Visualisation and Merge fails in Mechanism with no High Temperature Thermo Data

[DetlevCM]

I have a mechanism with modified thermodynamic data.
When I try to merge the mechanism on the RMG website, this fails with an error.
The same is true for the mechanism visualisation.
The same mechanism is a valid chemkin file when tested in the chemkin interpreter.

The only error cause I can imagine are the empty high temperature coefficients.
Coefficients 2 to 5 are all 0.

Edit:
Oh, and the error message is also not helpful (in the spirit of issue 141). It just says "ups we made a mistake"...

[mliu49]

Looking at the error logs for the website, it seems that the error is in fact caused by the lack of high temperature coefficients. Both the visualization and merge tools try to calculate the heat capacity at various temperatures from 300-1500 K. If you're not interested in high temperature data, then it should be sufficient to provide dummy parameters as long as the positions and spacing of the numbers are correct.

We are working on improving the error messages on the website.

[DetlevCM]

Thanks for the response. I worked around it by merging mechanisms and then updating the thermodynamic data by hand. More tedious, but it works.

I didn't think of dummy parameters. I was perplexed why it didn't work and then it dawned on me that this is the only difference in the models -> hence the bug report.
A more robust solution would be to check Tmax in the Python script and not exceed it in the calculation.
Either by not calculating any value if Tmax is too low or by calculating from Tmin to Tmax.
(Incidentally, the same should apply to Tlow. If Tlow is too high, do not calculate or adjust the low end.)