Changeset 3859
- Timestamp:
- Mar 22, 2019 5:54:18 PM (4 years ago)
- Location:
- trunk
- Files:
-
- 2 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASIIdataGUI.py
r3855 r3859 7091 7091 A = RecpCellTerms[pId][:] # make copy of starting A values 7092 7092 # update with refined values 7093 for i in range(6):7093 for i,j in enumerate(('D11','D22','D33','D12','D13','D23')): 7094 7094 var = str(pId)+'::A'+str(i) 7095 Dvar = str(pId)+':'+str(hId)+':'+j 7096 # apply Dij value if non-zero 7097 if Dvar in data[name]['parmDict']: 7098 parmDict = data[name]['parmDict'] 7099 if parmDict[Dvar] != 0.0: 7100 A[i] += parmDict[Dvar] 7101 # override with fit result if is Dij varied 7095 7102 if var in cellAlist: 7096 7103 try: … … 7282 7289 name = histNames[0] 7283 7290 7284 #****************************************************************************** 7285 # create a set of values for example evaluation of pseudovars and 7286 # this does not work for refinements that have differing numbers of variables. 7291 # remove selected items from table 7287 7292 saveColLabels = colLabels[:] 7288 7293 if G2frame.SeqTblHideList is None: #set default hides … … 7290 7295 G2frame.SeqTblHideList += [item for item in saveColLabels if 'dA' in item] 7291 7296 G2frame.SeqTblHideList += [item for item in saveColLabels if ':*:D' in item] 7297 #****************************************************************************** 7298 # create a set of values for example evaluation of pseudovars and 7299 # this does not work for refinements that have differing numbers of variables. 7292 7300 VarDict = {} 7293 7301 for i,var in enumerate(colLabels): -
trunk/GSASIIstrMath.py
r3853 r3859 2321 2321 2322 2322 def GetNewCellParms(parmDict,varyList): 2323 'Needs a doc string' 2323 '''Compute unit cell tensor terms from varied Aij and Dij values. 2324 Terms are included in the dict only if Aij or Dij is varied. 2325 ''' 2324 2326 newCellDict = {} 2325 2327 Anames = ['A'+str(i) for i in range(6)]
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