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@nyee nyee commented Mar 31, 2014

Includes the new checks I've been making to make sure the database is well formed.

nyee added 7 commits March 17, 2014 14:00
This function gives the boolean of whether two LogicOr objects are
equivilant or not. I needed this for database checking
The function equivilant and isSpecificCaseOf for GroupAtom now checks the
list of charges and atom label
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.
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
Coded another check in checkWellFormed to see if each node is unique inside
of a family.
connie added a commit that referenced this pull request Mar 31, 2014
@connie connie merged commit 57fdfaa into ReactionMechanismGenerator:master Mar 31, 2014
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I think this should have been other.charge. Fixing now.
(update: I now think the line below should have been other.charge 😊)

@nyee nyee deleted the rebaseDatabaseTest branch April 9, 2014 05:47
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3 participants