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Author SHA1 Message Date
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
f4041d6fb2 [Doc] Add the ability to pseudo-autodocument MATLAB code to the SConscript file 2014-07-18 14:32:53 +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
47b8c49aed [Doc] Fix names of the physical constants in the Cython documentation 2014-07-16 16:15:21 +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
d46bc31d2c Simplify SolveSP printing functions 
Remove unused arguments. Merge printIteration and PrintFinal.
 2014-07-10 22:36:54 +00:00
Ray Speth
45f6e84ebf Improved error messages that just reported 'confused' 2014-07-10 22:36:43 +00:00
Ray Speth
5ebdb7e924 Use execeptions to simplify usage of ElemRearrange 2014-07-10 22:36:36 +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
bd14358a68 [1D] Remove empty overrides of Domain1D::_finalize 2014-07-10 22:36:06 +00:00
Ray Speth
c4beab316f Remove unnecessary class forward declarations 2014-07-10 22:34:44 +00:00
Ray Speth
040958a5f5 Add some deprecation warnings 2014-07-10 22:34:33 +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
c7e2f5fcbc [Doc] Add recommended citation for Cantera 2014-07-10 22:33:25 +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
284c0d0345 Remove unimplemented 'potentialEnergy' methods from IdealMolalSoln 2014-06-20 18:44:53 +00:00
Ray Speth
3349a28d38 Update some deprecation warnings. 2014-06-20 18:44:39 +00:00
Ray Speth
e778afad32 Remove deprecated functions 2014-06-20 18:44:33 +00:00
Ray Speth
63dd02073c [Doc] Fix a few Doxygen warnings 2014-06-20 18:44:23 +00:00
Ray Speth
147d630f48 [Doc] Remove references to nonexistent source file 'importCTML.cpp' 2014-06-20 18:43:51 +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
dd297256ff [Matlab/Samples] Update to use IdealGasReactor 2014-06-16 22:01:31 +00:00
Ray Speth
049c9a1960 [Matlab/Samples] Fix broken default argument checks 
There are no classes named 'GasMix' or (lowercase) 'solution', so these checks
would always fail and the input argument would always be silently ignored.
 2014-06-16 22:01:13 +00:00
Ray Speth
6c3fdb7963 [Matlab/Samples] Remove duplicate examples 
'ignite2.m' was essentially a duplicate of 'ignite.m'
'ignite3.m' was essentially a duplicate of 'ignite_uv.m'
 2014-06-16 22:00:46 +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
01987b4438 [Thermo] Implement missing SurfPhase functions 
Adding the entropy_mole, cp_mole, and cv_mole functions fixes the silent failure
of the report() function for surface phases.
 2014-06-16 22:00:25 +00:00
Ray Speth
6ffbaa5f77 [Reactor] Remove unneeded variables from ReactorBase 2014-06-10 16:23:43 +00:00
Ray Speth
48101ea1f4 [Reactor] Remove unneeded functions from ReactorBase 2014-06-10 16:23:24 +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
1437aade8c [Reactor] Refactor updateState and getInitialConditions implementations 
Extract common parts related to surface species
 2014-06-10 16:22:46 +00:00
Ray Speth
67de2fa793 [Reactor] Refactor re-implementations of Reactor::initialize 
The base class methods does almost all the initialization needed for the derived
classes, so call that first and then do any additional steps needed.
 2014-06-10 16:22:37 +00:00
Ray Speth
0da063cdef [Reactor] Refactor wall / surface chemistry evaluation 
This creates a single implementation of the calculation of the contributions of
walls and surface chemistry to the governing equations for all reactor types.
 2014-06-10 16:21:56 +00:00
Ray Speth
54c14c3ac1 Remove orphaned 'Cantera_legacy.h' file 2014-06-10 16:21:46 +00:00
Ray Speth
2b9f3b9913 Remove unused Doxygen input files 2014-06-10 16:21:37 +00:00
Ray Speth
1ea1e705f3 Remove redundant 'NotImplemented' exception class 2014-06-10 16:21:16 +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