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573 commits

Author SHA1 Message Date
Ray Speth
8d4e9bff6e [Reactor] Make argument to ReactorNet.step optional and deprecated 
The value of this argument has almost no effect on the integrator, and
frequently confuses users since the ReactorNet can end up at a time either
greater or less than the specified time. By removing this argument, the
distinction betwen step() and advance(t) becomes much more clear.
 2015-06-11 14:03:20 -04:00
Ray Speth
392b0f5692 [Reactor] Do not use argument to step/advance to set the max time step 
Allow CVODES to take arbitrarily large timesteps by default. If a maximum time
step is desired, it can be set explicitly.
 2015-06-11 14:03:20 -04:00
Ray Speth
835b81a6f8 [MixMaster] Display more useful error messages 
Include the full text of the original exception, and print this to the terminal
as well.
 2015-06-02 11:05:35 -04:00
Ray Speth
a677409283 [MixMaster] Fix displaying of errors when using Python 2 2015-06-02 11:05:35 -04:00
Ray Speth
eafcc1d991 [Python/Thermo] Add setter for PureFluid.X in the two-phase region 2015-05-30 11:30:11 -04:00
Ray Speth
e292caa187 [Python] Add Kinetics.reactions() method which returns all Reactions 2015-05-28 12:38:50 -04:00
Ray Speth
859aee18ef [Python] ThermoPhase.species() returns all Species objects 2015-05-28 12:38:50 -04:00
Ray Speth
dcf7a2bdff [Python] Replace _have_sundials() with __sundials_version__ 
Resolves #259.
 2015-05-26 16:47:38 -04:00
Ray Speth
0552c8a46e [Python/Reactor] Fix ReactorNet.verbose property 
Fixes #260
 2015-05-26 11:42:29 -04:00
Ray Speth
341b137766 [Doc] Capitalize proper nouns and acronyms 2015-05-25 20:58:44 -04:00
Ray Speth
51c8d7365a [Doc] Fix spelling errors 2015-05-25 20:57:19 -04:00
Ray Speth
ae5132060e [Python] Adjust names to avoid namespace clutter 2015-05-25 00:00:52 -04:00
Ray Speth
0f6f9c8f5a [Python] Add functions for evaluating rate constants 2015-05-24 20:03:21 -04:00
Ray Speth
af3e34ccb0 [Python] Add repr functions to Species/Reaction classes 2015-05-24 19:45:26 -04:00
Ray Speth
6bec1029e7 [Python/Doc] clarify reaction path properties that can be set 2015-05-24 18:23:23 -04:00
Ray Speth
ba9c9c768f [Kinetics] Use the name 'ThreeBodyReaction' consistently 2015-05-11 16:35:46 -04:00
Ray Speth
946b7abfc5 [Python] Implement 'allow_negative_pre_exponential_factor' property 2015-05-11 16:26:32 -04:00
Ray Speth
f5b2fc37df [Python] Use name 'pre_exponential_factor' consistently 2015-05-11 16:16:44 -04:00
Ray Speth
9e9f03288a [Kinetics] Implement modifyReaction for InterfaceKinetics 2015-05-08 11:07:41 -04:00
Ray Speth
62cd325036 [Kinetics] Implement modifyReaction for gas-phase reactions 2015-05-07 18:31:40 -04:00
Ray Speth
14b41ea338 [Python/Doc] Update docs for Solution and Interface 2015-05-06 21:15:02 -04:00
Ray Speth
d470486bee [Python] Reactants and products can be specified in Reaction constructor 2015-05-06 21:15:01 -04:00
Ray Speth
9824edcb86 [Python] Update docs for Species and Reaction 2015-05-06 21:15:01 -04:00
Ray Speth
646654b7d0 [Python] Fix declarations of some methods which can throw exceptions 2015-05-06 21:15:01 -04:00
Ray Speth
658ce5d73b [Python] Return 'None' if thermo or transport are undefined 2015-05-06 21:15:00 -04:00
Ray Speth
a4252480aa [Python] Add setter for Species.transport 2015-05-06 21:15:00 -04:00
Ray Speth
00ed585f18 [Python] Adding example demonstrating submechanism extraction 2015-05-06 21:14:59 -04:00
Ray Speth
08f0fb5bf6 [1D/Examples] Use np.genfromtxt in fixed-T flame example 2015-05-06 21:14:59 -04:00
Ray Speth
27726c3072 [Python/1D] Use initial gas composition as state of flame inlet 
This eliminates the need to set the inlet temperature and composition explicitly
for configurations where only one composition needs to be specified (i.e. all
premixed configurations).
 2015-05-06 21:14:58 -04:00
Ray Speth
982846acf7 [Python] Add mechanism reduction example using Species and Reactions 2015-05-05 15:02:57 -04:00
Ray Speth
d8ed6135ea [Python] Skip undeclared third bodies when adding Reactions 
This needs to be the default behavior, since reactions can currently only be
added from the constructor.
 2015-05-05 13:47:50 -04:00
Ray Speth
d68c41197e [Python/Doc] Document GasTransportData 2015-05-05 11:34:07 -04:00
Ray Speth
18e2ab7c8d [Python/Doc] Document Reaction and derived classes 2015-05-05 11:34:07 -04:00
Ray Speth
dd62e6061e [Python] Add setters for InterfaceReaction properties 2015-05-05 11:00:25 -04:00
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