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734 commits

Author SHA1 Message Date
Ray Speth
8ffbbea93f [Python/Examples] Save correct system state after integration step 2016-07-09 19:15:07 -04:00
Ray Speth
b4f2f82fe3 [Python/Examples] Rename 'gri3' to more generic 'gas' 2016-07-09 19:15:07 -04:00
Ray Speth
001b7e91eb [Python] Add species slicing support to SolutionArray 2016-07-09 19:15:07 -04:00
Ray Speth
f2ac1f2347 [Python] Allow SolutionArray to carry 'extra' variables 2016-07-09 19:15:07 -04:00
Ray Speth
59e0f5a6d9 [Python/Examples] Update examples to use SolutionArray 2016-07-09 19:15:07 -04:00
Ray Speth
beb2056926 [Python/Test] Add tests for SolutionArray 2016-07-09 19:15:07 -04:00
Ray Speth
69bec844fd [Python] Fix setting composition using arrays with singleton dimensions 2016-07-09 19:15:07 -04:00
Ray Speth
deafbf8888 [Python] Allow setting SolutionArray using mass/mole fraction arrays 2016-07-09 19:15:07 -04:00
Ray Speth
00b104af50 [Python/Doc] Add documentation for class SolutionArray 2016-07-09 19:15:07 -04:00
Ray Speth
2d32a35eab [Python] Make SolutionArray compatible with InterfacePhase 2016-07-09 19:15:06 -04:00
Ray Speth
366ff043ff [Python] Make SolutionArray compatible with PureFluid 2016-07-09 19:15:06 -04:00
Ray Speth
5c23ea3b4c [Python] Implement SolutionArray.append 2016-07-09 19:15:06 -04:00
Ray Speth
b51b844fb4 [Python] Add more properties to SolutionArray 
Add Kinetics and Transport properties, as well as pass-throughs for properties
and functions which are independent of the state.
 2016-07-09 19:15:06 -04:00
Ray Speth
21a1be8e0a [Python] Add Solution.state to allow faster iteration over states 2016-07-09 19:15:06 -04:00
Ray Speth
78d275b2a2 [Python] Basic implementation of SolutionArray for thermo properties 2016-07-09 19:15:06 -04:00
Ray Speth
bd8a5d0bc9 [Transport] Replace numerical constants for Transport types with strings 2016-07-07 22:52:25 -04:00
Ray Speth
7f21aa0f45 [Kinetics] Replace numerical constants for Kinetics types with strings 2016-07-07 21:36:11 -04:00
Ray Speth
0f71bbcec5 [Thermo] Replace numerical constants for ThermoPhase types with strings 
Deprecate ThermoPhase::eosType and related methods
 2016-07-07 21:36:11 -04:00
Ray Speth
e12738a5c4 [CTI/Doc] Species and element names must be separated by spaces 
Documentation claimed commas could be used as well, but this did not actually
work.

Resolves #341.
 2016-06-29 18:13:41 -04:00
Ray Speth
4b8f8b692a [Reactor] Deprecate Wall-based method for adding surface chemistry 
The new method using class ReactorSurface should be used instead.
 2016-06-28 14:37:59 -04:00
Ray Speth
a7aec575a9 [Matlab] Make ReactorSurface available in Matlab 2016-06-28 14:37:59 -04:00
Ray Speth
c3b9a0c821 [Python] Make ReactorSurface available from Python 2016-06-28 14:16:18 -04:00
Ray Speth
b88e2cb00d [Matlab] Deprecate constants.m 2016-06-27 14:16:48 -04:00
Ray Speth
ffeef2240a [Matlab] Deprecate Domain1D::z (duplicate of Domain1D::gridPoints) 2016-06-27 14:11:19 -04:00
Ray Speth
668634c969 [Thermo] Deprecate classes tpx::leekesler and tpx::RedlichKwong 
These are implementations of tpx::Substance which cannot actually be
instantiated from within the PureFluidPhase wrapper class.

The broken implementation of a CTML class for redlich_kwong is removed here.

A functional implementation of the Redlich-Kwong equation of state remains in
class RedlichKwongMFTP.

Resolves #263
 2016-06-26 20:31:48 -04:00
Ray Speth
36cff8e368 [CTML] Fix docstring of class liquid_vapor 
See Issue #263
 2016-06-26 20:30:22 -04:00
Ray Speth
5fbe2303ca [Python] Fix test suite to work with Python 3.2 
The u'foo' syntax which can be used in Python 2.7 and 3.3+ does not work with
Python 3.2.
 2016-06-24 17:15:14 -04:00
Ray Speth
c64b714386 [Reactor] Add flow-device-specific methods for setting coefficients 2016-06-23 11:53:20 -04:00
Ray Speth
7d18120c4d [ck2cti] Allow elements/isotopes with custom atomic weights 
Resolves #344
 2016-06-22 20:22:58 -04:00
Ray Speth
e100ef9a09 [Python] Fix exception handling when setting soret_enabled 
The C++ exception is now correctly translated to a Python exception, instead of
causing the program to abort.
 2016-05-31 18:55:07 -04:00
Ray Speth
efe43b389e [1D] Add callback hooks to make debugging 1D solver easier 
This allows one to define functions in Python which will be called after each
successful time step or steady state solve, from which the state of the solver
can be inspected.
 2016-05-14 17:24:16 -04:00
Ray Speth
828cca3c42 [1D] Simplify initial conditions for twin flame 2016-05-14 13:45:27 -04:00
Ray Speth
ed72984361 [Test/1D] Add test for twin flame 2016-05-14 13:06:45 -04:00
Santosh Shanbhogue
f699748d0e [1D/Python] Add a Twin Premixed Counterflow Flame class and example 
Resolves #340
 2016-05-14 11:48:53 -04:00
Ray Speth
8ff82c06ce [Reactor] Add componentName function to ReactorNet and Reactor classes 2016-05-09 22:42:45 -04:00
Ray Speth
3a129677df [Test/Reactor] Add test to calculate sensitivity of ignition delay 
Compare result of calculating sensitivity by modifying Species object
with result using CVODES to integrate sensitivity equations
 2016-05-09 13:24:54 -04:00
Ray Speth
cf13b318f4 [Reactor] Implement enthalpy of formation sensitivity analysis 2016-05-08 18:24:14 -04:00
Ray Speth
92e9e08097 [Test] Show largest error component in assertArrayNear 2016-04-29 22:11:17 -04:00
Ray Speth
a026c6ad8b [Thermo] Add compatibility check for phases added to MultiPhase 
PureFluidPhase and WaterSSTP are not compatible with MultiPhase since they are
already multi-phase mixtures.

Resolves #306
 2016-04-18 14:40:28 -04:00
Ray Speth
9c907af1b8 [Python] Add ThermoPhase.set_equivalence_ratio 2016-04-16 16:22:06 -04:00
Ray Speth
1f231d1dd0 [Kinetics] Eliminate need for 'finalize' method 
All reaction-sized arrays are now allocated as reactions are added, which means
that the finalize() method is unnecessary and reactions can be continuously
added, even after the Kinetics object has been used for rate calculations.
 2016-04-15 17:05:10 -04:00
Ray Speth
4428a62f3c [Thermo] Add ability to modify species data for existing Phase objects 2016-04-15 15:32:38 -04:00
Ray Speth
13fa0c7a4f Add invalidateCache() function to ThermoPhase and Kinetics 
This can be used to invalidate cached data after a change to underlying data
such as species thermo coefficients or reaction rate coefficients. Needs to be
user-accessible so that dependent objects can be updated manually.
 2016-04-15 15:32:38 -04:00
Ray Speth
7124385292 [Test] Make deprecation warnings fatal in test suites 
This ensures that deprecated methods aren't being called anywhere in the test
suite, without having to manually scan the test output for warning messages.
 2016-04-15 12:04:08 -04:00
Ray Speth
70824559ce [Test/Equil] Update tests to sometimes use VCS 'estimate_equil' option 2016-04-14 21:51:53 -04:00
Ray Speth
9e5362a762 [ck2cti] Add support for Chemkin-style extended elemental composition 
Support for elemental composition written on additional lines indicated by
Fortran line-continuation character ('&').
 2016-04-08 16:27:32 -04:00
Ray Speth
2bfbd73a12 [Python] Add Reaction.__contains__ method 2016-03-28 18:03:02 -04:00
Ray Speth
233399f899 [ck2cti] Fix conversion of NASA9 thermo with only one temperature range 2016-03-28 12:48:10 -04:00
Ray Speth
92ccda85fc [1D/Examples] Use 'auto' to simplify 1D examples 2016-03-27 17:07:37 -04:00
Ray Speth
2315da5230 [1D/Test] Add more tests for counterflow premixed flames 2016-03-27 17:07:37 -04:00