Updates to soln2ck

[tsikes]

@xMestas was interested in the changes I made to soln2ck so I'm creating this PR. This unfortunately will add additional dependencies, which is why I did not do this initially. My code requires the newest version of Cantera with the YAML format. I may have also changed the input file requirements, but I can't remember.

Beneficial changes:

• Produces more readable CK files by standardizing spacing, number format
• Copies notes from input file

There are some shortcomings with how I parse the notes based on matching reactions if there are duplicate reactions etc.

[kyleniemeyer]

Hi @tsikes, thanks for your contribution!

To clarify, when you say this depends on the newest version of Cantera, do you mean version 2.4.0 (the newest stable version) or the upcoming 2.5.0?

[tsikes]

Hey @kyleniemeyer!

I'm referring to the development version 2.5. Perhaps we could instead work together on making a yaml2ck file for Cantera, as discussed in the cantera enhancements thread? Then pyMARS and Frhodo can switch to using that as an output?

An example of the input style that I would prefer can be seen here

[khaledcomb]

@tsikes can you please help me to find the yaml2ck, I want to convert a yaml file to chemkin file but I didn't find this secript here in github or cantera site.
Thank you in advance

[kyleniemeyer]

@khaledcomb this currently does not exist - I am working on updating pyMARS to be compatible with Cantera v2.6.x, and the YAML format, but this is not yet ready.