Mole fractions have to be set before T and P; otherwise, the pressure
changes. Before the change, the pressure was significantly lower than
5 atm. Also fix incorrect use of 'kin_newFromFile', which causes
unintended linkages to default objects that do not raise exceptions
but may lead to erroneous results.
PDSS_ConstVol now converts 'density' and 'molar-density' fields from
the 'equation-of-state' field, making it consistent with other phases
that support these options.
Derivatives of the activity coefficients were being calculated incorrectly,
leading to bad values for enthalpies, entropies, and specific heat
capacities.
Partially resolves#1320
Fixes behavior when the tabulated species mole fraction has become 1.0 to within
machine precision, while the other species mole fraction is not quite zero.
Previously, calculations of partial molar enthalpies, entropies, and chemical
potentials were using the pure-species molar volumes rather than the ones
calculated by inverting the tabulated mixture molar volume.
Calculate partial molar volumes based on linearly interpolated dV/dXtab
rather than linearly interpolating the partial molar volumes themselves,
which does not satisfy the identity Vm == sum(vm[k]*X[k]).
Objects that need to hold pointers to the members of a C++ Solution,
like the Python Solution object or StFlow, can register a callback
with the Solution that will be called if any of the thermo/kinetics/transport
objects change.
Fixes#1409
Setuptools started giving the warning:
"Installing 'cantera.test' as data is deprecated, please list it in
`packages`."
for the data, test, and examples directories.
The `check_for_pytest` depends on `check_for_ruamel_yaml`
the pytest package is required on `install` phase and it results in
the Cantera installation fail if pytest absent
even if tests were not required.
This patch swap `check_for_pytest` and `check_for_ruamel_yaml`
dependency order.
The explicit `test-python-convert`, `test-python` targets are dropped
from `check_for_ruamel_yaml` because the `check_for_pytest`
includes `target.startswith("test-python")`.
Signed-off-by: Sergey Torokhov <torokhov-s-a@yandex.ru>
