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libantioch / antioch

C++ Chemical Kinetics, Thermodynaimics, and Transport Library
https://libantioch.github.io/
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XML Parser Updates #254

Closed pbauman closed 6 years ago

pbauman commented 6 years ago

Closes #4

XMLParser now has a constructor that takes the phase name. Within the phase section of the XML file, you can point to a specific speciesArray and reactionArray, allowing multiple species and reaction sections in the XML file. Previously, we were just grabbing the first one we found. I've preserved that behavior for backward compatibility, but have deprecated it. This will also allow us to parse the active species directly from the XML file (e.g. for use in GRINS).

I also beefed up the testing on the GRI3 file that is shipped with Cantera (and that we ship with Antioch) as part of this effort. So we are testing this new feature and also hitting cross-compatibility with Cantera's format better. (And we do want to support it, their ck2cti utility is really useful as well as ctml_writer for converting their very easy-to-read (and write!) cti format to this XML).

pbauman commented 6 years ago

Squashed in missing header for std::unique_ptr that local compiler didn't complain about.