Ignore:
Timestamp:
May 7, 2014 2:38:30 PM (8 years ago)
Author:
toby
Message:

Redo pseudovar computation to handle constraint-generated vars

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIstrMain.py

    r1299 r1335  
    293293            groups,parmlist = G2mv.GroupConstraints(constrDict)
    294294            G2mv.GenerateConstraints(groups,parmlist,varyList,constrDict,fixedList,parmDict,SeqHist=ihst)
     295            constraintInfo = (groups,parmlist,constrDict,fixedList,ihst)
    295296        except:
    296297            print ' *** ERROR - your constraints are internally inconsistent ***'
     
    366367        newCellDict = copy.deepcopy(G2stMth.GetNewCellParms(parmDict,varyList))
    367368        newAtomDict = copy.deepcopy(G2stMth.ApplyXYZshifts(parmDict,varyList))
    368         covData = {'variables':result[0],'varyList':varyList,'sig':sig,'Rvals':Rvals,
    369                    'varyListStart':varyListStart,
    370                    'covMatrix':covMatrix,'title':histogram,'newAtomDict':newAtomDict,
    371                    'newCellDict':newCellDict,'depParmDict':depParmDict}
     369        histRefData = {
     370            'variables':result[0],'varyList':varyList,'sig':sig,'Rvals':Rvals,
     371            'varyListStart':varyListStart,
     372            'covMatrix':covMatrix,'title':histogram,'newAtomDict':newAtomDict,
     373            'newCellDict':newCellDict,'depParmDict':depParmDict,
     374            'constraintInfo':constraintInfo,
     375            'parmDict':parmDict}
     376        SeqResult[histogram] = histRefData
    372377        G2stMth.ApplyRBModels(parmDict,Phases,rigidbodyDict,True)
    373378#        G2stIO.SetRigidBodyModels(parmDict,sigDict,rigidbodyDict,printFile)
    374379        G2stIO.SetHistogramPhaseData(parmDict,sigDict,Phases,Histo,ifPrint,printFile)
    375380        G2stIO.SetHistogramData(parmDict,sigDict,Histo,ifPrint,printFile)
    376         SeqResult[histogram] = covData
    377         G2stIO.SetUsedHistogramsAndPhases(GPXfile,Histo,Phases,rigidbodyDict,covData,makeBack)
     381        G2stIO.SetUsedHistogramsAndPhases(GPXfile,Histo,Phases,rigidbodyDict,histRefData,makeBack)
    378382        makeBack = False
    379383        NewparmDict = {}
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