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130 commits

Author SHA1 Message Date
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
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