Changeset 609 for trunk/GSASIIstruct.py


Ignore:
Timestamp:
May 9, 2012 11:15:44 AM (10 years ago)
Author:
vondreele
Message:

adding more tutorials & fix some uncovered bugs

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIstruct.py

    r599 r609  
    32223222    Factor = DisAglCtls['Factors']
    32233223    Radii = dict(zip(DisAglCtls['AtomTypes'],zip(DisAglCtls['BondRadii'],DisAglCtls['AngleRadii'])))
    3224     Units = np.array([                   #is there a nicer way to make this?
    3225         [-1,-1,-1],[-1,-1,0],[-1,-1,1],[-1,0,-1],[-1,0,0],[-1,0,1],[-1,1,-1],[-1,1,0],[-1,1,1],
    3226         [0,-1,-1],[0,-1,0],[0,-1,1],[0,0,-1],[0,0,0],[0,0,1],[0,1,-1],[0,1,0],[0,1,1],
    3227         [1,-1,-1],[1,-1,0],[1,-1,1],[1,0,-1],[1,0,0],[1,0,1],[1,1,-1],[1,1,0],[1,1,1]])
     3224#    Units = np.array([                   #is there a nicer way to make this?
     3225#        [-1,-1,-1],[-1,-1,0],[-1,-1,1],[-1,0,-1],[-1,0,0],[-1,0,1],[-1,1,-1],[-1,1,0],[-1,1,1],
     3226#        [0,-1,-1],[0,-1,0],[0,-1,1],[0,0,-1],[0,0,0],[0,0,1],[0,1,-1],[0,1,0],[0,1,1],
     3227#        [1,-1,-1],[1,-1,0],[1,-1,1],[1,0,-1],[1,0,0],[1,0,1],[1,1,-1],[1,1,0],[1,1,1]])
     3228    indices = (-1,0,1)
     3229    Units = np.array([[h,k,l] for h in indices for k in indices for l in indices])
    32283230    origAtoms = DisAglData['OrigAtoms']
    32293231    targAtoms = DisAglData['TargAtoms']
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