Changeset 960 for trunk/GSASIIIO.py


Ignore:
Timestamp:
Jun 19, 2013 5:51:24 PM (9 years ago)
Author:
toby
Message:

check in CIF dev snapshot

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIIO.py

    r956 r960  
    16081608        for item in consDict:
    16091609            constList += consDict[item]
    1610         constDict,fixedList,ignored = G2stIO.ProcessConstraints(constList)
    16111610        # now process the constraints
    16121611        G2mv.InitVars()
    1613         varyList = covDict.get('varyList',[])
     1612        constDict,fixedList,ignored = G2stIO.ProcessConstraints(constList)
     1613        varyList = covDict.get('varyListStart')
     1614        if varyList is None and len(constDict) == 0:
     1615            # no constraints can use varyList
     1616            varyList = covDict.get('varyList')
     1617        elif varyList is None:
     1618            # old GPX file from before pre-constraint varyList is saved
     1619            print ' *** Old refinement: Please use Calculate/Refine to redo  ***'
     1620            raise Exception(' *** CIF creation aborted ***')
     1621        else:
     1622            varyList = list(varyList)
    16141623        try:
    16151624            groups,parmlist = G2mv.GroupConstraints(constDict)
     
    16261635        # and add their uncertainties into the esd dictionary (sigDict)
    16271636        if covDict.get('covMatrix') is not None:
    1628             self.sigDict.update(G2mv.ComputeDepESD(covDict['covMatrix'],varyList,self.parmDict))
     1637            self.sigDict.update(G2mv.ComputeDepESD(covDict['covMatrix'],covDict['varyList'],self.parmDict))
    16291638
    16301639    def loadTree(self):
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