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Fix Failing Joback Method Unit Test #2682
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whoops! looks like we did need to consider the unit tests a bit more ... from reading the code looks like we expect it to be 47.11 but it should be 48.02 (with our new code) I will also double check against JRgui to see what that implementation of the joback parameters returns. |
JRgui agrees that Pc of acetone should be 48.02 bar. We should just amend the unit test comment to be 48.02, i.e.:
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Looks like the transport properties are good to go now, but any idea about the CI failure @JacksonBurns? Looks like there's an issue with the GH actions artifact download, which is odd to me as it wasn't showing up before. |
Ah this is vexing, the CI is trying to download the @jonwzheng I think we just need to bypass merge this PR. Even if it does introduce regression test changes, we know that they are 'correct' - the equation that we fixed was unambiguously wrong. |
Okay sounds good. Pleas remove the dummy commit ("DROPME") and I'll go ahead and approve. |
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Done! Swag removed |
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LGTM (noting that CI fail in this is okay. Unit tests have been fixed.)
#2680 and #2681 both fail this unit test despite not touching the associate code in any way:
...I think because we updated the Joback parameters in RMG-database here: ReactionMechanismGenerator/RMG-database#636
I've added a dummy commit just to trigger the CI and check that this fails again, and then I intend to update the expected values to what we are getting now.
cc @jonwzheng TL;DR: the Joback coefficient changes we made in RMG-database are failing a unit test on RMG-Py, this PR will fix it