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93 commits

Author SHA1 Message Date
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
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