Commit graph

37 commits

Author SHA1 Message Date
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
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
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
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
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
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
ad2baad993 [Reactor/Test] Added a regression test for reactor surface chemistry 2013-05-23 19:32:31 +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
183af676d5 [ck2cti] Added support for the UNITS keyword 2013-01-11 22:56:25 +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
ea16489a82 Added data files needed for transport import tests 2012-08-29 22:32:47 +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
4e0fea7079 Added a test for converting Chebyshev and P-log reactions with ck2cti.py 2012-07-26 20:50:23 +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
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
761c2589e3 Added a test for reactors with wall interactions 2012-05-24 16:29:23 +00:00
Ray Speth
6803cab965 Added missing data for equilibrium tests 2012-04-16 20:59:54 +00:00
Ray Speth
64ccd58680 Added a kinetics test suite with tests for P-log reactions
Added a sample mechanism file containing P-log and Chebyshev reactions.
2012-03-30 23:47:58 +00:00
Ray Speth
9be5c325f1 Added a Python reactor network test 2012-03-30 23:46:19 +00:00
Ray Speth
9124b361dc Added a few basic thermo tests to the Matlab unit tests 2012-03-23 22:16:28 +00:00
Ray Speth
b0ccecf4e4 Added machinery for running Python unit tests 2012-02-27 18:12:42 +00:00