Changeset 3247 for trunk/GSASIIspc.py


Ignore:
Timestamp:
Jan 29, 2018 9:34:15 AM (4 years ago)
Author:
vondreele
Message:

implement pick of protein validation bar - new view point on structure plot an N atom for selected residue
fix of non-gray modulated magnetic structures

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIspc.py

    r3245 r3247  
    14501450    SSGData = {'SSpGrp':SGData['SpGrp']+SSymbol,'modQ':modQ,'modSymb':modsym,'SSGKl':SSGKl}
    14511451    SSCen = np.zeros((len(SGData['SGCen']),4))
    1452 #    if SGData['SGFixed']:
    1453 #        for icen,cen in enumerate(SGData['SGCen']):
    1454 #            SSCen[icen] = cen
    1455 #    else:
    1456     if True:
    1457         for icen,cen in enumerate(SGData['SGCen']):
    1458             SSCen[icen,0:3] = cen
    1459         SSCen[0] = np.zeros(4)
     1452    for icen,cen in enumerate(SGData['SGCen']):
     1453        SSCen[icen,0:3] = cen
     1454    SSCen[0] = np.zeros(4)
    14601455    SSGData['SSGCen'] = SSCen
    14611456    SSGData['SSGOps'] = []
     
    14631458        T = np.zeros(4)
    14641459        ssop = np.zeros((4,4))
    1465 #        if SGData['SGFixed']:
    1466 #            ssop = op[0]
    1467 #            T = op[1]
    1468 #        else:
    1469         if True:
    1470             ssop[:3,:3] = op[0]
    1471             T[:3] = op[1]
     1460        ssop[:3,:3] = op[0]
     1461        T[:3] = op[1]
    14721462        SSGData['SSGOps'].append([ssop,T])
    14731463    E,Result = genSSGOps()
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