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474 commits

Author SHA1 Message Date
Ray Speth
e07b7b22dc [1D] Make diffusion flame profile generation work with lowercase 'o2' 2016-01-29 18:19:13 -05:00
Ray Speth
4379a076ab [Python] Print values which cause exceptions in the error message 2016-01-29 16:36:54 -05:00
Ivan Mitrichev
c3d154fd72 [ctml] fix molecular geometry (nonlin -> nonlinear) 
Fix list of allowed values. Remove incorrect default value.

Resolves #316.
 2016-01-29 16:30:40 -05:00
Bryan W. Weber
71e2101cdf [Test] Add tests for new PureFluid property pairs 2016-01-25 13:14:50 -05:00
Bryan W. Weber
4220692d0d Whitespace fixup in test_purefluid.py 2016-01-25 13:14:50 -05:00
Bryan W. Weber
49cb039536 [Cython] Add interface for new PureFluid property pairs 2016-01-25 13:07:34 -05:00
Bryan W. Weber
af81729504 [Cython] Add units to PureFluid property docstrings 2016-01-25 13:07:34 -05:00
Ray Speth
efd6d232c7 [Cython] Fix conversion of element-related strings to Python strings 2016-01-24 23:27:39 -05:00
Bryan W. Weber
c72f1b607a [Test] Add test for elements with multiple matches depending on old string splitting method 2016-01-22 18:18:43 -05:00
Bryan W. Weber
f95f118515 Make the name of an element in Python always lowercase 2016-01-22 18:18:43 -05:00
Bryan W. Weber
b351c624da [Test] Add tests for new Element class and functions 2016-01-22 18:18:43 -05:00
Bryan W. Weber
ba8c906cd8 [Cython] Add interface to new Element information functions 2016-01-22 18:18:43 -05:00
Ray Speth
59f8fbc09d [Test] Relax tolerances on SOFC regression test 
Test was failing with MinGW
 2015-11-23 16:53:20 -05:00
Ray Speth
b4a1fb2db1 [SCons/Numerics] Use ext/sundials if system Sundials not installed 2015-11-23 16:53:20 -05:00
Ray Speth
03db1d3942 [SCons] Fix installation location for Python module location on OS X 
Fixes #296
 2015-11-13 20:51:16 -05:00
Ray Speth
48c6c6b8ad [Python] Fix full-state (e.g. TPX) properties of PureFluid 
The implementations which come from ThermoPhase expect "X" to mean mole
fractions, but for PureFluid "X" means vapor fraction. No setter is provided
since all three properties cannot be specified simultaneously.

Resolves #307
 2015-11-12 18:20:31 -05:00
Ray Speth
ac9dfa055c [Thermo] Synchronize Mixture/Multiphase state before printing report 
Do not assume that the states of the individual ThermoPhase objects still
correspond to the state of the mixture object. See #306.
 2015-11-12 12:42:35 -05:00
Thomas Fiala
de133f1a3d [Reactor] Divide residuals by sqrt(n_vars) in advance_to_steady_state 2015-11-03 15:46:07 -05:00
Thomas Fiala
304364c203 [Reactor] Add documentation for advance_to_steady_state 
Also, update tutorials to use this feature.
 2015-11-03 15:46:07 -05:00
Thomas Fiala
57e3ee8c1a [Reactor] Implement the Cython function advance_to_steady_state 
Resolves #95
Resolves #303
 2015-11-03 15:41:58 -05:00
Thomas Fiala
16ab7dff51 [Reactor] Implement functions getState for reactors and reactor networks 
These are simpler forms of getInitialConditions.
 2015-11-03 14:34:28 -05:00
Ray Speth
f335350c35 Always use std::shared_ptr 
Since we compile as c++11, std::shared_ptr is guaranteed to exist.
 2015-10-14 18:45:23 -04:00
Ray Speth
1f1f14b523 Fix MinGW compilation error in C++11 mode 2015-10-14 18:45:22 -04:00
Ray Speth
8591a7ee5c [Python] Fix handling of bad input to 'stringify' 
Cases where a string is required but a non-string is provided will now generate
an exception instead of substituting the empty string.
 2015-10-14 12:58:08 -04:00
Ray Speth
3914ede44a [Test/Python] Fix warnings about unclosed files 2015-10-07 12:59:46 -04:00
Ray Speth
58110351af [Test] Fix deprecation warnings in Python tests 
This also fixes support for Numpy 1.10, which removes the 'skiprows' keyword.
 2015-10-07 12:59:27 -04:00
Ray Speth
5926d2db7c [ck2cti] Handle reactions containing 'hv' pseudospecies 
Convert to an irreversible reaction and ignore the photon.
 2015-10-05 14:59:35 -04:00
Ray Speth
b38a9332e2 Treat duplicate keys in composition strings as errors 
For example, 'H2:0.5, O2:0.5, H2:0.1', which would previously have been treated
as equivalent to 'O2:0.5, H2:0.1'.
 2015-10-05 13:02:16 -04:00
Ray Speth
67172cd478 [Test] Disable problematic test with old CVODE 2015-09-08 12:26:55 -04:00
Ray Speth
a77b79b00c [Python] Check for compatibility before adding Quantities 2015-08-24 17:31:04 -04:00
Ray Speth
25b1dc90f2 [Python] Set default constant property pair in Quantity.equilibrate 2015-08-24 17:31:04 -04:00
Ray Speth
8299646059 [Python] Add example demonstrating use of class Quantity 2015-08-24 17:31:04 -04:00
Ray Speth
032537710f [Python] Quantity.equilibrate updates the Quantity's state 2015-08-24 17:31:04 -04:00
Ray Speth
d559af9d38 [Python] Add docs for class Quantity 2015-08-24 17:31:04 -04:00
Ray Speth
94f94dd0e6 [Python] Basic implementation of class Quantity 2015-08-24 17:31:04 -04:00
Ray Speth
2b7bcf2b3e [Python] Prevent renaming of Python extension module 
In Cygwin, some versions of SCons append a 'cyg' prefix to DLL names, which
breaks the Python extension module that is supposed to be named just
'_cantera.dll'.
 2015-08-13 22:22:33 -04:00
Ray Speth
78412b3d72 Increase number of points used in multiprocessing example 
This helps average out some performance variability to make the effect of
multiprocessing more clear.
 2015-08-03 23:15:07 -04:00
Ray Speth
6514f7a8e1 Fix multiprocessing example when using Python 3 
In Python 3, 'map' returns an object which evalutes the function as it is
consumed, not when 'map' is called. Therefore, the correct comparison to
pool.map(...) is list(map(...)).
 2015-08-03 23:00:54 -04:00
Ray Speth
7ca9327f7d Fix multiprocessing example to actually get the indicated property 2015-08-03 22:57:03 -04:00
Bryan W. Weber
1174de9232 Reformat Cython setup.py.in and add metadata 
Conform to 4 space tabs. Add classifiers about Cantera. Add long
description.
 2015-08-02 23:06:16 -04:00
Bryan W. Weber
b979cea3d2 Switch Cython and python interfaces to setuptools 
Replace distutils with setuptools in the Cython and python_minimal
interfaces. Add console_scripts option to generate OS specific scripts to run
ck2cti, mixmaster, and ctml_writer

Remove script files that are obsoleted by console_scripts from
setuptools. Remove installation of the script modules from SConstruct.

Fix Python installers so that when a prefix directory is specified on the
command line, setuptools doesn't throw an error. The setuptools documentation at
[1] prefers setting PYTHONUSERBASE rather than PYTHONPATH. Use normpath to avoid
bugs in setuptools on Windows [2].  Specify an empty "--prefix" if the compiler
is clang to fix a bug with Homebrew Python on Mac OSX [3].

[1]: https://pythonhosted.org/setuptools/easy_install.html#custom-installation-locations
[2]: http://stackoverflow.com/q/31629398
[3]: https://github.com/Homebrew/homebrew-python/issues/187
 2015-08-02 23:06:16 -04:00
Bryan W. Weber
5f8bd40c0d Add functions to main scripts to be entry_points 
Add functions to ck2cti, ctml_writer, and a new file __main__.py to
mixmaster to be the entry_points locations that setuptools scripts
will call.
 2015-08-02 23:06:16 -04:00
Bryan W. Weber
c6ccffe44f Move imports in ck2cti to the top of the file 2015-08-02 23:06:16 -04:00
Bryan W. Weber
eb2df78260 Fix syntax error in a Python example 2015-08-02 23:06:16 -04:00
Ray Speth
f90bf978df Use += and -= where appropriate 2015-08-02 23:06:15 -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
e8292d387e Fix definition of elemental mole fraction 
The elemental mole fractions should be invariant under composition changes which
conserve atoms.
 2015-07-16 10:41:39 -04:00
Ray Speth
f1f10b6526 Remove unused, deprecated code marked for removal after Cantera 2.2 2015-07-15 12:08:50 -04:00
Ray Speth
546289f737 Remove deprecated code with functional alternatives 2015-07-13 18:59:09 -04:00
Ray Speth
7d36e1eb13 [Python/1D] Fix FlameBase.write_csv 
Also add a test for this method
 2015-07-08 23:57:22 -04:00