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161 commits

Author SHA1 Message Date
Ray Speth
24c509f539 [Kinetics] Fix some cases where duplicate reactions were not detected 
Also add several tests which check that the various kinds of duplicate
reactions are being identified as errors or allowed as intended.
 2014-11-07 02:15:03 +00:00
Ray Speth
74a522bdda [Test] Add tests for parseCompString 
These tests are added as the first part of the new gtest test suite 'general'
 2014-11-07 02:14:54 +00:00
Ray Speth
0fd5f14288 [SCons] Rename 'cython' test suite to 'python' 
Since the old Python module is gone, we don't need this one to have a different
name.
 2014-11-01 00:13:41 +00:00
Ray Speth
5bc4a12e2e Add options for handling Species containing undefined elements 2014-10-17 23:44:37 +00:00
Ray Speth
26b6f190f3 Introduce class Species 2014-10-17 23:44:31 +00:00
Ray Speth
53abe2ee9a [Thermo] Always use GeneralSpeciesThermo 
The specialized SpeciesThermo derived types offer no performance benefit now
that GeneralSpeciesThermo manages calculation of the temperature terms
efficiently.
 2014-10-15 02:03:06 +00:00
Ray Speth
5cb1d6b338 [Test] Add some SpeciesThermoInterpType tests 2014-10-15 02:03:03 +00:00
Ray Speth
044235c065 [SCons] Remove unnecessary uses of pjoin 2014-10-08 16:54:49 +00:00
Ray Speth
0db18ad0b1 [SCons/Test] Re-run tests if shared library changes 2014-10-08 16:54:39 +00:00
Ray Speth
6d4271fdfe [Test] Improve visibility of total test suite failures 
Treat crashes when running the GTest test programs and the Python test suite as
being more severe than individual test failures.
 2014-10-03 22:15:06 +00:00
Ray Speth
ceeaaecae7 [Test] fix some size_t warnings 2014-10-03 01:45:38 +00:00
Ray Speth
23921c7889 [Test] Run 'appdelete' at end of GTest tests 
This makes it easier to find memory leaks when using Valgrind by suppressing
false positives associated with data cached by Cantera.
 2014-10-01 17:52:28 +00:00
Ray Speth
ab4813c592 [Test] Fix memory leaks in CtiConversionTest and ChemkinConversionTest 2014-10-01 17:52:26 +00:00
Ray Speth
1a5f75dd2d [Test] Use Cantera shared library for tests, when possible 
On Linux systems, link tests against the Cantera shared library, rather than the
static library to reduce the size of the compiled test suite. This saves over 1
GB of disk space when compiling with debug symbols enabled, and also reduces the
run time of the test suite.

This does not work on Windows, where the shared library only exports the Cantera
C interface.
 2014-10-01 17:52:21 +00:00
Ray Speth
4544fd3392 [Test] Build tests with optimization disabled 
Compiling the tests takes longer than running them, so it actually saves time to
compile the tests with optimizations disabled.
 2014-10-01 17:52:18 +00:00
Ray Speth
5c26f7b003 [Test] Preliminary tests for constructing a phase without an input file 2014-09-27 00:09:16 +00:00
Ray Speth
79461c34e8 [Thermo] Add default value for 'id' argument of 'newPhase' 2014-09-27 00:09:11 +00:00
Ray Speth
53102e8d70 [Test] Convert 'fracCoeff' test to GTest 2014-09-26 13:45:06 +00:00
Ray Speth
992782d1e2 [Test] Show test class and test name for failing GTest tests 2014-09-26 13:45:02 +00:00
Ray Speth
337c573958 [Test] Move NASA9poly test to GTest test suite 2014-09-24 23:18:01 +00:00
Ray Speth
de9928977c [ck2cti] Preserve mechanism header comment block 2014-09-24 23:17:47 +00:00
Ray Speth
a3bba51f06 [ck2cti] Preserve comments in the REACTIONS section 2014-09-24 23:17:44 +00:00
Ray Speth
ab6ae72e0d Add missing reaction to "h2o2" mechanism 
This mechanism, which is supposed to be the H2 mechanism extracted from GRI-3.0,
was actually missing the reaction H+O2+M <-> HO2+M. This updates the original
input file, regenerates h2o2.cti, and updates the blessed output file for one
test (which changed because the newer version of ck2cti actually retains the
given precision of the transport properties).
 2014-09-23 02:20:49 +00:00
Ray Speth
83ae446142 Remove redundant copy of h2o2.xml 2014-09-23 02:20:43 +00:00
Ray Speth
09db5a498a [Thermo] Add getMass/MoleFractionsByName functions with thresholds 
This makes it easier to set the composition of a phase based on the composition
of another phase with a different set of species. The threshold argument allows
species with negligible concentrations to be skipped.

Deprecate the unused getMoleFractionsByName function that didn't return a
value.
 2014-09-18 22:58:59 +00:00
Ray Speth
2b67ec4538 [Test] Add surface kinetics test based on the sofc.py example 2014-07-30 16:59:30 +00:00
Ray Speth
4236c97259 [Test] Add multiphase equilibrium tests based on 'adiabatic.py' example 2014-07-30 16:59:23 +00:00
Bryan W. Weber
a03b7d6123 [ck2cti/test] Add test for empty reaction section in CK input file 2014-07-17 15:36:53 +00:00
Ray Speth
868573080d [Python/1D] Add premixed counterflow flame configuration 2014-07-10 22:34:24 +00:00
Ray Speth
c29ae666c0 [CTI] Allow non-integer atomicity 
This allows specification of lumped species with average compositions,
such as C10.6H21.8.
 2014-06-06 00:18:13 +00:00
Ray Speth
3e3557e756 [Test] Add more tests of the VCS equilibrium solver 
These tests are based on the 'plasma_equilibrium.py' example, and include
a fairly large number of phases, some of which are only present for certain
temperature ranges.
 2014-05-27 02:54:02 +00:00
Ray Speth
2df0396879 [ck2cti] Relax formatting requirement for Chebyshev coefficients. 
Allow coefficient data to begin on the same line as the declaration of the
order of the polynomial in each dimension.

Fixes Issue 219.
 2014-05-07 21:57:34 +00:00
Ray Speth
d6a3ea4aa7 [ck2cti] Allow stoichiometric coefficients ending in decimal points 
Fixes Issue 220.
 2014-05-07 21:57:22 +00:00
Ray Speth
9cddf5aaed Add test to check that error messages from ctml_writer are propagated 2014-05-06 14:39:54 +00:00
Ray Speth
5cb1c787ad [CTI] Allow omitting third body in Chebyshev reaction equations 2014-05-06 14:39:01 +00:00
Ray Speth
87bea8ae30 [CTI] Relax formatting requirements for third bodies in reaction strings 
Allow 'A + B (+M)' in addition to 'A + B (+ M)'
 2014-05-06 14:38:50 +00:00
Ray Speth
f8ff70ed38 [ck2cti] Make 'PCHEB' and 'TCHEB' keywords case insensitive 
Fixes Issue 213.
 2014-04-08 19:39:16 +00:00
Ray Speth
53820ed4a3 [Test] Remove remnants of the old Python test suite 2014-04-08 16:27:19 +00:00
Ray Speth
8e91a34b82 [Test] Fix reported number of passed tests 
The file used to identify the results of the individual Python 3 tests was being
truncated. Updating it incrementally seems to avoid the problem.
 2014-04-08 16:27:06 +00:00
Ray Speth
f8ee065368 [Test] Fix test status report if Python test crashes 2014-04-08 16:27:01 +00:00
Ray Speth
50344cb34f [ck2cti] Improve error messages associated with missing input files 2014-03-27 01:29:50 +00:00
Ray Speth
da63482fea [ck2cti] Add tests calling ck2cti from C++ 2014-03-27 01:29:43 +00:00
Ray Speth
17500064c2 [Test/Python] Add interface for running individual tests 2014-03-24 04:03:39 +00:00
Ray Speth
1fd98a2f08 [Test] Allow 'runCythonTests' to be called from any working directory 2014-03-24 04:03:35 +00:00
Ray Speth
3eba9641ab [SCons] Continue running test suite if Python tests crash 
If the Python test suite crashes, it won't save a results file, but we can still
run the rest of the tests and report this specific failure.
 2014-03-17 02:05:17 +00:00
Ray Speth
338a54f101 [SCons] Simplify implementation of changes in r2810 
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.
 2014-03-17 02:05:09 +00:00
Harry Moffat
3d5aa42e77 Fixed the LD_LIBRARY_PATH and PYTHONPATH specifications for scons's test suite on multiuser linux boxes. 
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.
 2014-03-14 23:56:55 +00:00
Victor Brunini
584abf0d10 Performance improvements for HMWSoln and MaskellSolidSolnPhase. 
HMWSoln: avoid recomputing lambdas if ionic strength hasn't changed.

MaskellSolidSolnPhase: Avoid recomputing activity coefficients if
r and T haven't changed.
 2014-03-12 20:37:04 +00:00
Victor Brunini
1565bad198 MaskellSolidPhaseSoln thermo updates. 
Fix sign error in chemical potentials and update
activity coefficients accordingly.

Correct implementation of getActivityConcentrations()

Additional unit tests.
 2014-03-07 17:14:13 +00:00
Victor Brunini
0981391ac4 Implement and test MaskellSolidSolnPhase::getActivityCoefficients(). 2014-03-07 00:53:33 +00:00