laue == '-3 m 1':  #ok
     1675    elif (Laue == '-3 m 1' or Laue == '-3 m'):  #ok
    16761676        HKLFT[:3] = np.where(HKLFT[1]<0,np.squeeze(np.inner(HKLF[:,:3],mat32[nxs,:,:])).T,HKLFT[:3])
    16771677        HKLFT[:3] = np.where((HKLFT[1]+HKLFT[0])<0,np.squeeze(np.inner(HKLF[:,:3],mat32[nxs,:,:])).T,HKLFT[:3])
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