In the case where temperature changes but the mole fractions are the same, we
still need to apply the enthalpy and entropy offsets to the tabulated species.
ctml_writer was severely truncating Redlich-Kwong coefficients when converting
from CTI to XML formats, keeping only 5 significant digints in the "a"
coefficients and two decimal digits in the "b" coefficients, which is less than
what is used even in the example CTI files. The use of the "%f" format also
meant that the precision depended on input units.
Since the leading Chebyshev coefficient has effective units like
log(cm^3/kmol), it needs to be converted directly to the default units of
the CTI file.
Analogous to the fix for PLOG reactions in #435.
The old (C++) ck2cti program unnecessarily rounded some species transport
coefficients. This updates the coefficients in the input files derived from GRI
3.0, and updates the test comparisons for affected tests.
-Fixes small typo id incclude/cantera/base/utilities.h docstring
-Removes `m_formGC` from BinarySolutionTabulatedThermo class, and
instead utilizes version and functionality inherited from parent
class `IdealSolidSolnPhase`.
-Moves samples/matlab/lithium_ion_battery/lithium_ion_battery.cti
to data/inputs/lithium_ion_battery.cti
-Fixes typo in test/data/BinarySolutionTabulatedThermo.cti
-Updates expected_result values in several test cases in
test/thermo/BinarySolutionTabulatedThermo_Test.cpp
Using negative values to indicate unspecified parameters doesn't work, since
either constant in "a = a0 + a1*T" can be negative and still produce a positive
value for "a". Instead, NaN can be used for this purpose.
In some models, SpeciesThermoInterpType objects on individual species are not
used. Instead of requiring the specification of placeholder thermo data, this
allows the base SpeciesThermoInterpType class to be used, which will throw an
exception if it is inadvertently used.
Previously, lines which did not contain a reaction equation or a known keyword
and did not contain any slashes would be silently skipped. This caused reactions
mistakenly written using '->' as the arrow to be ignored without warning.
Fixes#583
When the nonreactant_orders option was enabled, specifying reactant orders for
species which were not present in the phase previously resulted in out-of-bounds
memory access.
This portion of the Matlab test suite was being skipped on some platforms and/or
Matlab versions. Switching to the 'classdef' style of tests fixes the problem.
Outright failures of the Matlab test suite which result in the test log file not
being written no longer cause SCons to abort. Instead, they are logged as a
major test failure, similar to the behavior of the Python test suite.
New scons build option introduced to replace 'system_googletest'
and allow to not use 'googletest' module while running test
(all tests that require this module could be omited)
New option description:
'googletest',
"""Select whether to use gtest/gmock from system
installation ('system'), from a Git submodule ('submodule'), to decide
automatically ('default') or don't look for gtest/gmock ('none')
and don't run tests that depend on gtest/gmock.
If this option is set then it suppress the deprecated 'system_googletest' option."""
Old option is still presented and mentioned as 'deprecated'.
Option 'googletest' supresses the old 'system_googletest' one.
The check was being done at a stage where the token being checked could be just
a part of a key (if the key contained a colon), where this partial key could
correspond to another valid key.
Fixes#525
Species names starting with the short form of input file section names
(e.g. 'tran') were incorrectly identified as indicating the start of that
section if they occurred at the start of a line.
Surface reactions were not being written to the CTI file if there were no
gas-phase reactions present.
Also update the count of reactions printed in the output summary to include
surface reactions.
`ConstDensityThermo::standardConcentration(k)` is now calculated
as `density()/molecularWeight(k)`, rather than the previously
incorrect `molarDensity()`.
Note that this causes a problem for any species where
`molecularWeight(k)=0` (i.e. vacancies). Such species should be
avoided, in this phase model.
For that reason, `sofc-test.xml` is changed so that the oxide bulk
is modeled as an `IdealSolidSolution`
Update and make more consistent the specification of Python package
building. Since SCons can be run by Python 3 now, we cannot assume that
the Python running SCons is Python 2. This changes a bunch of
assumptions in SConstruct about where things should be built or
installed. This commit addresses those assumptions by making the options
for Python 2 and Python 3 symmetric.
If no full or minimal Python interface is being built, copy the minimal
interface into the build directory and use the sys.executable to run it,
so the tests that require CTML or CTI conversion can run.
Fixes the appearance of C2797 (list initialization inside member
initializer list or non-static data member initializer is not
implemented). This was preventing building/running tests with
msvc_version=12.0. It was fixed using Visual Studio 2013 (12.0)
Update 5.
