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4539 commits 2 branches 16 tags 37 MiB
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242 commits

Author SHA1 Message Date
Ray Speth
67240c4947 [ck2cti] Fix handling of transport comments with no preceding space 2013-06-17 14:20:38 +00:00
Ray Speth
0018acd607 [ck2cti] Fix a Python 3 incompatibility 2013-06-17 14:20:34 +00:00
Ray Speth
0f13a7159e [ck2cti] Improve performance of duplicate reaction check 
Old method was O(N^2). New method is essentially O(N).
 2013-06-17 14:20:26 +00:00
Ray Speth
7eae48abba [ck2cti] Show line numbers of unmarked duplicate reactions 2013-06-17 14:20:23 +00:00
Ray Speth
f9fcfc562e [ck2cti] Permit lower case keywords in Chemkin input files 
Although the specification of the file format doesn't appear to allow lower
case keywords, many mechanisms are distributed using them.
 2013-06-17 14:20:19 +00:00
Ray Speth
e013e8b966 Add __version__ attribute to (legacy) Python module 2013-06-13 22:50:40 +00:00
Ray Speth
9740980c5d Deprecate class GRI_30_Kinetics 2013-06-13 22:50:14 +00:00
Ray Speth
1c7256e702 Make ck2cti compatible with Python 3 2013-06-08 02:01:23 +00:00
Ray Speth
9e9fe849bc Install ctml_writer with Cython module 2013-06-08 02:01:18 +00:00
Ray Speth
1cf8d9c8ea Classes in ctml_writer derive from object 2013-06-08 02:01:08 +00:00
Ray Speth
99c533c2eb Make ctml_writer compatible with Python 3 2013-06-08 02:00:59 +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
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
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
b82df1b1ea Fixed compatibility of ck2cti with Python 2.6 
re.sub doesn't accept the flags keyword argument until 2.7, but the same
effect can be achieved using re.compile.
 2013-03-13 20:20:31 +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
Ray Speth
d20476df8e [Cython/1D] Fixed setting of steady and transient tolerances 
Previously, the transient tolerances were being used to solve the steady-state
problem.
 2013-03-07 18:51:27 +00:00
Ray Speth
65fbb10bda [Cython/1D] Made 'grid' an optional parameter 
Having a default initial grid allows restoring a saved solution without creating
a dummy grid that will just be replaced by the one from XML file.
 2013-03-07 18:51:20 +00:00
Ray Speth
0314eef0f7 [Python] Fixed an error when using a reactor heat flux function 
Fixes Issue 145.

Cherry-picked from 2.0 bugfix branch.
 2013-03-05 17:04:35 +00:00
Ray Speth
b3a1e1e47c [Cython/1D] 1D solver can be interrupted by ctrl-c 
By calling a pure Python function each time OneDim::eval is called, we can
catch KeyboardInterrupt exceptions and abort the 1D solver loop, returning
control to Python.

Partially addresses Issue 93.
 2013-03-04 17:31:41 +00:00
Ray Speth
c896501f4a [Cython] fixed missing includes in Cython wrapper headers 2013-03-04 17:31:38 +00:00
Ray Speth
d4fb33c688 [Cython/1D] Completed Boundary1D mass/mole fraction property interface 
Added getter for mole fractions and setter for mass fractions. This
requires that the boundary object hold a reference to the thermo object.

Resolves Issue 143.
 2013-03-04 17:31:35 +00:00
Ray Speth
c084148b0e [SCons] Python module can be installed to user's site-packages directory 
Setting the scons options 'python_prefix=USER' or 'python3_prefix=USER' will
pass the '--user' flag to setup.py, causing the Python module to be installed to
a platform-specific directory on the user's module path.
 2013-03-04 17:31:08 +00:00
Ray Speth
372d20ce6e [Cython] setup.py no longer makes use of setuptools / distribute 
This makes it easier to install the Python package into non-standard
locations. Requires the 'cythonize' function introduced in Cython 0.17.
 2013-03-04 17:30:56 +00:00
Ray Speth
61abf3869d [Cython] Adjust solver parameters for TestFlowReactor.test_reacting 
This avoids CVODES failures that otherwise occur on some machines.
 2013-02-15 18:20:00 +00:00
Ray Speth
1bd83d80f4 [Cython] Relaxed some test tolerances 2013-02-15 17:32:28 +00:00
Ray Speth
c3d49950bd [Cython] Fixed location of data directory for unit tests 2013-02-15 17:32:24 +00:00
Ray Speth
3aa84e15e9 [Cython] Fixed a typo in TestDiffusionFlame 2013-02-15 17:31:11 +00:00