GreenGroup/RMG-Java — Issue #235: InvalidConnectivityException
Author: rajeshdparmar
Created: 2011-12-09 06:33:20+00:00
State: open

File location

rajesh@pharos:~/Rajesh/New_jobs_after_Dec-01-2011/MultiT_Prun_15000_multiple_concentration_single_pressure_conversion-Rerun$

Error Message:

Created new forwards R_Addition_MultipleBond reaction: CH2CO(7) + C6H4OJJ(1045370) --> C8H6O2JJ(1082092)
Warning: Transport group not found: 7
Warning: Transport group not found: 7
Created new species: C8H6O2JJ(1082093)
Created new forwards R_Addition_MultipleBond reaction: CH2CO(7) + C6H4OJJ(1045370) --> C8H6O2JJ(1082093)
ERROR: jing.chemUtil.InvalidConnectivityException
at jing.chemUtil.Node.generateFgElement(Node.java:755)
at jing.chemUtil.Node.updateFgElement(Node.java:1430)
at jing.chem.ChemGraph.determineAromaticityAndWriteBBonds(ChemGraph.java:211)
at jing.chem.ChemGraph.(ChemGraph.java:142)
at jing.chem.ChemGraph.make(ChemGraph.java:2426)
at jing.chem.Species.doDelocalization(Species.java:284)
at jing.chem.Species.generateResonanceIsomersFromRadicalCenter(Species.java:577)
at jing.chem.Species.generateResonanceIsomers(Species.java:385)
at jing.chem.Species.(Species.java:112)
at jing.chem.Species.make(Species.java:874)
at jing.rxn.ReactionTemplate.reactTwoReactants(ReactionTemplate.java:1187)
at jing.rxn.TemplateReactionGenerator.react(TemplateReactionGenerator.java:206)
at jing.rxnSys.RateBasedRME.enlargeReactionModel(RateBasedRME.java:164)
at jing.rxnSys.ReactionModelGenerator.enlargeReactionModel(ReactionModelGenerator.java:3938)
at jing.rxnSys.ReactionModelGenerator.modelGeneration(ReactionModelGenerator.java:1487)
at RMG.main(RMG.java:96)