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46 commits

Author SHA1 Message Date
Ray Speth
ba9c9c768f [Kinetics] Use the name 'ThreeBodyReaction' consistently 2015-05-11 16:35:46 -04:00
Ray Speth
62cd325036 [Kinetics] Implement modifyReaction for gas-phase reactions 2015-05-07 18:31:40 -04:00
Ray Speth
092937fd06 [Kinetics] Fix handling of undeclared third bodies in Falloff reactions 2015-05-06 21:14:59 -04:00
Ray Speth
14b2e8f5cf [Kinetics] Fix 'skip_undeclared_species' behavior 2015-05-06 21:14:58 -04:00
Ray Speth
9d4a3e0f75 [Kinetics] Reaction objects have Falloff objects 
This approach actually makes use of the fact that we have a Falloff type.
 2015-04-23 18:10:15 -04:00
Ray Speth
6727902c3f [Kinetics] Allow skipping third-body efficiencies when using Reaction 2014-11-15 00:47:04 +00:00
Ray Speth
b4afcd3e8e [Kinetics] Implement addReaction using Reaction objects for GasKinetics 
This covers elementary, third-body, and falloff reaction types
 2014-11-11 00:11:25 +00:00
Ray Speth
557ffffc5b [Kinetics] Combine ReactionStoichMgr with class Kinetics 
Class ReactionStoichMgr is now deprecated, as all of its functions were just
pass-throughs between Kinetics and StoichManagerN.
 2014-11-01 00:13:46 +00:00
Ray Speth
3b71d75ada [Kinetics] Add class BulkKinetics 
This class serves as a common base for GasKinetics and AqueousKinetics,
eliminating most of the redundancy between the two classes.
 2014-10-30 21:09:59 +00:00
Ray Speth
6f0fb5cf8d [Kinetics] Refactor and deprecate installReagents 2014-10-29 23:32:27 +00:00
Ray Speth
a8659c86cc [Kinetics] Removed unnecessary initializations 2014-10-29 23:32:24 +00:00
Ray Speth
3ab37254eb [Kinetics] Move m_rfn and m_rkcn up to Kinetics 2014-10-29 23:32:19 +00:00
Ray Speth
987bb8f115 [Kinetics] Remove unused variable 'm_fwdOrder' 2014-10-29 23:32:16 +00:00
Ray Speth
ba87385c86 [Kinetics] Finish deprecating duplicate "reactionNumber" function 
Remove the private implementations outright.
 2014-10-29 23:32:12 +00:00
Ray Speth
d5262e8bee [Kinetics] Move stoich manager and related functions up to Kinetics 2014-10-29 23:32:07 +00:00
Ray Speth
6287c2c311 [Kinetics] Remove unused m_index member of Kinetics classes 2014-10-22 21:48:19 +00:00
Ray Speth
584c57d569 [Kinetics] move "reaction type" up to Kinetics 2014-10-22 21:48:15 +00:00
Ray Speth
d65dbe3da2 [Kinetics] Move common Kinetics features up to the base class 2014-10-22 21:48:11 +00:00
Ray Speth
002c158761 Cleanup include statements 
Move includes from header to implementation files where possible, and remove
unnecessary includes.
 2014-08-28 16:54:13 +00:00
Ray Speth
8bee138553 [Kinetics] Add access to reactant and product strings 
In C++, these are the reactantString() and productString() methods.  In Python,
these are the 'reactants' and 'products' properties.

Resolves Issue 110.
 2014-06-20 18:45:17 +00:00
Ray Speth
b5396837b2 Make use of std::min, std::max, and clip 2014-06-03 16:52:43 +00:00
Ray Speth
95eb7ab3ba Remove newline after '::' in member function definitions 
This inconsistency makes it hard to directly search the code for a specific
member function definition.
 2014-03-24 04:03:09 +00:00
Ray Speth
77ccab92bd [Kinetics] Implement evaluation of "chemically activated" reaction rates 2013-07-06 21:44:02 +00:00
Ray Speth
8b87087e41 [Kinetics] Populate m_rxntype 2013-07-06 21:43:56 +00:00
Ray Speth
d253fc0d63 Eliminate redundant standard library includes 2013-06-05 17:08:13 +00:00
Ray Speth
1ed172a4d4 [Kinetics] Lazy evaluation of temperature-dependent terms in rate expression 
This interacts well with the new formulations for the Reactor governing
equations where T is an independent variable, which means that the
temperature-dependent terms do not need to be updated when computing the
Jacobian terms involving derivative with respect to composition.
 2013-05-29 00:11:52 +00:00
Ray Speth
2e26abd4f9 [Kinetics] Fixed a NaN result in falloff reaction rates 
A NaN result could be caused by an underflow in the high-pressure rate
expression.
 2013-05-06 20:05:57 +00:00
Ray Speth
259ceaa9a6 Added assertions to check that some variables remain finite 2013-05-06 20:05:53 +00:00
Ray Speth
0a059d406a Eliminated unnecessary empty destructors from derived classes 
See http://www.parashift.com/c++-faq-lite/virtual-dtors.html
 2013-04-29 18:04:23 +00:00
Ray Speth
d103ec8d2f Cleaned up Doxygen documentation for class Kinetics and descendants 2013-04-12 23:05:20 +00:00
Ray Speth
229ef825f0 [Kinetics] Refactored GasKinetics to more easily support derived classes 2013-03-04 17:31:32 +00:00
Ray Speth
8847b5abac [Kinetics] Ensure that equilibrium constants are not zero 
This prevents reverse rate constants from becoming NaN when the forward rate
constant underflows.
 2013-02-15 17:31:15 +00:00
Ray Speth
e04e59cdd3 Removed extraneous parentheses around arguments to 'return' 
'return' is a keyword, not a function, so these parens are unnecessary.
 2013-02-14 01:03:48 +00:00
Ray Speth
a25c1a43b3 [Kinetics] Fixed crashes when reaction mechanism contains no reactions 
Make sure several arrays are never of length zero so that taking &v[0]
is always well-defined.
 2013-02-14 01:02:18 +00:00
Ray Speth
94d08f1d5e Removed unnecessary casts from object duplication functions 2012-10-24 15:45:33 +00:00
Ray Speth
52cf8cecae Eliminated some unnecessary memory management in stoichiometry managers 2012-03-30 23:48:32 +00:00
Ray Speth
7bfd094eaf Implemented Chebyshev rate expressions 2012-03-30 23:48:25 +00:00
Ray Speth
9adbd2dc8f Simplified GasKinetics by eliminating class GasKineticsData 2012-03-30 23:48:13 +00:00
Ray Speth
510b25b884 Implementation of P-log rate expressions 
Also includes skeleton for implementing Chebyshev rates.
 2012-03-30 23:47:50 +00:00
Ray Speth
234439d10f Make use of the ReactionData struct when installing reactions 2012-03-30 23:47:38 +00:00
Ray Speth
b4c07978e6 Implemented parsing of P-log and Chebyshev reactions from CTML 2012-03-30 23:47:31 +00:00
Ray Speth
1e8870191d Moved m_kk up to the base Kinetics class 2012-03-15 19:51:16 +00:00
Ray Speth
b955395ed1 Skip cast from size_t to int when calling int2str 2012-02-27 18:14:17 +00:00
Ray Speth
437294ae00 Removed previously-deprecated array_fp typedef 2012-02-22 00:16:22 +00:00
Ray Speth
a310345b9e Updated #includes to reflect new header file locations 2012-02-12 02:44:14 +00:00
Ray Speth
2528df0f75 Reorganized source tree structure 
These changes make it unnecessary to copy header files around during
the build process, which tends to confuse IDEs and debuggers. The
headers which comprise Cantera's external C++ interface are now in
the 'include' directory.

All of the samples and demos are now in the 'samples' subdirectory.
 2012-02-12 02:27:14 +00:00
Renamed from Cantera/src/kinetics/GasKinetics.cpp (Browse further)