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539 commits

Author SHA1 Message Date
Ray Speth
e9b49e3bb0 Added partial molar / non-dimensional thermo properties 2012-09-06 19:57:38 +00:00
Ray Speth
b070605bec [Python] Implementing ThermoPhase properties for setting / getting state 2012-09-06 19:57:32 +00:00
Ray Speth
c41934d995 [Python] Starting on full interface to ThermoPhase member functions 2012-09-06 19:57:27 +00:00
Ray Speth
622eed7b75 Added PureFluid to the new Python module 2012-09-06 19:57:20 +00:00
Ray Speth
2bd25f52b4 Simplified setup.py for new Python module 
The removed parts are not necessary since the compiled module no
longer links to the Cantera shared library.
 2012-09-06 19:57:13 +00:00
Ray Speth
4bd19494a6 Added more tests for the new Python module 2012-09-06 19:57:07 +00:00
Ray Speth
c7570dc6c9 [Python] Outline of a strategy for wrapping classes which extend Transport 2012-09-06 19:56:58 +00:00
Ray Speth
95b75409be Include data files with the new Python module 2012-09-06 19:56:51 +00:00
Ray Speth
1758c86a3f Starting a test suite for the new Python module 2012-09-06 19:56:43 +00:00
Ray Speth
062ab1dad9 Adding parts of "oneDim" to the new Python module 2012-09-06 19:56:36 +00:00
Ray Speth
514abaa0da Added basic implementation of surface and edge phases in the Python module 2012-09-06 19:56:30 +00:00
Ray Speth
341648aa23 Added basic implementation of Reactor, ReactorNet and Wall to the Python module 2012-09-06 19:56:25 +00:00
Ray Speth
21169b3a38 [Python] Added basic implementation of Func1 and its children 2012-09-06 19:56:20 +00:00
Ray Speth
dfb18b461e Rearranging Cython module into a single shared object 
This is necessary to deal with DLL linking limitations on Windows
 2012-09-06 19:56:03 +00:00
Ray Speth
96f9b05f8c Added skeletal implementation of multiphase mixtures to new Python module 2012-09-06 19:55:50 +00:00
Ray Speth
eabb46b9e7 Added physical constants to the new Python module 2012-09-06 19:55:40 +00:00
Ray Speth
3a838018fc Use SCons to generate a customized setup.py for the new Python module 2012-09-06 19:55:34 +00:00
Ray Speth
8afc669b67 Proof-of-concept for a Python interface written using Cython 
This module is compatible with both Python 2 and Python 3. Unlike the existing
Python module, this module directly utilizes the Cantera C++ interface,
bypassing the "clib" compatibility layer, as well as all of the direct use of
the Python C API.

Currently, this contains just enough to instantiate a ThermoPhase object from an
XML input file.
 2012-09-06 19:55:25 +00:00
Ray Speth
454cfb574c Replaced assert statements in ck2cti.py 2012-08-29 18:30:55 +00:00
Ray Speth
0ebba86bc7 ck2cti.py raises an exception when transport data for some species is missing 2012-08-29 18:30:52 +00:00
Ray Speth
6f5a38a2ba ck2cti.py raises an exception when encountering duplicate transport data 2012-08-29 18:30:48 +00:00
Ray Speth
1de94e0ee1 Fixed handling of falloff reactions with specific third bodies 2012-08-28 22:36:26 +00:00
Ray Speth
d578784701 Merge bug fix from the 2.0 maintenance branch 2012-08-15 16:10:04 +00:00
Ray Speth
7ef2bb13e5 Fixed a mistake in the previous update to ck2cti.py 2012-08-15 16:05:45 +00:00
Ray Speth
021f66c755 Merge bug fixes from the 2.0 maintenance branch 2012-08-15 15:36:34 +00:00
Ray Speth
6df63270e0 Fixed an issue with printing "missing species" errors in ck2cti.py 2012-08-15 15:18:52 +00:00
Ray Speth
b26f9f4ee2 Fixed handling of rate coefficient units in ck2cti.py 
Units specified on the REACTIONS line were not being handled correctly,
causing the units(...) directive of the resulting .cti file to always have
the default units of 'cal/mol' and 'mol', but without correcting the values.
 2012-08-15 15:14:08 +00:00
Ray Speth
deea83d68b Merge bug fixes from the 2.0 maintenance branch 2012-08-02 16:07:35 +00:00
Ray Speth
1c5f7c3ed7 [Python] Fixed an error when setting the mass flow rate of a FlowReactor 2012-08-02 16:01:53 +00:00
Ray Speth
bcb79d9cd3 Convert .cti files in data/inputs to .xml as part of the buld process 
The full set of .cti and .xml files to be installed is placed in build/data (for
use by the test suite) and copied to the CANTERA_DATA folder on installation.
 2012-08-02 15:47:45 +00:00
Ray Speth
5045d2c14c Some refactoring of ck2cti.py 2012-07-26 20:50:19 +00:00
Ray Speth
c57f9b644f Conversion of Chemkin mechanisms in Python and Matlab now uses ck2cti.py 2012-07-26 20:49:37 +00:00
Ray Speth
0e21bfd0e0 Introduced a test suite for Chemkin-format mechanism conversions 2012-07-26 20:49:01 +00:00
Ray Speth
b29438eb6d ck2cti.py supports extended format for large molecule compositions 
This extension places extra elemental composition data at the end of the first
line of the thermo data. See 'soot.inp' for an example.
 2012-07-26 20:48:58 +00:00
Ray Speth
a0c4da3e44 Updated ck2cti.py to handle non-integer stoichiometric coefficients 2012-07-26 20:48:55 +00:00
Ray Speth
2b9bbddf36 ck2cti.py can now parse 9-coefficient NASA polynomials 2012-07-26 20:48:52 +00:00
Ray Speth
5c041b51cf ck2cti.py now checks for undefined elements 2012-07-26 20:48:49 +00:00
Ray Speth
d3218d4dfa ck2cti.py now preserves order of chemical elements 2012-07-26 20:48:44 +00:00
Ray Speth
27950730ef [Python] More flexible interface to Phase.selectSpecies and Phase.SelectElement 
Allow specification of a single component when extracting a single value,
instead of requiring a sequence. This in turn provides the same capability to a
number of functions which previously only accepted sequences of element or
species names.
 2012-06-22 22:36:27 +00:00
Ray Speth
ac54d63782 Fixed some documentation issues with the Python Flame classes 
Docstrings for undocumented methods of child classes are automatically copied
from the corresponding method of the parent class. This works both for
docstrings as shown in the Python interpreter as well as the Sphinx-generated
documentation.

Removed manually duplicated docstrings from setProfile(), solve() and
setRefineCriteria() methods.
 2012-06-19 16:34:16 +00:00
Ray Speth
1a22835ad4 Added support for specifying forward reaction orders in ck2cti.py 2012-06-15 21:56:56 +00:00
Ray Speth
0da94ea0c2 Added support for explicit reverse rate constants to ck2cti.py 2012-06-15 21:56:53 +00:00
Ray Speth
1a60d55135 Added support for SRI falloff parameterization to ck2cti.py 2012-06-15 21:56:49 +00:00
Ray Speth
aab72379fe Updated physical constants to be consistent with 2010 CODATA recommendations 2012-06-12 22:48:32 +00:00
Ray Speth
96114edb46 Fixed names of some executable scripts 
Also added shebang line to ctml_writer
 2012-06-05 19:56:21 +00:00
Ray Speth
7709978392 Cleanup of MixMaster/Units package 2012-06-05 19:56:10 +00:00
Ray Speth
2f9f2abf5e Fixed setting the _initialized flag on restored Python OneD objects 2012-05-30 16:02:48 +00:00
Ray Speth
bdac195cb0 Added input file documentation for Chebyshev and P-log rate expressions 2012-05-29 18:03:31 +00:00
Ray Speth
176d8ecfe0 Updated the rxnpath1.py sample 
This sample now uses a locally installed copy of Graphviz to produce an image,
instead of relying on a public 'webdot' server which no longer exists.
 2012-05-29 18:03:27 +00:00
Ray Speth
3df5c60e8f Eliminated trailing commas from some CSV files used in regression tests 2012-05-25 23:13:42 +00:00