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199 commits

Author SHA1 Message Date
Ray Speth
bfb20e1f50 Consistently use vector_fp and vector_int typedefs 2015-08-02 23:06:16 -04:00
Ray Speth
ceefc5ecb0 Consistently use ThermoPhase::RT() 2015-08-02 23:06:16 -04:00
Ray Speth
e4c45b6429 General whitespace cleanup 
Remove unnecessary blank lines and trailing whitespace. Replace tabs with
spaces.
 2015-08-02 23:06:15 -04:00
Ray Speth
b7a5aff900 [Thermo] Convert Shomate coefficients when creating objects 
Do conversion to nondimensional units once when creating the ShomatePoly object,
instead of every time that properties are calculated.
 2015-07-17 18:18:03 -04:00
Ray Speth
546289f737 Remove deprecated code with functional alternatives 2015-07-13 18:59:09 -04:00
Ray Speth
f252ff16cb [Test] Move "ChemEquil_gri_pairs" to GTest suite 
Also extend test to cover MultiPhase and VcsNonideal solvers as well.
 2015-06-24 13:05:28 -04:00
Ray Speth
4efad93a6d [Kinetics] Fix handling of integral, explicit reaction orders 
If any of the reaction orders differ from the corresponding stoichiometric
coefficients, the reaction needs to be handled as the general case, instead of
just when the orders are non-integral.
 2015-06-22 11:56:56 -04:00
Ray Speth
c446686c85 [SCons] Fix test summary when tests are run in parallel 2015-06-19 11:53:07 -04:00
Ray Speth
30d1d5ea99 [Test] Move "ChemEquil_gri_matrix" to GTest suite 
This also modifies the test to explicitly test each of the equilibrium solvers,
so that failures in any one solver aren't hidden by the fact that a different
solver works for a particular initial condition.
 2015-06-17 14:38:11 -04:00
Ray Speth
c2344377ac [Test] Move "ChemEquil_red1" to GTest suite 
The old version of this test didn't actually check any meaninful results. The
ChemEquil and VCS solvers are both able to solve this problem, but the
MultiPhase solver currently fails. Also, the BasisOptimize function may fail
depending on the order that the elements are specified in the input file.
 2015-06-16 16:16:21 -04:00
Ray Speth
e34b2739b2 [Test] Move "negATest" to GTest suite 2015-06-16 16:16:21 -04:00
Ray Speth
5214672ab3 Merge namespace ctml with namespace Cantera 2015-05-27 18:09:07 -04:00
Ray Speth
1c878c16de Fix issues indicated by compiler warnings 2015-05-26 11:42:20 -04:00
Ray Speth
ba9c9c768f [Kinetics] Use the name 'ThreeBodyReaction' consistently 2015-05-11 16:35:46 -04:00
Ray Speth
7a21855574 [Kinetics] Switch parameter order in ChebyshevRate constructor 
The usual order of arguments is temperature then pressure.
 2015-04-30 22:34:25 -04:00
Ray Speth
27e05d72f7 [Test] Add a test which includes a coverage-dependent rate constant 2015-04-26 11:44:19 -04:00
Ray Speth
9d4a3e0f75 [Kinetics] Reaction objects have Falloff objects 
This approach actually makes use of the fact that we have a Falloff type.
 2015-04-23 18:10:15 -04:00
Ray Speth
25953f94d4 [Transport] Make transport XML node optional 
The default is equivalent to specifying <transport model="None">
 2015-04-22 14:08:24 -04:00
Ray Speth
b0e5b13913 Remove redundant, unnamed root XML node from parsed documents 
XML_Node::build will make that node the root node (i.e. the 'ctml' node)
of the tree, instead of giving that node a child node containing the actual
root node.
 2015-04-20 18:34:39 -04:00
Ray Speth
aee6cc14ac [Transport] Remove 'name' variable from TransportData 
This was used only for validation error messages, but in that case we can just
use the Species object which is available during validation.
 2015-04-17 19:06:43 -04:00
Ray Speth
882a4986da Remove 'thermo' argument from Species constructor 
Since the Species object now stores its SpeciesThermoInterpType contents as a
shared_ptr, it is undesirable to have the Species constructor take this as a raw
pointer argument.
 2015-04-14 15:29:28 -04:00
Ray Speth
43952b30fc [Thermo] Use shared_ptr<Species> in ThermoPhase 2015-04-14 15:29:28 -04:00
Ray Speth
b495262aff [Matlab] 'cleanup' now deletes all Cantera objects 
'cleanup' previously only deleted ThermoPhase, Kinetics, Transport, Domain1D,
Sim1D, and XML_Node objects, while missing all objects associated with reactor
networks (Reactor, ReactorNet, FlowDevice, Wall), MultiPhase, Func1, and
reaction paths (ReactionPathBuilder, ReactionPathDiagram).

Fixes #251.
 2015-04-08 23:08:42 -04:00
Ray Speth
0f6fde82bd [Test] Update NasaPoly1Test to use the new SpeciesThermo constructor 2015-02-20 00:11:41 +00:00
Ray Speth
0a3332aa43 [Thermo] Add simpler constructors for SpeciesThermoInterpType objects 
These objects do not need to know the index of the species within the phase, so
the new constructors do not take that as an argument.

For the NASA polynomial constructors, the order of the coefficients arrays in
the new constructors has been modified to match the conventional ordering of the
coefficients as written in thermo database files.
 2015-01-22 00:04:06 +00:00
Andreas Rücker
49c963143e [1D] Add simple radiation model for flames 
Implements the radiation model of Liu & Rogg (1991). Optically thin limit,
gray-gas approximation using Planck mean absorption coefficients. Considers
emissions from CO2 and H2O, with the temperature-dependent absorption
coefficients calculated using polynomial fits to results from RADCAL
(Grosshandler, 1993).
 2015-01-15 21:15:15 +00:00
Ray Speth
44a99de4e0 [Test] Add tests for manually-constructed Transport objects 2015-01-13 23:06:59 +00:00
Ray Speth
9f6c9e3a46 [ck2cti] Fix reading some input files containing non-unicode characters 
In Python 3, attempting to convert some mechanisms would give errors like the
following:

UnicodeDecodeError: 'utf-8' codec can't decode byte 0x96 in position 348:
invalid start byte
 2015-01-12 19:55:37 +00:00
Ray Speth
5958578c40 [Kinetics] Check for negative and non-reactant reaction orders 
Allow non-reactant orders for electrochemical reactions

Allow negative orders specifically requested, e.g. by setting the
'negative_orders' option in the CTI definition of the reaction.
 2014-11-15 00:47:25 +00:00
Ray Speth
e3022a8057 [Kinetics] Check Reaction objects for orders on reversible reactions 2014-11-15 00:47:13 +00:00
Ray Speth
82fbff7a05 [Kinetics] Validate rate coefficient data for Reaction objects 2014-11-15 00:47:09 +00:00
Ray Speth
6727902c3f [Kinetics] Allow skipping third-body efficiencies when using Reaction 2014-11-15 00:47:04 +00:00
Ray Speth
ffe3eb5e5a [Kinetics] Check for undeclared species when using Reaction objects 
Skip the reaction or raise an exception based on the
'm_skipUndeclaredSpecies' flag
 2014-11-15 00:46:59 +00:00
Ray Speth
69650b8ec2 [Kinetics] InterfaceReaction supports sticking coefficients 2014-11-11 00:12:13 +00:00
Ray Speth
c4e6790fda [Kinetics] Implement addReaction from Reaction for InterfaceKinetics 2014-11-11 00:12:08 +00:00
Ray Speth
be585aab3e [Kinetics] Implement direct constructor for ChebyshevRate 2014-11-11 00:11:33 +00:00
Ray Speth
191e9bcc42 [Kinetics] Implement direct constructor for P-log reactions 2014-11-11 00:11:31 +00:00
Ray Speth
b4afcd3e8e [Kinetics] Implement addReaction using Reaction objects for GasKinetics 
This covers elementary, third-body, and falloff reaction types
 2014-11-11 00:11:25 +00:00
Ray Speth
24c509f539 [Kinetics] Fix some cases where duplicate reactions were not detected 
Also add several tests which check that the various kinds of duplicate
reactions are being identified as errors or allowed as intended.
 2014-11-07 02:15:03 +00:00
Ray Speth
74a522bdda [Test] Add tests for parseCompString 
These tests are added as the first part of the new gtest test suite 'general'
 2014-11-07 02:14:54 +00:00
Ray Speth
0fd5f14288 [SCons] Rename 'cython' test suite to 'python' 
Since the old Python module is gone, we don't need this one to have a different
name.
 2014-11-01 00:13:41 +00:00
Ray Speth
5bc4a12e2e Add options for handling Species containing undefined elements 2014-10-17 23:44:37 +00:00
Ray Speth
26b6f190f3 Introduce class Species 2014-10-17 23:44:31 +00:00
Ray Speth
53abe2ee9a [Thermo] Always use GeneralSpeciesThermo 
The specialized SpeciesThermo derived types offer no performance benefit now
that GeneralSpeciesThermo manages calculation of the temperature terms
efficiently.
 2014-10-15 02:03:06 +00:00
Ray Speth
5cb1d6b338 [Test] Add some SpeciesThermoInterpType tests 2014-10-15 02:03:03 +00:00
Ray Speth
044235c065 [SCons] Remove unnecessary uses of pjoin 2014-10-08 16:54:49 +00:00
Ray Speth
0db18ad0b1 [SCons/Test] Re-run tests if shared library changes 2014-10-08 16:54:39 +00:00
Ray Speth
6d4271fdfe [Test] Improve visibility of total test suite failures 
Treat crashes when running the GTest test programs and the Python test suite as
being more severe than individual test failures.
 2014-10-03 22:15:06 +00:00
Ray Speth
ceeaaecae7 [Test] fix some size_t warnings 2014-10-03 01:45:38 +00:00
Ray Speth
23921c7889 [Test] Run 'appdelete' at end of GTest tests 
This makes it easier to find memory leaks when using Valgrind by suppressing
false positives associated with data cached by Cantera.
 2014-10-01 17:52:28 +00:00