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451 commits

Author SHA1 Message Date
Thomas Fiala
d6dd968891 [1D/Examples] Add new diffusion flame examples 
These two examples show how to run sequences of diffusion flames while varying
certain parameters (pressure or strain rate). They make use of scaling rules to
provide improved initial guesses for the continuation runs, increasing
computational efficiency.

Resolves Issue 229.
 2014-09-02 22:34:23 +00:00
Ray Speth
1e2ba1f0d2 [1D/Python] Fix spurious 'divide by zero' warning 2014-09-02 22:34:21 +00:00
Thomas Fiala
46231379c1 [1D/Python] Add solver warnings for diffusion flame solutions 
Adds warnings that check if the solution of a counterflow diffusion flame is
reasonable (not extinct, and not too close to the boundaries of the domain).

Resolves Issue 231.
 2014-09-02 22:34:18 +00:00
Ray Speth
22a6bb9ef2 [1D/Python] Fix initial profile generation for diffusion flames 
Don't assume that the leftmost grid point is z = 0.
 2014-09-02 22:34:16 +00:00
Thomas Fiala
68e84bdff7 [Python/1D] Add strain rate calculation for diffusion flames 
Allows calculation of strain rate based on various definitions.

Resolves Issue 230.
 2014-08-28 16:55:44 +00:00
Bryan W. Weber
f0bb0f8492 [Doc] Fix some Sphinx warnings 
Comments are also added to note places where the function
signatures embedded by Cython produce warnings in Sphinx.
These warnings should be ignored until Sphinx supports this.
 2014-08-26 22:04:59 +00:00
Bryan W. Weber
32d5d7b8b2 [Matlab] Fix build warnings about Contents.m 2014-08-26 22:04:50 +00:00
Bryan W. Weber
6bf39e87c4 [Matlab] Minor fixes to docs and screen output 
Fix missing parameter docs in Matlab ReactorNet setTolerances. Fix missing semicolon in ThermoPhase display
 2014-08-26 22:04:46 +00:00
Bryan W. Weber
eeab08d683 Allow auto conversion of Python examples on Windows 
3to2 cannot be called as an executable on Windows, but it can be called
as a script. Assume that the 3to2 script is installed in
PYTHONROOT\Scripts, which is the default for installation by pip.
 2014-08-25 18:41:56 +00:00
Ray Speth
907bbd8b79 Allow importing phases from XML or CTI strings 2014-07-30 16:59:51 +00:00
Ray Speth
4a1aee131d [Cython/Examples] Update surf_pfr to show reactor network reinitialization 2014-07-30 16:59:34 +00:00
Ray Speth
2b67ec4538 [Test] Add surface kinetics test based on the sofc.py example 2014-07-30 16:59:30 +00:00
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