[Cdk-devel] Extension of IReactionSet

[Miguel R. C. <m....@la...>]

Hi all,


I am interested to make more precise when we define a set of reactions.
At the moment CDK only has IReactionSet object which is a only a list of
reaction without correlation between them.

My idea could be that we extends IReactionSet to other reactionSet types
according to CML convenium, e.g:
- IReactionScheme (to handle a sheme of reactions)
- IReactionStep (to handle a chain of reactions)

With this extension could be possible to ask: give me the product and
reactant of P2. Give the product in level 3!!

P1 -> P2
P2 -> P3



some suggestions!,

 Miquel