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539 commits

Author SHA1 Message Date
Ray Speth
0440e3fcf1 [Python/Examples] Update adiabatic.py to use features of the Cython module 2014-07-30 16:59:27 +00:00
Ray Speth
4236c97259 [Test] Add multiphase equilibrium tests based on 'adiabatic.py' example 2014-07-30 16:59:23 +00:00
Ray Speth
03a4f63729 [Cython] Use __slots__ to prevent accidental invalid attribute assignment 2014-07-30 16:59:17 +00:00
Ray Speth
c8bb3a0c52 [Cython] Fix some tests that weren't actually working correctly 
These tests were setting values to incorrectly named properties,
so they weren't actually testing the functionality that they should
have been.
 2014-07-30 16:59:14 +00:00
Ray Speth
dc31982a2b [MixMaster] Remove broken/orphaned gri30.py 2014-07-30 16:59:07 +00:00
Ray Speth
063c2a261a Eliminate redundancy between get_XML_File and get_CTML_Tree 
get_CTML_Tree and getCtmlTree are now deprecated in favor of get_XML_File
 2014-07-30 16:58:55 +00:00
Ray Speth
4f3dd0624f [SCons] Fix build errors when path to Python contains spaces 2014-07-25 18:32:54 +00:00
Ray Speth
6867381781 [CTI] Document options for controlling mechanism validation 
Add documentation for the validate() function, and remove documentation
for the non-existent 'no_validation' flag.
 2014-07-25 18:32:39 +00:00
Ray Speth
8f4ab714ac [Samples] Modify surf_pfr to keep pressure constant 
The structure of this calculation previously led to an apparent increase in
pressure along the length of the reactor.  This is a good example of when to use
a PressureController.
 2014-07-25 18:32:34 +00:00
Ray Speth
bc70da4252 [Matlab] Change log level for Transport construction 2014-07-18 18:10:54 +00:00
Bryan W. Weber
ad3ac0a1ad [Matlab/Doc] Add automatically generated Contents.m to the toolbox. 2014-07-18 14:37:47 +00:00
Bryan W. Weber
c6ac27b07c [Doc/Matlab] Add documentation for all Matlab functions 2014-07-18 14:35:41 +00:00
Bryan W. Weber
0a0d5f2947 [Matlab] Add option to specify transport modeling to @Solution constructor. Add options to specify information about @Wall on construction. Verify job number for @Domain1D 2014-07-18 14:35:28 +00:00
Bryan W. Weber
6cd78c0233 [Matlab] Move @Solution/soundspeed.m and set.m to @ThermoPhase. Delete duplicated 1D/nComponents.m method 2014-07-18 14:35:15 +00:00
Bryan W. Weber
a8304e146e [Matlab] Fix small bugs. Add clear method to Transport, qdot and vdot to Wall. 2014-07-18 14:35:05 +00:00
Bryan W. Weber
0c1688a361 [Matlab] Switch to explicit class specific hndl functions. Deprecate generic hndl functions 2014-07-18 14:34:54 +00:00
Bryan W. Weber
519bf12faa [Matlab] Update built-in thermo imports to use Solution rather than importPhase 2014-07-18 14:34:47 +00:00
Bryan W. Weber
411f6d51a9 [Matlab] Deprecate molarMass methods in favor of molecularWeight methods to be consistent with the rest of Cantera 2014-07-18 14:34:41 +00:00
Bryan W. Weber
34274257b9 [Matlab] Remove unnecessary returns from set methods in 1D classes 2014-07-18 14:34:31 +00:00
Bryan W. Weber
b95614760a [Matlab] Remove unnecessary returns from set methods in @ThermoPhase class 2014-07-18 14:34:21 +00:00
Bryan W. Weber
ab251257e5 [Matlab] Trivial changes to variable names and whitespace for consistency 2014-07-18 14:33:09 +00:00
Bryan W. Weber
a03b7d6123 [ck2cti/test] Add test for empty reaction section in CK input file 2014-07-17 15:36:53 +00:00
Bryan W. Weber
61f10970d2 [ck2cti] Fix bug when validating converted mechanisms if the output file name is not specified to ck2cti 2014-07-16 16:15:14 +00:00
Bryan W. Weber
947a262d90 [ck2cti] Allow the case where a reaction section is specified but empty 2014-07-16 16:14:48 +00:00
Ray Speth
7af153c75f [Cython/Kinetics] stoich_coeff methods accept species by name 
reactant_stoich_coeff and product_stoich_coeff now accept either the species
name or the "kinetics species index".
 2014-07-10 22:36:28 +00:00
Ray Speth
868573080d [Python/1D] Add premixed counterflow flame configuration 2014-07-10 22:34:24 +00:00
Ray Speth
829c9b38cf [Python] Move some classes from Cython to pure Python 
The classes implementing specific flame geometries don't directly interact with
any of the underlying C++ implementation, so they can be moved out of the
compiled Cython extension. This reduces the size of the compiled extension, and
makes it easier to implement additional flame types in Python.
 2014-07-10 22:34:12 +00:00
Ray Speth
a2e3e97a1f [1D] Check that specified grid is monotonically increasing 2014-07-10 22:34:05 +00:00
Ray Speth
27e2aa16b8 [Python/1D] Allow setting Inlet mole fractions using a dict 2014-07-10 22:33:30 +00:00
Ray Speth
19e3a09980 Allow '~/' as alias for user's home directory when importing cti/xml 2014-07-10 22:33:20 +00:00
Ray Speth
d5870c4e4b [Python] Allow Func1 to accept nearly-scalar types 
This includes lists, tuples, and numpy arrays with a single element
 2014-06-20 18:45:22 +00:00
Ray Speth
8bee138553 [Kinetics] Add access to reactant and product strings 
In C++, these are the reactantString() and productString() methods.  In Python,
these are the 'reactants' and 'products' properties.

Resolves Issue 110.
 2014-06-20 18:45:17 +00:00
Ray Speth
a470502932 [Transport] Replace transport_log.xml with regular text logging 
Write plain text to the common Cantera logger to be more consistent with the
verbose/debug logging from other parts of Cantera. This simplifies several of
the transport initialization functions, and eliminates the need for class
XML_Writer.
 2014-06-20 18:44:59 +00:00
Ray Speth
7064fd1964 [Cython/Examples] Add reactor example with ODEs implemented in Python 2014-06-20 18:43:47 +00:00
Ray Speth
fc9ba22772 [Cython] Add methods for setting unnormalized mass/mole fractions 2014-06-20 18:43:42 +00:00
Ray Speth
a33eca6684 [Python/Samples] Add Peridic CSTR example to Python module 
Translated from the Matlab sample
 2014-06-16 22:01:54 +00:00
Ray Speth
fd0db67172 [Matlab/Samples] Move reactor ODE functions into samples directory 
These functions are used by some of the examples, and show how custom
reactor-like models can be implemented in Matlab. They are useful mostly as a
basis for user modifications.
 2014-06-16 22:00:41 +00:00
Ray Speth
b4826c9b9c [Matlab/Reactor] Use 'nonorm' when setting mass fractions 2014-06-16 22:00:30 +00:00
Ray Speth
8b5ca80303 [Reactor] Implement reactor network reinitialization 
Adds ReactorNet::reinitialize, which skips all one-time initialization and
re-uses the same CVODES integrator. The Reactor::syncState() method is
introduced for applying new initial conditions for individual Reactor objects.

This approach increases efficiency when solving many similar problems with short
integration times, for example when being used as the chemistry term integrator
in an operator-split CFD code.
 2014-06-10 16:23:03 +00:00
Ray Speth
2558ec222d [Test] Use 'assertIn' and 'assertNotIn' where possible 2014-06-10 16:21:01 +00:00
Ray Speth
7f83a49e07 [Test] Fix some incorrect assertions 2014-06-10 16:20:53 +00:00
Ray Speth
baa787f7ac [Test] Use context handler form for 'assertRaises' 2014-06-10 16:20:31 +00:00
Ray Speth
be9882a765 [ck2cti] Import the resulting mechanism to complete validation 
This relaxes the need to perform redundant validation in ck2cti.
 2014-06-06 00:18:18 +00:00
Ray Speth
c29ae666c0 [CTI] Allow non-integer atomicity 
This allows specification of lumped species with average compositions,
such as C10.6H21.8.
 2014-06-06 00:18:13 +00:00
Ray Speth
a583949457 [Reactor] ReactorNet::addReactor takes a reference instead of a pointer 
This reflects how the function is usually used. The old signature is now
deprecated, as is the extra argument for transfering "ownership" to the
ReactorNet object.
 2014-06-06 00:17:41 +00:00
Ray Speth
ea3f74eb27 [Thermo] 'report' only prints species with non-trivial mole fractions 
The threshold for printing species is a new, optional parameter to the
'report' function. If any species are excluded, the total number of
minor species and their aggregate mass and mole fraction are printed.
 2014-06-03 16:54:15 +00:00
Ray Speth
0e9ca0fc4b [Reactor] Eliminate tracking of Reservoirs by ReactorNet 
Since Reservoirs don't have any equations to solve, there is no reason to add
them to a ReactorNet.
 2014-06-03 16:52:00 +00:00
Ray Speth
3e3557e756 [Test] Add more tests of the VCS equilibrium solver 
These tests are based on the 'plasma_equilibrium.py' example, and include
a fairly large number of phases, some of which are only present for certain
temperature ranges.
 2014-05-27 02:54:02 +00:00
Ray Speth
217b396ec5 [Python] Fix to conversion of samples from Python 3 to Python 2 
Some calls to the print function weren't being converted to print statements
correctly by 3to2, so now we use the alternative fix, which is to use the
backported print function.

Fixes Issue 216.
 2014-05-23 22:46:59 +00:00
Ray Speth
2df0396879 [ck2cti] Relax formatting requirement for Chebyshev coefficients. 
Allow coefficient data to begin on the same line as the declaration of the
order of the polynomial in each dimension.

Fixes Issue 219.
 2014-05-07 21:57:34 +00:00