Get PoKiTT to work with the cantera repository
Currently PoKiTT requires a forked version of Cantera. This makes PoKiTT installation awkward. The only changes in the forked version are APIs for PoKiTT to obtain thermo, kinetics, and transport data from Cantera. However this is straightforward to fix for thermo and kinetics as shown below. Transport will need a change to Cantera.
Thermo
CanteraObjects.cpp
line 351 should look something like this (only change the type):
const Cantera::MultiSpeciesThermo &spThermo = gas->speciesThermo();
Kinetics
CanteraObjects.cpp
lines 367, 370 should change. Get the reaction inside the loop instead of getting a vector of reaction pointers (you can get the number of reactions for the loop range from the gas
object) as below using the reaction
method on the gas
object. Inside the loop the first two lines should look something like this:
const Cantera::shared_ptr< Cantera::Reaction > thisReaction = gas->reaction( r );
RxnData rxnData( *gas, *thisReaction, molecularWeights_ );
Transport
It looks like Cantera currently lacks functions that return the m_condcoeffs
, m_visccoeffs
, or m_diffcoeffs
variables.