Once #103 is fixed so that each Thermo object can be re-used in multiple kinetic models, we need to fix the importer script that sucks in the RMG-models database, so that it recognizes re-used thermo and makes the appropriate joins. (I think joined by ThermoComment)
Might be worth adding method(s) to the Thermo class in the Models, to look up thermo by value, or from an RMG object.
Once #103 is fixed so that each Thermo object can be re-used in multiple kinetic models, we need to fix the importer script that sucks in the RMG-models database, so that it recognizes re-used thermo and makes the appropriate joins. (I think joined by
ThermoComment)Might be worth adding method(s) to the Thermo class in the Models, to look up thermo by value, or from an RMG object.