Reactor output differs from the Example Test results

User 81a38f9467

16-11-2012 18:37:45

I am using Reactor 5.11.1.  I am getting inconsistent results between the Reactor output and the results of the Example Testing within Reactor.


I created a simple reaction (attached) and included several example, including on example that should not product a product.  When I run these examples through Reactor I get the expected output for the expected output for the reactants that meet the reaction definition and no product for the example that doesn't meet the definition.  This is all OK.


However, when I test the Examples in Reactor, I get a different result --- the Test output produced a product from a reactant that should not react.


Here are my concerns:  [1] The Test output is not consistent with the Reactor output.    [2] I think the Test output is wrong for this reaction.  [3] A related issue is that when this same reaction is executed through a KNIME node, the results are the same as the Test output (i.e. not consistent with the Reactor output). 


 

ChemAxon e08c317633

19-11-2012 15:17:50

We can reproduce the error in Reactor application. The test reports error only if there was a switch to the "Properties" tab before switching to "Test" tab. We will fix it.

ChemAxon e08c317633

21-11-2013 07:56:48

This bug was fixed in JChem 5.12.