Changeset 1674


Ignore:
Timestamp:
Feb 27, 2015 11:28:13 AM (7 years ago)
Author:
vondreele
Message:

bad response for extended structures & assemble molecule - now fixed

Location:
trunk
Files:
2 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIImath.py

    r1673 r1674  
    289289        IndB = set(list(IndB)+list(getNeighbors(newAtoms[-1],radius)))
    290290        if len(IndB) > nAtom:
    291             print 'Assemble molecule cannot be used on extended structures'
    292             return atomData
     291            return 'Assemble molecule cannot be used on extended structures'
    293292    for atom in atomData:
    294293        if atom != None:
  • trunk/GSASIIphsGUI.py

    r1669 r1674  
    18161816            generalData['DisAglCtls'] = DisAglCtls
    18171817            atomData = copy.deepcopy(data['Atoms'])
    1818             data['Atoms'] = G2mth.FindMolecule(indx[0],generalData,atomData)
     1818            result = G2mth.FindMolecule(indx[0],generalData,atomData)
     1819            if 'str' in str(type(result)):
     1820                G2frame.ErrorDialog('Assemble molecule',result)
     1821            else:   
     1822                data['Atoms'] = result
    18191823            OnReloadDrawAtoms(event)           
    18201824            FillAtomsGrid(Atoms)
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