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594 commits

Author SHA1 Message Date
Ray Speth
f90bf978df Use += and -= where appropriate 2015-08-02 23:06:15 -04:00
Ray Speth
e4c45b6429 General whitespace cleanup 
Remove unnecessary blank lines and trailing whitespace. Replace tabs with
spaces.
 2015-08-02 23:06:15 -04:00
Ray Speth
e8292d387e Fix definition of elemental mole fraction 
The elemental mole fractions should be invariant under composition changes which
conserve atoms.
 2015-07-16 10:41:39 -04:00
Ray Speth
f1f10b6526 Remove unused, deprecated code marked for removal after Cantera 2.2 2015-07-15 12:08:50 -04:00
Ray Speth
546289f737 Remove deprecated code with functional alternatives 2015-07-13 18:59:09 -04:00
Ray Speth
7d36e1eb13 [Python/1D] Fix FlameBase.write_csv 
Also add a test for this method
 2015-07-08 23:57:22 -04:00
Thomas Fiala
b7f2451f06 [Doc] Improve documentation for reactor networks and add more examples 
Resolves #281
 2015-07-07 19:48:15 -04:00
Ray Speth
ce21b08d41 [Python] Document ThermoPhase DP, DPX, and DPY properties 2015-07-03 00:14:35 -04:00
Ray Speth
07f25621f3 [SCons] Fix include order when compiling Cython module 2015-07-01 12:24:49 -04:00
Ray Speth
94316d8416 [Python/Examples] Demonstrate a non-trivial velocity function 
This shows how the velocity function can be used to implement a wall where the
expansion rate coefficient is a function of time.

Also extend the integration interval for this example to actually demonstrate
ignition of both mixtures.
 2015-06-24 15:20:00 -04:00
Ray Speth
140da430c0 Check for non-existent species in setMass/MoleFractionsByName 2015-06-24 13:05:28 -04:00
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