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libantioch / antioch

C++ Chemical Kinetics, Thermodynaimics, and Transport Library
https://libantioch.github.io/
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Gri30 #219

Closed SylvainPlessis closed 7 years ago

SylvainPlessis commented 8 years ago

This should do the trick for the absurdity of FalloffThreeBody stuff.

I've updated the xml parser, the test is the one described by @roystgnr in #211, namely:

My personal preference would be to check for ( + M *) in the equation, use that to determine the reaction is three-body, but then continue to verify that only three-body reactions have efficiencies.

I don't remember, and I haven't rechecked yet, but the string + M is also used for a type of reaction, we should verify if it could be considered a positive match.

This test requires C++11 using std::regex.

The xml parser test has one Troe and one Lindemann falloff three-body more, I don't think it's of any interest to test for all the possible combinations.

SylvainPlessis commented 8 years ago 
terminate called after throwing an instance of 'std::regex_error'

I can't reproduce it... Any idea welcome. I'll look into it this evening.

Time for :coffee: :grinning:

roystgnr commented 7 years ago

I'll give it a try on a couple systems and see if I can reproduce.

roystgnr commented 7 years ago

Obsoleted by #228