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proposed changes to configuration format #11

Merged
merged 31 commits into from
Jan 18, 2024
Merged

proposed changes to configuration format #11

merged 31 commits into from
Jan 18, 2024

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K20shores
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@K20shores K20shores commented Jan 3, 2024

Changes:

  • version listed at top
  • removed top level camp-data
  • every reaction not involving aerosols has products and reactants keys. The type determines how they are used
  • extraneous information not related to mechanisms can be added with two underscores __, like the absolute tolerance which is a solver parameter
  • Species don't need to specify which phase they are in
  • every reaction can now have an optional label called name
  • Time units can no longer be specified
  • now we have explicit arrays for species, reactions, phases, meaning we no longer need TYPE keys for anything except reaction types
  • Removed Ternary Activation in favor of Troe; the only difference was the presence of M, which can be added
  • Used full names for exp (exponential) and coeff (coefficient)
  • Renamed Wennburg_NO_RO2 and Wennburg_Tunneling to Branched_NO_RO2 and Tunneling
  • Removed the ability to split species, phases, reactions, across multiple files. Applications that use the format will have to configure that

@K20shores K20shores requested a review from dwfncar January 10, 2024 20:17
@K20shores
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@jcurtis2 @mwest1066, if you get a chance, I'd appreciate your feedback on these proposed changes.

And as an FYI, this repository will also publish a tool that parses these files and returns all of the data in arrays of structs for solvers to do what they will with

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@mattldawson mattldawson left a comment

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this looks great to me!

@K20shores K20shores merged commit 3d45292 into main Jan 18, 2024
26 of 27 checks passed
@K20shores K20shores deleted the config_changes branch January 18, 2024 17:59
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3 participants