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Author SHA1 Message Date
Ray Speth
de8348ecb2 [1D] Use a better default initial grid for FreeFlame 
This initial grid is designed to work well with how the initial profile and
temperature fixed point are set. The only parameter that needs to be
user-specified is the width of the domain.
 2016-03-25 12:21:19 -04:00
Ray Speth
7484827f2b [1D] Modify fixed temperature selection to keep grid more uniform 
The previous method for setting the fixed temperature point could add a point
very close to an existing grid point, which could then make convergence on the
initial grid difficult.
 2016-03-25 12:21:19 -04:00
Ray Speth
ac246a2f97 [Doc] Argument for Falloff parameters is 'params' not 'coeffs' 
Resolves #327
 2016-03-23 11:52:04 -04:00
imitrichev
a68cdecd94 [Test] Add test for specifying non-reactant orders in CTI files 2016-02-27 14:14:51 -05:00
imitrichev
7e71645efb [CTI/CTML] Add 'nonreactant_orders' option to allow non-reactant orders 
The flag 'allow_nonreactant_orders' in class Reaction is set to 'true' when
using this option in cti/ctml.

Resolves #317
Resolves #321
 2016-02-27 14:10:35 -05:00
Bryan W. Weber
58551b4813 [Doc] Cantera supports Python 3.5 2016-02-06 07:44:09 -05:00
Ray Speth
51e0c9158a [Python/1D] Generalize initial profile generation for diffusion flames 
The calculation of the stoichiometric mixture composition now works for
arbitrary fuel and oxidizer mixtures, including multi-component fuels and fuels
containing oxygen. In addition, it is not necessary to specify any additional
arguments when generating the initial profile.
 2016-02-02 15:03:11 -05:00
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
bff8d10609 [Matlab] Add interface to the new PureFluid property pairs 2016-01-25 13:14:50 -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
Bryan W. Weber
82d4b50bef [Doc] Fix warnings in Sphinx/Matlab docs 2015-12-27 16:50:18 -05:00
Bryan W. Weber
ee9d5750a3 [Matlab] Add missing PureFluid constructors for fluids defined in liquidvapor.xml 2015-12-26 14:54:37 -05:00
Bryan W. Weber
cf49649dd8 [Matlab] Move lowercase air.m to uppercase Air.m to be consistent with the other PureFluid functions 2015-12-26 14:49:47 -05:00
Bryan W. Weber
9977fd6f49 [Matlab] Switch PureFluids to use liquidvapor xml file 2015-12-26 14:45:56 -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
Steven DeCaluwe
14864e840b Extend NoNorm option for setCoverages to the Matlab toolbox 
Because normalizing the species coverages leads to incorrect Jacobian
calculations, it is sometimes necessary to not normalize the coverages.
As for bulk species mass/mole fractions, this option is currently only
available when passing the coverages as a vector (i.e., not available
for string identifiers).
 2015-11-07 21:14:03 -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
Bryan W. Weber
0be9e7eef7 [Matlab] Fix spacing in private functions 2015-10-24 08:05:52 -04:00
Bryan W. Weber
0b5c97ad4f [Doc] Correct docs for setState_*sat in Matlab 
Correct the documentation to clarify that a vector must be passed in to
these functions, not a single value.
 2015-10-24 08:05:45 -04:00
Bryan W. Weber
5aabfe9704 [Matlab] Fix setState_sat*.m functions 
Fix the setState_satLiquid and setState_satVapor functions so that they call the main set
method instead of the underlying C++ layer. Resolves #299.
 2015-10-24 07:56:10 -04:00
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