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166 commits

Author SHA1 Message Date
Ray Speth
c76ddefa5f Fix spelling errors 2013-07-26 21:33:50 +00:00
Ray Speth
6fbf5d35ed [Cython] Make critial / saturation properties available for all phase types 
Any ThermoPhase class which overrides the appropriate methods will work,
and classes that don't will raise an exception.
 2013-07-23 15:31:09 +00:00
Ray Speth
4d406f2ff4 [Doc] Update compilation instructions related to Cython module 2013-07-23 15:30:53 +00:00
Ray Speth
fa1d9e1ca9 [Cython] Use scipy when necessary to support older Python versions 
Fixes an incompatibility with Python 2.6 and 3.1. Scipy is not
required when using Python 2.7 or 3.2+.
 2013-07-23 15:30:51 +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
0fddd6a129 [Thermo] Fix errors in setState_SPorSV 
This corrects the behavior in cases where the correct temperature is below the
nominal minimum temperature for the phase.

Add test cases for this and analogous cases for the maximum temperature and
setState_HPorUV.

Fixes Issue 151.
 2013-07-18 19:07:14 +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
5d6a97f89a [Cython/Examples] Update to use IdealGasReactor 2013-07-16 22:09:55 +00:00
Ray Speth
a616d4f55f [Test] Fix dependencies so Cython tests run after rebuilding 2013-07-16 22:09:53 +00:00
Ray Speth
8a232abc71 [Reactor] Add optimized IdealGasConstPressureReactor class 
Like IdealGasReactor, this formulation uses the temperature as a state variable
to improve performance for the common use case of reactors containing ideal gas
mixtures.
 2013-07-16 22:09:46 +00:00
Ray Speth
785d4f058e [Reactor] Add optimized IdealGasReactor class 
This formulation of the reactor governing equations, with temperature as a state
variable, works better for ideal gas mixtures. This way, most of the Jacobian
components are derivatives at constant temperature, eliminating the need to
recompute the temperature-dependent part of the rate expressions when computing
these entries.
 2013-07-16 22:09:40 +00:00
Ray Speth
c89b7f1c93 [Reactor] Change formulation of Reactor to support non-ideal phases 
Expanding the time derivative of the total internal energy only works for ideal
phases, so for the more general case it is necessary to keep the internal energy
as the state variable and use an iterative method for setting the state.
 2013-07-16 22:09:37 +00:00
Ray Speth
77ccab92bd [Kinetics] Implement evaluation of "chemically activated" reaction rates 2013-07-06 21:44:02 +00:00
Ray Speth
1cec7cc051 [Cython] Fix a couple cases where exceptions could escape 2013-07-06 21:43:58 +00:00
Ray Speth
3e4c944416 [1D] Simplify interface for setting tolerances 2013-06-24 15:22:38 +00:00
Ray Speth
58d6917fe4 [Cython] Patch distutils to prevent overwriting of build-lib 
This bug in distutils prevented building the MSI installer on Windows.
 2013-06-24 15:21:25 +00:00
Ray Speth
4591159cd9 [SCons] Install script for running MixMaster with new Python module 2013-06-21 20:59:00 +00:00
Ray Speth
70178cee04 [MixMaster] Use the Cython-based Cantera API 2013-06-21 20:58:52 +00:00
Ray Speth
0a56f3286f [MixMaster] Make compatible with Python 3 
This also retains Python 2 support.
 2013-06-21 20:58:35 +00:00
Ray Speth
440bf4a8d1 Add current version of MixMaster to the Cython package 
Note that this currently doesn't work at all, due to both Python 3 compatibility
issues as well as the changes to the Cantera Python API
 2013-06-21 20:58:22 +00:00
Ray Speth
84aaec1417 [Cython] Install ck2cti.py and wrapper script 2013-06-21 20:58:15 +00:00
Ray Speth
39adabb820 [Cython] Fix a bug writing graphviz input files 2013-06-21 20:58:11 +00:00
Ray Speth
9740980c5d Deprecate class GRI_30_Kinetics 2013-06-13 22:50:14 +00:00
Ray Speth
9e9fe849bc Install ctml_writer with Cython module 2013-06-08 02:01:18 +00:00
Ray Speth
39770d6a48 [Cython] Fix Python 3 compatibility issue 2013-06-05 03:08:59 +00:00
Ray Speth
e667978655 [Cython] Allow setting state while holding specific properties constant 
The value "None" is used to indicate the property or properties being held
constant.
 2013-05-31 15:56:36 +00:00
Ray Speth
8ab5b27121 [Cython] Check property setters for the correct number of arguments 2013-05-31 15:56:25 +00:00
Ray Speth
0b00122062 [Cython] Add support for setting state using entropy + specifc volume 2013-05-31 15:55:57 +00:00
Ray Speth
81b8845b8e [Cython] Fix memory leaks in Wall and ReactorNet 
The underlying C++ objects were not being deleted in the destructors for the
Python objects. Moving them to be non-pointer members of the Python wrapper
classes fixes this problem.
 2013-05-31 15:55:53 +00:00
Ray Speth
68aa5da406 [Cython] Translated an example showing how to make a reaction path diagram 2013-05-29 00:12:07 +00:00
Ray Speth
6c87237b66 [Test] Added a test of the Graphviz reaction path diagram output 2013-05-29 00:12:03 +00:00
Ray Speth
1352a67e1c [Cython] Added interface for ReactionPathDiagram 2013-05-29 00:11:57 +00:00
Ray Speth
cfb98e6770 [Test] Added tests of selective / lazy rate expression evaluation 2013-05-29 00:11:47 +00:00
Ray Speth
59af72fb51 [Test/Reactor] Added tests for ConstPressureReactor 2013-05-29 00:11:08 +00:00
Ray Speth
574bad76af [Cython] Fixed premature garbage collection of Reactor objects 2013-05-29 00:11:03 +00:00
Ray Speth
62dfdcfb01 [Cython] Added access to the "id" property of ThermoPhase objects 2013-05-29 00:10:58 +00:00
Ray Speth
9631f44d29 [Python] Fixed some more incompatibilities with Python 2.6 2013-05-24 20:14:14 +00:00
Ray Speth
982f9af20c [Test/Reactor] Fixed test of sensitivity coefficients 2013-05-24 17:47:29 +00:00
Ray Speth
0ee8ac54fd [Reactor/Test] Added some additional checks 2013-05-23 19:33:07 +00:00
Ray Speth
d1b9d3e6ad [Test] Disabled a test that requires a feature missing from the old CVODE 2013-05-23 19:33:02 +00:00
Ray Speth
38cf1b9fec [Test] Adjusted tolerances on some Reactor tests 
test tolerance adjustment
 2013-05-23 19:32:58 +00:00
Ray Speth
ac7b36f003 [Test] Fixed an error that produced confusing error messages 2013-05-23 19:32:54 +00:00
Ray Speth
02e7df2c14 [Reactor/Test] Added tests for a well-stirred reactor ignition problem 2013-05-23 19:32:50 +00:00
Ray Speth
376c23f1bc [Reactor/Test] Made sensitivitiy tests somewhat more general 2013-05-23 19:32:46 +00:00
Ray Speth
5243fa9cb0 [Reactor/Test] Added additional checks to TestReactor.test_valve3 2013-05-23 19:32:36 +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
57685799ad [Cython] Added interface to Reactor.component_index 2013-05-23 19:32:25 +00:00
Ray Speth
302ebb2c7e [1D] Save and restore energy_enabled and species_enabled flags 2013-03-07 18:51:33 +00:00
Ray Speth
557078229f [1D] Save and restore solver tolerances 2013-03-07 18:51:31 +00:00