Because of the confusing issue of overlapping children, it looks like we have never written many checks about sibling nodes. In groups.py (and possibly other trees in thermo and kinetics) we have some nodes in the following pattern:
L1. Grandparent
L2. Parent
L2. Child
In the above case, the node child is completely inaccessible, because a molecule will always match parent first. It should probably be written as:
L1. Grandparent
L2. Parent
L3. Child
I think it should be simple to write a script to correct this. I'll just load in the database, search for cases like above, then change the attributes node.children and node.parents appropriately, and finally re-save the database. Please let me know if you think there will be any other complications.
Because of the confusing issue of overlapping children, it looks like we have never written many checks about sibling nodes. In groups.py (and possibly other trees in thermo and kinetics) we have some nodes in the following pattern:
L1. Grandparent
L2. Parent
L2. Child
In the above case, the node child is completely inaccessible, because a molecule will always match parent first. It should probably be written as:
L1. Grandparent
L2. Parent
L3. Child
I think it should be simple to write a script to correct this. I'll just load in the database, search for cases like above, then change the attributes node.children and node.parents appropriately, and finally re-save the database. Please let me know if you think there will be any other complications.