This separates the handling of interactions between reactors (mediated by
Wall objects) and surfaces on which surface reactions occur (handled by
ReactorSurface). This simplifies the implementation within reactor, and
reduces the complexity of user code involving surface reactions by
eliminating the need to set up a Reservoir object for the opposite side
of a Wall object that is only being used for surface reactions.
The new class is named MultiSpeciesThermo, so that (eventually) the name
SpeciesThermo can be used for the single-species class SpeciesThermoInterpType.
Currently, trivial wrappers for classes named SpeciesThermo and
GeneralSpeciesThermo to maintain backwards compatibiity for Cantera 2.3.
Check for a system copy of Eigen, and if that is not found, install
Eigen's headers with the Cantera headers. Add the header 'eigen_dense.h'
to provide a single header to include from other locations.
This allows one to define functions in Python which will be called after each
successful time step or steady state solve, from which the state of the solver
can be inspected.
These headers should only include general functionality, i.e. base classes and
factory methods. Users working directly with derived types can include the
relevant headers directly.
Deprecate some top-level headers which are not really useful.
Update to current master (pre-3.0), and change remote repository to reflect name
change from cppformat to fmt. Needed to be updated now because one of the
submodules referenced in the 1.1.0 release no longer exists due to the change in
the Github organization name from cppformat to fmtlib.
Passing the full parameter vector to evalEqs for each reactor and wall
eliminates the need to re-order the parameter vector. Instead, each reactor and
wall just needs to know the indices of its sensitivity parameters, which are now
returned by ReactorNet::registerSensitivityReaction.
Using this instead of modifyHf298 to reset the thermo data to its original
state avoids round-off errors that otherwise make modifications to the
species thermo data irreversible.
This function is called after any change in composition, and can be used by
phases to update quantities that are affected by the composition change, instead
of needing to overload all of the different functions which update the
composition.
Can't be constructed from ThermoFactory, and constructor from file is not
implemented. Also, the getChemPotentials method uses the m_work array, which is
never initialized because the private method initLengths() is never called.
See #267
