research/cantera
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions
5556 commits 2 branches 16 tags 37 MiB
Commit graph

539 commits

Author SHA1 Message Date
Ray Speth
be2d08f7c2 Remove a leftover debugging print statement 2015-05-05 11:00:25 -04:00
Ray Speth
4ea96b810d [Python] Document Species, SpeciesThermo, and derived classes 2015-05-05 11:00:25 -04:00
Ray Speth
9af5d5835a [Python] Handle 'charge' and 'size' arguments to class Species 2015-05-05 11:00:25 -04:00
Ray Speth
56195cc67d [Python] Fix a typo in the name of class 'CoverageDependency' 2015-05-05 11:00:25 -04:00
Ray Speth
184bff328d [Python] Add ability to get/set species transport data 2015-05-05 11:00:25 -04:00
Ray Speth
fd659c09ea [1D] Fix saving multiple flame profiles to a single XML file 
Broken by the change in b0e5b13913. Modify the save_restore test
to cover this case.
 2015-05-02 21:24:51 -04:00
Ray Speth
c1fda5ca3c [Python] Wall coverages can be set using a dict or string 2015-05-02 20:07:46 -04:00
Ray Speth
31491c82cc [Python] Interface.coverages can be set using a string or dict 2015-05-02 20:07:45 -04:00
Ray Speth
9e4e73da90 [Python] Convert both dicts and strings to compositionMap 2015-05-02 20:07:44 -04:00
Ray Speth
f4715c671f [Python] Add method for setting Chebyshev rate coefficient parameters 2015-05-02 20:07:36 -04:00
Ray Speth
6458b0c50d [Python] Enable direct construction of PlogReaction 2015-04-30 22:32:11 -04:00
Ray Speth
a6038b32f6 [Python] Add functions for constructing falloff / chemact reactions 2015-04-29 22:48:44 -04:00
Ray Speth
0a2b4816ef [Python] Add setters for constructing elementary and third-body reactions 
This allows creating reactions of these types without needing an XML or
CTI input file.
 2015-04-29 19:35:13 -04:00
Ray Speth
498f53c350 [Python] Allow direct creation of derived-type Reaction objects 2015-04-29 19:32:35 -04:00
Ray Speth
a1e4735743 [Python] Fix premature deallocation when slicing Solution objects 
Testing the value of self.parent in _SolutionBase.__dealloc__ was ineffective
because this attribute can already be cleared when __dealloc__ is called,
causing the borrowed C++ objects to be deleted prematurely. A C data member
needs to be used to determine whether this object is responsible for deleting
the underlying C++ objects.
 2015-04-29 14:38:45 -04:00
Ray Speth
25c2d6c781 [Python] Enable creation of Kinetics objects from Reaction objects 2015-04-29 13:05:12 -04:00
Ray Speth
c994917bae [Kinetics] Add functions for creating Reaction objects from CTI/XML 2015-04-28 17:13:11 -04:00
Ray Speth
b6ac3ce995 [CTI] Allow CTI files containing only reaction definitions 
The reactions in these files can be referenced by other CTI/XML files, or used
directly to create Reaction objects. The absence of a phase definition requires
that either (a) all reactions are in bulk phases, or (b) the rate constants are
given in kmol, meter, second units since it is impossible to determine the
dimensionality of the concentration for each species.
 2015-04-28 17:13:11 -04:00
Ray Speth
caf71b839c [ctml] Refactor 'stick' to be a class instead of a function 
This has no impact on the normal use case, but helps separate some properties
which are not relevant for bulk-phase reactions.
 2015-04-28 17:13:11 -04:00
Ray Speth
de1884db71 [Python] Add access to interface reactions 2015-04-26 14:36:46 -04:00
Ray Speth
a15d9c17e2 [Python] Add access to Chebyshev reactions 2015-04-24 18:53:48 -04:00
Ray Speth
5fb9f95004 [Python] Add access to p-log reactions 2015-04-24 17:33:04 -04:00
Ray Speth
e7946478df [Python] Add access to falloff and chemically activated reactions 2015-04-24 14:04:07 -04:00
Ray Speth
bbe2e1c79b [Python] Add access to properties of simple reaction types 
This includes ElementaryReaction and ThirdBodyReaction
 2015-04-23 18:10:15 -04:00
Ray Speth
af93dc774d [Python] add ctypedef for Composition 2015-04-22 14:09:46 -04:00
Ray Speth
dc3af8a58d [Python] Add ability to create ThermoPhase objects from Species 
This makes it possible to create a phase without ever generating a CTI
or XML description. Does not yet work with phase types that require
additional parameters.
 2015-04-22 14:08:24 -04:00
Ray Speth
a4ba47594c [Python] Add functions for creating Species objects from CTI/XML 2015-04-22 14:08:24 -04:00
Ray Speth
64c66437eb [Python] Improve handling of 'bytes' objects being passed in 2015-04-22 14:08:21 -04:00
Ray Speth
d27b9ef9b1 [Thermo] Species size defaults to 1.0 
This mostly affects surface phases, where a species size of 0 causes
several problems.
 2015-04-20 18:34:37 -04:00
Ray Speth
d6f7fd855a [Python] Add access to SpeciesThermo(InterpType) objects 2015-04-20 18:34:36 -04:00
Ray Speth
71f912d211 [Python] Add basic access to Species objects 2015-04-17 19:06:43 -04:00
Ray Speth
258fb8ed57 [Matlab] Add missing 'clear' functions 
Without these functions, it was impossible to use these classes
without leaking memory. Even with these functions, the memory is
released only when these functions are explicitly called, as
old-style Matlab classes have no notion of a destructor.

Fixes #252.
 2015-04-11 10:54:52 -04:00
Ray Speth
2161060743 [Matlab] Fix clear(Reactor) to delete the reactor instead of copying 2015-04-10 23:44:55 -04:00
Ray Speth
ecb6242b79 Fix spelling errors 2015-04-08 19:36:55 -04:00
Ray Speth
eb18f34f47 [Python] Fix class docstrings of composite classes 
These were being hidden by incorrectly placed __slots__ attributes (the
docstring must appear first).
 2015-04-07 17:58:26 -04:00
Ray Speth
a981622981 [Python] Add transport_model override option to Solution constructor 
This keyword argument allows the transport model specified in a CTI/XML file to
be overridden when creating the object. Can be used to speed up Solution
initialization by specifying 'transport_model=None', which is especially useful
for large mechanisms where transport initialization scales as species number
squared.
 2015-04-07 17:58:26 -04:00
Ray Speth
79b3a8ae39 [ck2cti] Allow arbitrary reactant stoichiometries 
There is no reason to disallow more than 3 reactants
 2015-04-07 17:58:26 -04:00
Ray Speth
57856254f7 Change Python module URL to point to cantera.org 2015-03-10 22:41:49 +00:00
Ray Speth
eca79a5332 [Examples/1D] Use uniform initial grids in flame simulation examples 2015-02-28 00:24:32 +00:00
Ray Speth
5534c15bc5 [Examples] Use IdealGasConstPressureReactor in sensitivity example 2015-02-28 00:24:25 +00:00
Ray Speth
ff3a1cc385 [Cython/Reactor] Fix setting reactor name through the constructor 
This parameter wasn't being passed from Reactor to ReactorBase
 2015-02-28 00:24:22 +00:00
Ray Speth
72e0d650b4 [ck2cti] Automatically add the 'negative_A' flag where necessary 2015-02-26 00:13:39 +00:00
Ray Speth
74f1cf05b1 [ck2cti] Narrow implicit end-of-section test 
Assume that the new section label must be the first word on a line
 2015-02-26 00:13:34 +00:00
Ray Speth
afb5b13eb4 [Python/Reactor] Use constant pressure reactor instead of adding Wall 
This shows the preferred method for simulating a constant pressure reactor,
rather than using a Wall with a high expansion rate coefficient which introduces
unnecessary stiffness to the problem.
 2015-02-20 23:43:38 +00:00
Ray Speth
10b73473f9 [Test] Add tests for elemental mass/mole fraction and mixture fraction 2015-02-17 23:24:00 +00:00
Thomas Fiala
faf222ca57 [1D/Python] Add method for calculating mixture fraction in diffusion flames 2015-02-17 23:23:57 +00:00
Thomas Fiala
4bc4fda90c Add C++ and Cython support for computing elemental mass/mole fractions 2015-02-17 23:23:51 +00:00
Thomas Fiala
6b5b8e7735 [1D] Add convenience functions for heat release rate 2015-02-16 17:24:34 +00:00
Ray Speth
170d50676a [Doc] Document definition of the sensitivity coefficient 2015-02-12 04:04:55 +00:00
Ray Speth
86393cda42 [ck2cti] Allow conversion of standalone species thermo databases 
This is useful when the species definitions are going to be used to define
phases in other input files.
 2015-01-22 00:04:28 +00:00