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Rebase database test #196

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merged 7 commits into from
Mar 31, 2014

Commits on Mar 17, 2014

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Commits on Mar 31, 2014

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  2. Add function LogicOr.matchToLogicOr

    This function gives the boolean of whether two LogicOr objects are
    equivilant or not. I needed this for database checking
    nyee committed Mar 31, 2014
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  3. Add new atom attributes to comparisons

    The function equivilant and isSpecificCaseOf for GroupAtom now checks the
    list of charges and atom label
    nyee committed Mar 31, 2014
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  4. Added function isIdentical to groups.py

    The function isIsomorphic was meant to compare molecules to groups,
    therefore it respects wildcards (seeing as a molecule will never have an
    atom named Cs or Ct). However, this makes the function isIsomorphic not
    useful when tryint to compare two groups.
    
    I've created a new function isIdentical which will not respect wildcards
    and can tell if two groups are the same.
    nyee committed Mar 31, 2014
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  5. Add function checkWellFormed to family.py

    This function is used to check for malformed kinetic families. I have also
    removed the function isWellFormed from base.py because it is deprecated by
    this new function (and also didn't work due to the many changes we've been
    making).
    
    The new function checks for:
    -rule labels that have group names which do not exist in groups.py
    -rule adjLists that do not match with the corresponding adj list in
    groups.py
    -Each group must exist in the tree
    -Each group adjList must actually be a more specific case of it's parent's adjList
    nyee committed Mar 31, 2014
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  6. Add check if groups are unique in the database

    Coded another check in checkWellFormed to see if each node is unique inside
    of a family.
    nyee committed Mar 31, 2014
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