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75 commits

Author SHA1 Message Date
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
Ray Speth
a616d4f55f [Test] Fix dependencies so Cython tests run after rebuilding 2013-07-16 22:09:53 +00:00
Ray Speth
f7fc700c8c [ck2cti] Fix third-body reactions with explicit reverse rate expressions 2013-07-08 01:35:33 +00:00
Ray Speth
a69d56ab28 [ck2cti] Check for duplicate thermo entries 
By default, raise an exception.
With '--permissive', use the first entry found.
 2013-07-08 01:35:30 +00:00
Ray Speth
5d26a264f4 [ck2cti] Add limited support for unterminated sections 
Each section of the input file should end with 'END'. Other utilities that work
with these files don't always require this, so we allow unterminated sections
if the '--permissive' flag is used, otherwise these are considered errors.
 2013-07-08 01:35:27 +00:00
Ray Speth
812ec6ef77 [ck2cti] Fix for mechanism files with in-line transport data 2013-07-08 01:35:23 +00:00
Ray Speth
e8ab4dda28 [ck2cti] Fix handling of thermo entries with end-of-line comments 2013-07-08 01:35:20 +00:00
Ray Speth
f1e5183431 [ck2cti] Fix to allow species names starting with special characters 2013-07-08 01:35:15 +00:00
Ray Speth
08724c9ac3 [ck2cti] Translate "chemically activated" reactions 
These are reactions with an additional set of Arrhenius parameters labeled
'HIGH' in the input file. They may also have a set of falloff function
parameters.
 2013-07-06 21:44:10 +00:00
Ray Speth
77ccab92bd [Kinetics] Implement evaluation of "chemically activated" reaction rates 2013-07-06 21:44:02 +00:00
Ray Speth
9631f44d29 [Python] Fixed some more incompatibilities with Python 2.6 2013-05-24 20:14:14 +00:00
Ray Speth
7430e11aa5 [Test] Fixed regression in Python 2.6 support 
Support for the implcit handling of positional arguments with "{}" isn't
available until Python 2.7.
 2013-05-24 17:47:24 +00:00
Ray Speth
ad2baad993 [Reactor/Test] Added a regression test for reactor surface chemistry 2013-05-23 19:32:31 +00:00
Ray Speth
5d353c1ad4 [Test] Improved messages generated by chemkinConverterTest 2013-04-24 21:47:10 +00:00
Ray Speth
dc279dcbab [Test] Ensure that the local Python module is the one being imported 
Explicitly set 'interfaces/python' as the first entry in sys.path, rather
than reyling on the PYTHONPATH environment variable, which is sometimes
superseded, e.g. by virtualenv.
 2013-04-24 21:47:04 +00:00
Ray Speth
7da738d238 Re-applied consistent formatting to trunk 
Applied using: astyle -n --style=kr --add-brackets --indent=spaces=4
--indent-col1-comments --unpad-paren --pad-header --align-pointer=type
--lineend=linux
 2013-02-07 23:40:59 +00:00
Ray Speth
40d190cd89 [Test/Cython/1D] Added a test for counterflow diffusion flames 2013-01-17 15:30:50 +00:00
Ray Speth
8e7e81570a [SCons] Always re-run explicitly named tests 2013-01-11 22:56:40 +00:00
Ray Speth
183af676d5 [ck2cti] Added support for the UNITS keyword 2013-01-11 22:56:25 +00:00
Ray Speth
da67bc122c [Test] Refactored to eliminate repeated code in ck2cti tests 2013-01-11 22:56:19 +00:00
Ray Speth
8ae3ca5a17 [ck2cti] Refactored to add class Parser and remove global variables 2013-01-11 22:56:16 +00:00
Ray Speth
60d44997e0 [ck2cti] Added '--permissive' flag to ignore certain errors 2013-01-11 22:56:12 +00:00
Ray Speth
994acf84ea [ck2cti] Added ability to convert falloff reactions with explicit third bodies 
For reactions written as: R1+R2(+S1)=P1(+S1), the implication is that
the third-body efficiencies for all colliders besides S1 are zero.
 2013-01-11 22:56:05 +00:00
Ray Speth
ecb6c75cc8 [Test] Added outline for tests of ThermoPhase constructors 2013-01-11 22:55:56 +00:00
Ray Speth
04fb86b1ea Added a new SCons configuration variable 'warning_flags' 
This allows use of more extensive warning settings for the code that's actually
part of Cantera without generating excessive warnings on code automatically
generated code (e.g. f2c) or code that isn't part of Cantera proper (e.g. gtest,
libexecstream).
 2012-11-14 21:07:03 +00:00
Ray Speth
f82c6e50c7 SCons runs the unit tests for the Cython module 2012-09-06 19:58:32 +00:00
Ray Speth
ea16489a82 Added data files needed for transport import tests 2012-08-29 22:32:47 +00:00
Ray Speth
c0f2734719 Added tests for converting chemkin-format transport data with ck2cti.py 
Includes tests that check to make sure the converter detects duplicate and
missing species.
 2012-08-29 18:30:58 +00:00
Ray Speth
01a9bdcf58 Fixed handling of explicit reaction orders for some reactions 
For reactions with unity reactant stoichiometric coefficients, explicit values
for the forward reaction order were being ignored while setting up the
StoichManager.

Added a few tests that confirm that these rates are being calculated correctly.
 2012-08-17 16:43:13 +00:00
Ray Speth
f23c4fa940 Added a test for handling of explicit reaction orders in Chemkin input files 2012-08-17 16:43:02 +00:00
Ray Speth
7a327abb16 Added test for handling of explicit reverse rate constants in Chemkin input files 2012-08-17 16:42:53 +00:00
Ray Speth
eb9441182d Added test for converting "SRI" falloff functions from Chemkin input files 2012-08-17 16:42:43 +00:00
Ray Speth
021f66c755 Merge bug fixes from the 2.0 maintenance branch 2012-08-15 15:36:34 +00:00
Ray Speth
c092bbaede Fixed the order of include and library directories when compiling 
Include directories in the Cantera source tree should be listed first so that
they take precedence over headers from other installed copies of Cantera that
might end up on the include search path. This was potentially a problem when
Cantera was installed in the same location (e.g. /usr/local) as one of its
dependencies (e.g. Sundials).

The same logic applies to directories on the library link path.
 2012-08-10 21:03:06 +00:00
Ray Speth
bcb79d9cd3 Convert .cti files in data/inputs to .xml as part of the buld process 
The full set of .cti and .xml files to be installed is placed in build/data (for
use by the test suite) and copied to the CANTERA_DATA folder on installation.
 2012-08-02 15:47:45 +00:00
Ray Speth
4e0fea7079 Added a test for converting Chebyshev and P-log reactions with ck2cti.py 2012-07-26 20:50:23 +00:00
Ray Speth
7472136e44 Converter tests now check some kinetics parameters 2012-07-26 20:49:33 +00:00
Ray Speth
9801b03a50 Moved nasa9_reader test to Python 2012-07-26 20:49:26 +00:00
Ray Speth
13e188381d Moved ck2cti tests to the Python test suite 2012-07-26 20:49:18 +00:00
Ray Speth
97acc868fb Added a test where an unbalanced reaction is detected 2012-07-26 20:49:14 +00:00
Ray Speth
db57f3a200 Added test to confirm that ck2cti.py detects missing thermo data 2012-07-26 20:49:06 +00:00
Ray Speth
0e21bfd0e0 Introduced a test suite for Chemkin-format mechanism conversions 2012-07-26 20:49:01 +00:00
Ray Speth
5c041b51cf ck2cti.py now checks for undefined elements 2012-07-26 20:48:49 +00:00
Ray Speth
824a364af8 Regenerated some blessed test output to reflect updated physical constants 2012-06-12 22:48:46 +00:00
Ray Speth
d645eaf418 Aggregate all test results into the summary printed after 'scons test' 
In addition, if any of the Python, Matlab, or gtest tests fail, the test
process will not be aborted. SCons will still exit with a non-zero status.
 2012-05-31 14:58:07 +00:00
Ray Speth
16da33ad42 Fixed compiler warnings in the test suite 2012-05-25 23:13:30 +00:00
Ray Speth
15b12608e3 Corrected labels on output from compareTimeSeries 2012-05-24 16:30:10 +00:00