Forgot to update the cached state number in a few places in
my last commit.
Also uncovered a potential bug with m_A_Debye. m_A_Debye is only
set by A_Debye_TP() but is used by s_updatePitzer_lnMolalityActCoeff()
which could end up using an un-updated value for m_A_Debye through the
call chain:
setState_TP() -> calcDensity() -> getPartialMolarVolumes() ->
s_update_lnMolalityActCoeff() -> s_updatePitzer_lnMolalityActCoeff()
I changed both s_updatePitzer_lnMolalityActCoeff() and s_NBS_CLM_lnMolalityActCoeff()
to call A_Debye_TP() rather than using m_A_Debye directly to ensure that they
are always using an up to date value.
The ValueCache class is intended to standardize the method for implementing
value caching in Cantera, and to reduce the need to introduce additional member
variables to store cached variables and the thermodynamic state at which the
cached values were computed.
The initial usage is to replace the use of the m_tlast variable in IdealGasPhase
as an example.
Use the correct platform-independent path separator instead of assuming that it
is ':'.
Determine the PYTHONPATH variable in a single place for each Python version.
Rarefied gas dynamics is an import application area for Sandia, and
it represents a potentially important development direction for Cantera.
These classes provide inroads into that area.
The user's environmental variables are now passed down to the tests. Previously they had been ignored.
All of the python tests (minimal and full) had been failing for over a year or so for any installations which actually use the
LD_LIBRARY_PATH and PYTHONPATH environmental variables, which pretty much consists of all multiuser linux
machines.
Documentation can be built independently of the code by using the 'scons sphinx'
and 'scons doxygen' commands, as an alternative to using the options
'sphinx_docs=y' and 'doxygen_docs=y' to 'scons build'.
When using Python 3, using -1 as the dummy value for density and site_density
causes probems, because the (ordered) comparison between a density specified
with units (as a tuple) and 0 is not allowed. Instead, use None as the
placeholder value.
Try to identify the compiler based on a substring match rather than the
exact string, which will still work when the full path to the compiler
is given, or a version-tagged binary is used.
HMWSoln: avoid recomputing lambdas if ionic strength hasn't changed.
MaskellSolidSolnPhase: Avoid recomputing activity coefficients if
r and T haven't changed.
Fix sign error in chemical potentials and update
activity coefficients accordingly.
Correct implementation of getActivityConcentrations()
Additional unit tests.
installShomateThermoFromXML now checks that
7 coefficients are supplied in the floatArray and
throws if that is not the case.
Also update MaskeLLSolidSolnPhase_Test xml files
to correctly contain 7 coefficients to not trigger
the newly added throw.
If a gtest program crashes, register that as a single test failure.
Previously, the entire test suite would be aborted because the
attempt to open the test results file (gtest-foo.xml) would fail.
Attempting to copy or pickle Cantera objects with an underlying C++ object
previously led to unexpected errors. These operations will not raise excptions
indicating the unimplemented feature.
Resolves Issue 205.
