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hello

sorry to say I seem to have managed to balls up a project again:

'project invalid, please quit, fix and re-start:
ccp.MolSystem.Residue.checkValid:constraint
linking_and_descriptor_must_be_consistant_with_Atoms_ and_LinkEnds violated:'


and the (impressively long) traceback is below. Any suggestions welcome.

thanks,

simon


last xml element read:
</_StorageUnit>


parser state was:
checking  object validity

ERROR loading xml ccp.MolSystem ccp/MolSystem.xml
Error dereferencing link to Atom. key was:
['MS2', 'A', 1, 'C']
Error dereferencing atoms for object ccp.Nmr.AtomSet with (partial) key :
[3538]

last xml element read:
</_StorageUnit>


parser state was:
setting links and multiattributes

ERROR loading xml ccp.Nmr ccp/Nmr.xml
Traceback (most recent call last):
  File "/home/simon/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/AnalysisGui.py",
line 210, in ?
    main(filename, max_size, glDirect)
  File "/home/simon/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/AnalysisGui.py",
line 104, in main
    top.initProject(project)
  File
"/home/simon/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/AnalysisPopup.py", line
911, in initProject
    Analysis.initProject(self, project)
  File "/home/simon/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/Analysis.py",
line 202, in initProject
    self.initResonances()
  File "/home/simon/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/Analysis.py",
line 1028, in initResonances
    resonances = self.project.resonances
  File "/home/simon/ccpnmr/ccpnmr1.0/python/memops/api/Implementation.py",
line 17467, in getResonances
    otherStorage.load()
  File "/home/simon/ccpnmr/ccpnmr1.0/python/memops/api/Implementation.py",
line 8904, in load
    ioModule.load(stream, self.project)
  File "/home/simon/ccpnmr/ccpnmr1.0/python/ccp/xml/Nmr.py", line 113, in load
    return GeneralXmlIO.load(stream, mapping, parentObject)
  File "/home/simon/ccpnmr/ccpnmr1.0/python/memops/format/xml/XmlIO.py",
line 370, in load
    result = doLoad(stream, mapping, headObject)
  File "/home/simon/ccpnmr/ccpnmr1.0/python/memops/format/xml/XmlIO.py",
line 532, in doLoad
    loadDelayedData(objectDict, delayedLoadData)
  File "/home/simon/ccpnmr/ccpnmr1.0/python/memops/format/xml/XmlIO.py",
line 991, in loadDelayedData
    val = getByKey(clazz,fullKey)
  File
"/home/simon/ccpnmr/ccpnmr1.0/python/memops/general/Implementation.py", line
289, in getByKey
    value = current.__dict__[downlinks[ii]] or getattr(current,downlinks[ii])
  File "/home/simon/ccpnmr/ccpnmr1.0/python/memops/api/Implementation.py",
line 14736, in getMolSystems
    otherStorage.load()
  File "/home/simon/ccpnmr/ccpnmr1.0/python/memops/api/Implementation.py",
line 8904, in load
    ioModule.load(stream, self.project)
  File "/home/simon/ccpnmr/ccpnmr1.0/python/ccp/xml/MolSystem.py", line 101,
in load
    return GeneralXmlIO.load(stream, mapping, parentObject)
  File "/home/simon/ccpnmr/ccpnmr1.0/python/memops/format/xml/XmlIO.py",
line 374, in load
    result = doLoad(stream, mapping, headObject)
  File "/home/simon/ccpnmr/ccpnmr1.0/python/memops/format/xml/XmlIO.py",
line 567, in doLoad
    headObject.checkAllValid(checkPackage=packageName)
  File "/home/simon/ccpnmr/ccpnmr1.0/python/memops/api/Implementation.py",
line 25158, in checkAllValid
    value.checkAllValid(complete)
  File "/home/simon/ccpnmr/ccpnmr1.0/python/ccp/api/MolSystem.py", line
10939, in checkAllValid
    value.checkAllValid(complete)
  File "/home/simon/ccpnmr/ccpnmr1.0/python/ccp/api/MolSystem.py", line
4949, in checkAllValid
    value.checkAllValid(complete)
  File "/home/simon/ccpnmr/ccpnmr1.0/python/ccp/api/MolSystem.py", line
17077, in checkAllValid
    self.checkValid(complete)
  File "/home/simon/ccpnmr/ccpnmr1.0/python/ccp/api/MolSystem.py", line
16516, in checkValid
    raise ApiError("%s.checkValid:" % self.qualifiedName +
memops.general.Implementation.ApiError:
ccp.MolSystem.Residue.checkValid:constraint
linking_and_descriptor_must_be_consistent_with_Atoms_and_LinkEnds violated:
>>>