Hi, I know very little about the reaction code in the cdk, but I've made some small changes to the ReactionBalancer class you posted:
http://gist.github.com/466912 which also now needs this class: http://gist.github.com/466913 to replace the old cdk.math.PermutationGenerator class (there is an AtomContainerPermutor class, but that isn't suitable for permuting a Double[]). Now, it might be that the functionality of the ReactionBalancer has been moved, but this should work ... although I only know that it compiles, not that it works :) gilleain On Wed, Jul 7, 2010 at 3:24 PM, wateriestfire <[email protected]> wrote: > > Here is the original source code for ReactionBalancer.java, it is > incompatible with the newest version of the CDK, I don't know if it helps, I > have tried converting it myself to work with the newest versions, but I > haven't been able to get it right. > > Thanks again! > http://old.nabble.com/file/p29096830/ReactionBalancer.java > ReactionBalancer.java > > > wateriestfire wrote: >> >> ReactionBalancer used to be a class in the CDK, and what it did was check >> to see if a reaction could be balanced, It was then removed... Now I have >> a list of reactions, and while I am parsing them, I need to know if they >> can be balanced, or to actually balance them would be nice too. >> >> Is there a class in the CDK that can do this? >> >> Thanks, >> >> >> > > -- > View this message in context: > http://old.nabble.com/Balancing-Chemical-Reactions--tp29095305p29096830.html > Sent from the cdk-user mailing list archive at Nabble.com. > > > ------------------------------------------------------------------------------ > This SF.net email is sponsored by Sprint > What will you do first with EVO, the first 4G phone? > Visit sprint.com/first -- http://p.sf.net/sfu/sprint-com-first > _______________________________________________ > Cdk-user mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/cdk-user > ------------------------------------------------------------------------------ This SF.net email is sponsored by Sprint What will you do first with EVO, the first 4G phone? Visit sprint.com/first -- http://p.sf.net/sfu/sprint-com-first _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
