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Three Body, irreversible reactions and float stoichiometric coefficients... #14

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FelixBiermann opened this issue Jul 26, 2021 · 1 comment

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@FelixBiermann
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Hello,

I am trying to get your tool working with complex reactions mechanisms (e.g. Glarborg et al. [2018]), where different type of reactions are implemented. The following problems have occurred:

  • Three body reactions with '+ M' and '(+M)' will lead to an error. I am trying to
  • Irreversible reactions denoted by '=>' are not accepted, as you are splitting reactants and products by '<=>' in the reaction string
  • Float stoichiometric coefficients are used in several gas phase mechanisms. However, you only accept integers.

All those bugs can be circumvent by the user, but they are very minor and can be fixed in minutes. If I find the time, I will try it myself and commit a pull request.

Anyways, thank you for your great work!

@uditgupta0912
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Thanks, Felix for the suggestions. Please feel free to do a pull request and I will merge your changes in. If I get some time, I will add in these changes myself too.
Appreciate the comments!

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