Changeset 424


Ignore:
Timestamp:
Nov 18, 2011 2:31:18 PM (10 years ago)
Author:
vondreele
Message:

remove 'Back'ground from consideration for constraints
add a bit more for cell parms in seq refinements

Location:
trunk
Files:
2 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIgrid.py

    r423 r424  
    870870    histList = []
    871871    for item in histDict:
    872         if item.split(':')[2] not in ['Omega','Type','Chi','Phi','Azimuth','Gonio. radius','Lam1','Lam2']:
     872        if item.split(':')[2] not in ['Omega','Type','Chi','Phi','Azimuth','Gonio. radius','Lam1','Lam2','Back']:
    873873            histList.append(item)
    874874    histList.sort()
  • trunk/GSASIIstruct.py

    r423 r424  
    17231723    newCellDict = {}
    17241724    Ddict = dict(zip(['D11','D22','D33','D12','D13','D23'],['A'+str(i) for i in range(6)]))
     1725    Adict = dict(zip(['A'+str(i) for i in range(6)],['D11','D22','D33','D12','D13','D23']))
    17251726    for item in varyList:
    17261727        keys = item.split(':')
     
    17281729            key = keys[0]+':'+keys[1]+':'+Ddict[keys[2]]
    17291730            newCellDict[key] = parmDict[key]+parmDict[item]
     1731        elif keys[2] in Adict:
     1732            newCellDict[key] = parmDict[item]
    17301733           
    17311734   
     
    17391742            varyList - list of variables
    17401743        returns:
    1741             newAtomDict - dictionary of new atomic coordinate names & values;
     1744            newAtomDict - dictitemionary of new atomic coordinate names & values;
    17421745                key is parameter shift name
    17431746    '''
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