research/cantera
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions
5664 commits 2 branches 16 tags 37 MiB
Commit graph

583 commits

Author SHA1 Message Date
Ray Speth
4efad93a6d [Kinetics] Fix handling of integral, explicit reaction orders 
If any of the reaction orders differ from the corresponding stoichiometric
coefficients, the reaction needs to be handled as the general case, instead of
just when the orders are non-integral.
 2015-06-22 11:56:56 -04:00
Ray Speth
1d7104a96b Fix race condition when Python 2 and Python 3 tests run in parallel 2015-06-19 14:23:45 -04:00
Ray Speth
f6f868fe28 [Reactor] Check for Reactor contents before installing FlowDevice 
Fixes #279.
 2015-06-18 14:37:54 -04:00
Ray Speth
c0fa589b8c [Reactor] Fix segfaults in updateMassFlowRate due to unset parameters 
The downstream and upstream Reactors, the "master" flow controller, and the
coefficient arrays were being read without checking that they had been
initialized.

Fixes #278.
 2015-06-18 12:18:59 -04:00
Kyle Niemeyer
cd545af5ed [Python/Thermo] Added functions for getting species thermo parameters 
Resolves #275; Closes #276; Closes #277
 2015-06-17 22:57:51 -04:00
Bryan W. Weber
60827267b7 Add MATLAB interface to the setState_RP function 2015-06-15 17:47:37 -04:00
Bryan W. Weber
0b92ef20e5 Add the missing getters to the Python tests 2015-06-15 17:47:37 -04:00
Bryan W. Weber
20455056f8 Add Python interface for setState_RP + tests 2015-06-15 17:47:37 -04:00
Ray Speth
2f7e05040c [ck2cti] Improve handling of single T-range thermo data 2015-06-15 16:47:54 -04:00
Ray Speth
b25167e4b9 [ck2cti] Print the current thermo entry when an error is encountered 2015-06-15 16:26:41 -04:00
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