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Author SHA1 Message Date
Ray Speth
9d851a5bf8 [SCons] Add names of all failing tests to the test summary 2013-05-31 15:56:28 +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
4743abbe2b [Cython/Doc] Add summary of changes to Python module syntax 2013-05-31 15:56:20 +00:00
Ray Speth
8292de3ee8 [Python] Add deprecation warnings for the old Python module 
The old Python module will be removed after releasing Cantera 2.1.
 2013-05-31 15:56:16 +00:00
Ray Speth
f8ac8ea7c3 Remove the DEPRECATED macro 
This macro was not a reliable way of marking deprecated features. Future
deprecation warnings will be issued at runtime using the warn_deprecated
function.
 2013-05-31 15:56:11 +00:00
Ray Speth
c1cfdffccc Add "warn_deprecated" function 
This function can be used for issuing runtime deprecation warnings
 2013-05-31 15:56:06 +00:00
Ray Speth
f90d136232 [Doc] Add content from tut[1-4].py to the Sphinx documentation 
Update the tutorials to follow the Cython module's syntax
 2013-05-31 15:56:01 +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
e059b5c60c Eliminate unnecessary use of reinterpret_cast 2013-05-31 15:55:48 +00:00
Ray Speth
e43a4a8b3c Remove unnecessary "APPROACH" macro 2013-05-31 15:55:43 +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
1ed172a4d4 [Kinetics] Lazy evaluation of temperature-dependent terms in rate expression 
This interacts well with the new formulations for the Reactor governing
equations where T is an independent variable, which means that the
temperature-dependent terms do not need to be updated when computing the
Jacobian terms involving derivative with respect to composition.
 2013-05-29 00:11:52 +00:00
Ray Speth
cfb98e6770 [Test] Added tests of selective / lazy rate expression evaluation 2013-05-29 00:11:47 +00:00
Ray Speth
190c4bf8ce Cleaned up Doxygen documentation in other "numerics" classes 2013-05-29 00:11:40 +00:00
Ray Speth
eadf4e3fdd Cleaned up Doxygen documentation for Sundials wrapper classes 2013-05-29 00:11:32 +00:00
Ray Speth
7b2484dfa8 [Doc] Updated Doxygen config file to eliminate some warnings 2013-05-29 00:11:28 +00:00
Ray Speth
e9daef3313 Cleaned up Doxygen Documentation for matrix classes 
BandMatrix, DenseMatrix, SquareMatrix, and GeneralMatrix
 2013-05-29 00:11:22 +00:00
Ray Speth
7e8276809f Cleaned up Doxygen documentation for class BEulerInt 2013-05-29 00:11:17 +00:00
Ray Speth
0dba3d47a6 [Reactor] Converted ConstPressureReactor to (m,T,Yk) as independent variables 
Parallels the change of independent variables for Reactor introduced in r2295.
 2013-05-29 00:11:12 +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
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
a59309e81e [Reactor] Independent variables for Reactor are now T,V, and Yk 
This formulation for the reactor's governing equations significantly improves
the performance of integrator, mostly by improving the quality of the
Jacobian. The effect is small for smaller mechanisms (GRI 3.0) but can lead to
order-of-magnitude improvements for mechanisms with hundreds or thousands of
species.

Since this set of variables corresponds to the intrinsic state variables used
for IdealGasPhase objects, we also eliminate the need to iterate when setting
the state of the thermo object.

Additionally, by using temperature as an independent variable, the
temperature-dependent parts of the kinetic rate expressions do not need to be
recomputed while updating the Jacobian (this optimization is not currently
implemented).
 2013-05-23 19:33:16 +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
85b763538c [Python] Fixed creation of PressureController objects 2013-05-08 15:47:37 +00:00
Ray Speth
3850e0329d Fix preprocessor directives so that AssertFinite is always defined 
It is a no-op when "NDEBUG" is defined.
 2013-05-07 19:36:54 +00:00
Ray Speth
e940a96a98 [Matlab] Fixed integration failure in surfreactor example 2013-05-06 20:06:01 +00:00
Ray Speth
2e26abd4f9 [Kinetics] Fixed a NaN result in falloff reaction rates 
A NaN result could be caused by an underflow in the high-pressure rate
expression.
 2013-05-06 20:05:57 +00:00
Ray Speth
259ceaa9a6 Added assertions to check that some variables remain finite 2013-05-06 20:05:53 +00:00
Ray Speth
47598a197f Removed mdp_allo.h and mdp_allo.cpp from Cantera proper 2013-04-29 18:05:35 +00:00
Ray Speth
09def59948 Eliminated use of mdp functions in BEulerInt 2013-04-29 18:05:31 +00:00
Ray Speth
5205a7a530 Eliminated use of mdp functions in NonlinearSolver 2013-04-29 18:05:27 +00:00
Ray Speth
2c58b7237a Moved the "checkFinite" function into the Cantera namespace 2013-04-29 18:05:22 +00:00
Ray Speth
1d40085abc Updated coverage stats to show info on files that were not tested 2013-04-29 18:05:18 +00:00
Ray Speth
61917052d4 Removed unnecessary use of mdp_copy_dbl_1 from ThermoPhase 2013-04-29 18:05:14 +00:00
Ray Speth
7d79b30c27 Removed unnecessary MIN and MAX macros 2013-04-29 18:05:10 +00:00