XML_Node::build will make that node the root node (i.e. the 'ctml' node)
of the tree, instead of giving that node a child node containing the actual
root node.
VPStandardStateTP phases now use the same pathway for adding species as
other phase in importPhase. Deprecate the now-unused 'installSpecies'
function.
No data from the outer 'species' node is needed to instantiate the
SpeciesThermoInterpType object, so this function can just take the 'thermo' node
directly.
Since the Species object now stores its SpeciesThermoInterpType contents as a
shared_ptr, it is undesirable to have the Species constructor take this as a raw
pointer argument.
In those cases where the name is actually a reference to the class, we actually
want Doxygen to apply formatting to the name and link to the class's
documentation, so we shouldn't suppress that behavior with the prepended '%'.
The specialized SpeciesThermo derived types offer no performance benefit now
that GeneralSpeciesThermo manages calculation of the temperature terms
efficiently.
Phase::addElements(string name, ...) is the single entry point for adding
elements. It always perform the uniqueness check, and can do the extra
additional work required to add elements to a phase that already has species,
removing the need for "freezing" the phase's elements. Parsing the XML tree for
elements is now handled in "installElements". The variant element-adding methods
are deprecated.
Now the complete XML file is storred within the ThermPhase object starting with the root node.
This is needed for later processing of kinetics and transport mechanisms when the ThermoPhase
file is duplicated and the original file is deleted.
xml() is now a const function, and still returns the same pointer.
setXMLdata() is a new function will stores the xml data.
Based on Maskell, Shaw, and Tye, Electrochimica Acta 28(2) 225-230 1983.
Includes unit tests checking calculation of the chemical potential values
and parsing of the mixing enthalpy parameter from an XML file.
This violates basic paradigm of what the user inputs the user gets.
If this is necessary, this needs to be a cpp utility program that is run before the main simulation.
Adding the attribute allow_discontinuities="true" to a phase's
'thermo' node (CTML) or adding 'allow_discontinuous_thermo' to a
phase's 'options' argument (CTI) will disable the automatic adjustment
of the provided polynomials so that enthalpy and entropy are
continuous at the midpoint temperature.
Avoid an O(N) lookup for the thermo info for each species. Using an
unordered_map would be even better, but there's no portable way to do that
without Boost.
