GreenGroup/RMG-Java — Issue #225: reaction no balanced error for intra_R_Add_endocyclic reactions
Author: ezanoelo
Created: 2011-11-03 20:30:28+00:00
State: open

One of my recent isobutanol jobs terminated with this error:

Created new species: C3HOJ(11865)
Created new forwards Intra_R_Add_Endocyclic reaction: C3HOJ(6782) --> C3HOJ(11865)
ERROR: Reaction is not balanced: SPC(6782)=SPC(11865)
ERROR: Invalid Reaction Structure:SPC(6782)=SPC(11865)
ERROR: jing.rxn.InvalidTemplateReactionException
at jing.rxn.TemplateReaction.makeTemplateReaction(TemplateReaction.java:416)
at jing.rxn.ReactionTemplate.reactOneReactant(ReactionTemplate.java:896)
at jing.rxn.ReactionTemplate.reactOneReactant(ReactionTemplate.java:807)
at jing.rxn.TemplateReactionGenerator.react(TemplateReactionGenerator.java:134)
at jing.rxnSys.RateBasedRME.enlargeReactionModel(RateBasedRME.java:150)
at jing.rxnSys.ReactionModelGenerator.enlargeReactionModel(ReactionModelGenerator.java:3938)
at jing.rxnSys.ReactionModelGenerator.modelGeneration(ReactionModelGenerator.java:1487)
at RMG.main(RMG.java:96)