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619 commits

Author SHA1 Message Date
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
ca3a09a3d4 Add setuptools directories to python_minimal .gitignore 2015-08-02 23:06:16 -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
Bryan W. Weber
0b5a46fe03 Remove execute bit from files that don't need it 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
Thomas Fiala
b7f2451f06 [Doc] Improve documentation for reactor networks and add more examples 
Resolves #281
 2015-07-07 19:48:15 -04:00
Ray Speth
ce21b08d41 [Python] Document ThermoPhase DP, DPX, and DPY properties 2015-07-03 00:14:35 -04:00
Ray Speth
07f25621f3 [SCons] Fix include order when compiling Cython module 2015-07-01 12:24:49 -04:00
Ray Speth
94316d8416 [Python/Examples] Demonstrate a non-trivial velocity function 
This shows how the velocity function can be used to implement a wall where the
expansion rate coefficient is a function of time.

Also extend the integration interval for this example to actually demonstrate
ignition of both mixtures.
 2015-06-24 15:20:00 -04:00
Ray Speth
140da430c0 Check for non-existent species in setMass/MoleFractionsByName 2015-06-24 13:05:28 -04:00
Ray Speth
4efad93a6d [Kinetics] Fix handling of integral, explicit reaction orders 
If any of the reaction orders differ from the corresponding stoichiometric
coefficients, the reaction needs to be handled as the general case, instead of
just when the orders are non-integral.
 2015-06-22 11:56:56 -04:00
Ray Speth
1d7104a96b Fix race condition when Python 2 and Python 3 tests run in parallel 2015-06-19 14:23:45 -04:00
Ray Speth
f6f868fe28 [Reactor] Check for Reactor contents before installing FlowDevice 
Fixes #279.
 2015-06-18 14:37:54 -04:00
Ray Speth
c0fa589b8c [Reactor] Fix segfaults in updateMassFlowRate due to unset parameters 
The downstream and upstream Reactors, the "master" flow controller, and the
coefficient arrays were being read without checking that they had been
initialized.

Fixes #278.
 2015-06-18 12:18:59 -04:00
Kyle Niemeyer
cd545af5ed [Python/Thermo] Added functions for getting species thermo parameters 
Resolves #275; Closes #276; Closes #277
 2015-06-17 22:57:51 -04:00
Bryan W. Weber
60827267b7 Add MATLAB interface to the setState_RP function 2015-06-15 17:47:37 -04:00
Bryan W. Weber
0b92ef20e5 Add the missing getters to the Python tests 2015-06-15 17:47:37 -04:00
Bryan W. Weber
20455056f8 Add Python interface for setState_RP + tests 2015-06-15 17:47:37 -04:00
Ray Speth
2f7e05040c [ck2cti] Improve handling of single T-range thermo data 2015-06-15 16:47:54 -04:00
Ray Speth
b25167e4b9 [ck2cti] Print the current thermo entry when an error is encountered 2015-06-15 16:26:41 -04:00
Ray Speth
8d4e9bff6e [Reactor] Make argument to ReactorNet.step optional and deprecated 
The value of this argument has almost no effect on the integrator, and
frequently confuses users since the ReactorNet can end up at a time either
greater or less than the specified time. By removing this argument, the
distinction betwen step() and advance(t) becomes much more clear.
 2015-06-11 14:03:20 -04:00
Ray Speth
392b0f5692 [Reactor] Do not use argument to step/advance to set the max time step 
Allow CVODES to take arbitrarily large timesteps by default. If a maximum time
step is desired, it can be set explicitly.
 2015-06-11 14:03:20 -04:00
Ray Speth
835b81a6f8 [MixMaster] Display more useful error messages 
Include the full text of the original exception, and print this to the terminal
as well.
 2015-06-02 11:05:35 -04:00
Ray Speth
a677409283 [MixMaster] Fix displaying of errors when using Python 2 2015-06-02 11:05:35 -04:00