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libantioch / antioch

C++ Chemical Kinetics, Thermodynaimics, and Transport Library
https://libantioch.github.io/
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Check at reading & parsing kinetics #41

Open SylvainPlessis opened 10 years ago

SylvainPlessis commented 10 years ago

We need a better parsing'n'check reading code for the kinetics. This is not urgent but on the TODO list.

We'll start with a paranoid checking, meaning if your kinetics inputs do not match exactly the requirements of the kinetics model, it'll crash yelling at you. The only tolerated error is the mixing between Kooij and Arrhenius, as it is quite usual (the code will still cry in that case, though).

SylvainPlessis commented 10 years ago

Along with the better reading part, we definitively needs XFAIL tests about this part.

SylvainPlessis commented 10 years ago

This is where #56 needed update belongs. The warning and error messages are to be redesigned. First we need the units pull request (#24) to be merged, it's got a big update on the reading and parsing header file. I reproduce here the suggestion:

Deprecation warning: Reaction ### from __FILE__ is provided with an 'Arrhenius' rate coefficient but specifies 'ModifiedArrhenius' behavior.  See Antioch documentation section ####.

preferably on one line.

Any other suggestions are welcomed here.