Commit graph

121 commits

Author SHA1 Message Date
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
Victor Brunini
7abb459bbe Implement MaskellSolidSolnPhase::standardConcentrations() and getActivityConcentrations() 2014-03-06 22:30:19 +00:00
Victor Brunini
5898bf025f Implement MaskellSolidSolnPhase::getPartialMolarVolumes()
User VPStandardStateVP as base class and just return
the standard state molar volumes.
2014-03-06 20:23:23 +00:00
Victor Brunini
e7a24f7acd Unit test ThermoPhase::getElementPotentials and setElementPotentials. 2014-03-06 01:06:25 +00:00
Victor Brunini
32ce311bed Fix Issue 209.
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.
2014-03-06 00:08:58 +00:00
Ray Speth
30bf2c806f [Scons/Test] Allow test suite to continue if gtest crashes
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.
2014-03-05 03:25:19 +00:00
Victor Brunini
93fcf181b1 Initial pass at implementing Maskell solid solution ThermoPhase.
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.
2014-02-28 00:38:09 +00:00
Ray Speth
16927ae538 [SCons] Workaround for SCons bug under Cygwin
See SCons Issue 2911.
http://scons.tigris.org/issues/show_bug.cgi?id=2911
2014-02-20 03:01:05 +00:00
Ray Speth
43360663c2 [SCons/Test] Include GTest unit tests individually in test result summary 2014-02-06 22:59:10 +00:00
Ray Speth
6a9fee8805 [Test] Register premature termination of Python tests as a failure 2014-01-30 00:47:58 +00:00
Ray Speth
ff9584105b Do implicit CTI to XML conversions without generating .xml files
When instantiating a phase from a .cti file, do the conversion in memory,
without writing the XML representation to disk. This eliminates the unrequrested
XML files that Cantera normally generates, and also avoids errors when running
Cantera from a directory where the user does not have write permissons.
2014-01-30 00:47:37 +00:00
Ray Speth
4c504a4ff2 [Test] Simplify reported names of failing Cython tests 2014-01-24 20:40:43 +00:00
Ray Speth
e7944771c5 [Test] Fix failure count to include Python tests which report 'ERROR' 2014-01-24 20:40:37 +00:00
Ray Speth
c34877a96f [ck2cti] Fix support for species names containing '+' and '='
This addesses a parsing error that would occur if a mechanism contained both
'foo' and 'foo+', where reactions written as 'foo+bar' would be parsed as a
reaction with 'foo+' and 'bar'.

See Issue 182.
2014-01-24 20:40:26 +00:00
Ray Speth
1ff7bc2f3b [SCons] Remove check for <tr1/tuple>
Updated gtest version makes this special case unnecessary.
2014-01-21 17:22:09 +00:00
Ray Speth
d3422e70dd [SCons] Fix count of skipped tests
Exclude the partial tests of the Cython module which are included in the full
test.
2014-01-11 00:20:21 +00:00
Ray Speth
e31eb0ccf0 [SCons] Include Python unit tests individually in test result summary 2014-01-09 23:12:32 +00:00
Ray Speth
a8d8f3f0ca [SCons] Check for <tr1/tuple>
This header is used by GTest. If not present, define 'GTEST_USE_OWN_TR1_TUPLE'
to use an alternative version. Fixes a compilation error on OS X.
2014-01-08 17:10:34 +00:00
Bryan W. Weber
1d1ad21840 [ck2cti] Fix for support of unterminated thermo sections
Fixes the case where the next section header contains a modifier, e.g. 'thermo
all' or 'reactions <units>'.

See Issue 199.
2014-01-06 18:47:02 +00:00
Bryan W. Weber
e3ab2dbf8a [ck2cti] Improve handling of duplicate species
Warn when a species is given multiple times in the input list. Do not add the
duplicate species to speciesList.

Resolves Issue 199.
2014-01-06 18:46:49 +00:00
Ray Speth
8a8926849f [SCons] Fix running the Python 3 test suite 2013-12-20 19:21:41 +00:00
Ray Speth
ddd82bd3c1 [SCons] Refactor Python test preparation 2013-12-18 17:45:35 +00:00
Ray Speth
7e64056082 [SCons] Add options to run subsets of the Python test suite
New test targets are automatically generated from the test_foo.py
scripts, with the new targets named like 'cython2-test-foo'.
2013-12-18 17:45:30 +00:00
Ray Speth
e7e5d739a1 [Test] Fix some issues with PYTHONPATH 2013-12-09 01:36:03 +00:00
Ray Speth
b5e540c903 [Python] Remove the legacy Python module 2013-12-09 01:35:08 +00:00
Ray Speth
07739c4b1f [Cython] Move CTI/CTML converter tests from old Python module to Cython module 2013-12-09 01:34:50 +00:00
Ray Speth
57f1506d0b [Cython] Move reactor tests from old Python module to Cython module 2013-12-09 01:34:46 +00:00
Ray Speth
59564659b3 [Cython] Move equilibrium tests from old Python module to Cython module 2013-12-09 01:34:41 +00:00
Ray Speth
6ec7d04839 [Cython] Move pure fluid tests from old Python module to Cython module 2013-12-09 01:34:36 +00:00
Ray Speth
24e3f99da4 [Cython] Move kinetics tests from old Python module to Cython module 2013-12-09 01:34:30 +00:00
Ray Speth
70a728c8f7 [Cython] Move thermo tests from old Python module to Cython module 2013-12-09 01:34:25 +00:00
Ray Speth
b280af2af1 [SCons] Fix PYTHONPATH used by test suite
This was broken by changes made in r2535.
2013-12-09 01:34:11 +00:00
Ray Speth
a289e6f613 [ck2cti] Add support for species names containing '+' and '=' 2013-12-06 23:15:24 +00:00
Ray Speth
a786135f13 [ck2cti] Add support for truncated section header names
Accept truncated section names such as 'REAC' for 'REACTIONS' and
'ELEM' for 'ELEMENTS'.
2013-12-06 23:15:18 +00:00
Ray Speth
af0b0f2211 [Python/Test] Run tests that were being accidentally ignored 2013-12-05 20:54:11 +00:00
Ray Speth
1a291b47fe [CTI] Add optional 'note' field to Phase definitions
The note field is preserved when converting to XML, and can be used to
store extra information used by applications other than Cantera.
2013-12-05 20:54:08 +00:00
Harry Moffat
cfa4493b51 Worked on fixing errors in the code that caused problems with downstream code.
Took out single_species compilation option

took out some deprecated warnings

Fixed an error in copy constructors for thermo.

Still an error with PYTHONPATH and the test suite

 -- more to come.
2013-09-02 00:58:28 +00:00
Ray Speth
94f1b35b79 [ck2cti] Partial support for scientific notation in stoichiometric coefficients
This won't work for positive exponents, because the '+' will still be
interpreted as a delimiter between terms of the reaction expression.
2013-10-21 01:55:18 +00:00
Ray Speth
346f9e196f [Cython] Use unittest2 when necessary to support Python 2.6 2013-07-23 15:30:47 +00:00
Ray Speth
ab7775e67e [Cython] Fix Python 2.6 compatibility issues with sys.version_info
The "major" attribute is a new feature in Python 2.7.
2013-07-18 22:39:26 +00:00
Ray Speth
a20fd58000 [1D] Fix save/restore when mechanism size differs
The failures were caused when attempting to restore the tolerance vectors, which
have a value for each species. Since these tolerances are usually the same for
all species, the last value in the array can be used to extend the array to the
required length.

Also add some tests for this feature.
2013-07-18 00:04:13 +00:00