Changeset 879 for trunk/GSASII.py


Ignore:
Timestamp:
Apr 2, 2013 1:08:48 PM (9 years ago)
Author:
vondreele
Message:

complete rb input to refinement

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASII.py

    r878 r879  
    12811281            sub = self.PatternTree.AppendItem(parent=self.root,text='Rigid bodies')
    12821282            self.PatternTree.SetItemPyData(sub,{'Vector':{'AtInfo':{}},
    1283                 'Residue':{'AtInfo':{}},'Z-matrix':{'AtInfo':{}}})
     1283                'Residue':{'AtInfo':{}},'RBIds':{'Vector':[],'Residue':[]}})
    12841284               
    12851285    class CopyDialog(wx.Dialog):
     
    21642164        parmDict = {}
    21652165        Histograms,Phases = self.GetUsedHistogramsAndPhasesfromTree()
    2166         Natoms,atomIndx,phaseVary,phaseDict,pawleyLookup,FFtable,BLtable = G2str.GetPhaseData(Phases,RestraintDict=None,Print=False)       
     2166        rigidbodyDict = self.PatternTree.GetItemPyData(   
     2167            G2gd.GetPatternTreeItemId(self,self.root,'Rigid bodies'))
     2168        rbVary,rbDict,rbIds = G2str.GetRigidBodyModels(rigidbodyDict,Print=False)
     2169        Natoms,atomIndx,phaseVary,phaseDict,pawleyLookup,FFtable,BLtable = G2str.GetPhaseData(Phases,RestraintDict=None,rbIds=rbIds,Print=False)       
    21672170        hapVary,hapDict,controlDict = G2str.GetHistogramPhaseData(Phases,Histograms,Print=False)
    21682171        histVary,histDict,controlDict = G2str.GetHistogramData(Histograms,Print=False)
    2169         varyList = phaseVary+hapVary+histVary
     2172        varyList = rbVary+phaseVary+hapVary+histVary
     2173        parmDict.update(rbDict)
    21702174        parmDict.update(phaseDict)
    21712175        parmDict.update(hapDict)
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