GreenGroup/RMG-Java — Issue #239: NullPointerException apparently due to null reverseReaction
Author: gmagoon
Created: 2011-12-19 17:13:32+00:00
State: open

I received the following at job failure:

Reacting BENZYL(71) with the core: 2+2_cycloaddition_CCO
Reacting BENZYL(71) with the core: Four_Ring_Cleavage_CCO
Reacting BENZYL(71) with the core: Diels_alder_addition
Reacting BENZYL(71) with the core: Retro_Diels_Alder_Addition
Reacting BENZYL(71) with the core: intra_H_migration
Created new reverse intra_H_migration reaction: BENZYL(71) --> KislovT3(164)
ERROR: java.lang.NullPointerException
at jing.rxn.ReactionTemplate.calculateForwardRateConstant(ReactionTemplate.java:1097)
at jing.rxn.TemplateReaction.generateReverseForBackwardReaction(TemplateReaction.java:330)
at jing.rxn.TemplateReaction.makeTemplateReaction(TemplateReaction.java:391)
at jing.rxn.ReactionTemplate.reactOneReactant(ReactionTemplate.java:896)
at jing.rxn.ReactionTemplate.reactOneReactant(ReactionTemplate.java:800)
at jing.rxn.TemplateReactionGenerator.react(TemplateReactionGenerator.java:134)
at jing.rxnSys.RateBasedPDepRME.addSpeciesToCore(RateBasedPDepRME.java:316)
at jing.rxnSys.RateBasedPDepRME.enlargeReactionModel(RateBasedPDepRME.java:236)
at jing.rxnSys.ReactionModelGenerator.enlargeReactionModel(ReactionModelGenerator.java:3917)
at jing.rxnSys.ReactionModelGenerator.modelGeneration(ReactionModelGenerator.java:1487)
at RMG.main(RMG.java:96)

RMG execution terminated at 2011-12-18 20:32:07