# Changeset 2711 for trunk/GSASIIgrid.py

Ignore:
Timestamp:
Feb 17, 2017 9:49:22 AM (5 years ago)
Message:

fix sequential problem with unrefined parms in a block of histograms

File:
1 edited

Unmodified
Removed
• ## trunk/GSASIIgrid.py

 r2707 var = str(pId)+'::A'+str(i) if var in ESDlookup: val = data[name]['newCellDict'][ESDlookup[var]][1] # get refined value A[i] = val # override with updated value try: val = data[name]['newCellDict'][ESDlookup[var]][1] # get refined value A[i] = val # override with updated value except KeyError: A[i] = None # apply symmetry Albls = [pfx+'A'+str(i) for i in range(6)] cellDict = dict(zip(Albls,A)) A,zeros = G2stIO.cellFill(pfx,SGdata[pId],cellDict,zeroDict[pId]) # convert to direct cell & add only unique values to table c = G2lat.A2cell(A) vol = G2lat.calc_V(A) cE = G2stIO.getCellEsd(pfx,SGdata[pId],A,covData) if None in A: c = 6*[None] cE = 6*[None] vol = None else: A,zeros = G2stIO.cellFill(pfx,SGdata[pId],cellDict,zeroDict[pId]) # convert to direct cell & add only unique values to table c = G2lat.A2cell(A) vol = G2lat.calc_V(A) cE = G2stIO.getCellEsd(pfx,SGdata[pId],A,covData) cells += [[c[i] for i in uniqCellIndx[pId]]+[vol]] cellESDs += [[cE[i] for i in uniqCellIndx[pId]]+[cE[-1]]] G2frame.colSigs += [[data[name]['sig'][col] for name in histNames]] else: G2frame.colSigs += [None] # should not happen G2frame.colSigs += [None] # evaluate Pseudovars, their ESDs and add them to grid for expr in data['SeqPseudoVars']:
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