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873 commits

Author SHA1 Message Date
Ray Speth
9c008a753b [Kinetics] Merge Troe3 and Troe4 implementations 2014-10-30 21:10:09 +00:00
Ray Speth
d1295a5249 [Kinetics] Make Falloff class declarations public 2014-10-30 21:10:04 +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
e7236df51f Formatting cleanup of InterfaceKinetics 2014-10-22 21:48:09 +00:00
Ray Speth
a208c54d1c Add a version of XML_Node::getChildren with a simpler interface 2014-10-22 21:48:04 +00:00
Ray Speth
7d9a6eeefc Deprecate class SpeciesThermoFactory 2014-10-17 23:44:56 +00:00
Ray Speth
e390beacbe Handle MineralEQ3 adjustment without using ThermoPhase object 2014-10-17 23:44:52 +00:00
Ray Speth
4dd3e1d2bc Use Species objects when adding species from XML 2014-10-17 23:44:47 +00:00
Ray Speth
11caddea1e Implement factory functions for SpeciesThermoInterpType 2014-10-17 23:44:42 +00:00
Ray Speth
5bc4a12e2e Add options for handling Species containing undefined elements 2014-10-17 23:44:37 +00:00
Ray Speth
26b6f190f3 Introduce class Species 2014-10-17 23:44:31 +00:00
Ray Speth
53abe2ee9a [Thermo] Always use GeneralSpeciesThermo 
The specialized SpeciesThermo derived types offer no performance benefit now
that GeneralSpeciesThermo manages calculation of the temperature terms
efficiently.
 2014-10-15 02:03:06 +00:00
Ray Speth
6c3fc200b6 Clean up implementation of GeneralSpeciesThermo 2014-10-15 02:03:01 +00:00
Ray Speth
5166336a32 [Thermo] Add continuity check to NasaPoly2 2014-10-15 02:02:58 +00:00
Ray Speth
0da3424249 [Thermo] Improve performance of GeneralSpeciesThermo 
Compute the temperature polynomial only once for each parameterization type. By
doing this, we essentially get performance parity with the specialized
SpeciesThermo types (NasaThermo, ShomateThermo, SimpleThermo).
 2014-10-15 02:02:55 +00:00
Ray Speth
227b342d1b Fix Nasa9PolyMultiTempRegion::updateProperties to use the correct polynomial 2014-10-15 02:02:53 +00:00
Ray Speth
40470c46af [Thermo] Separate temperature polynomial calculation from property update 2014-10-15 02:02:48 +00:00
Ray Speth
930bcceddc Clean up formatting of SpeciesThermoInterpType 2014-10-15 02:02:46 +00:00
Harry Moffat
e5c3377dd2 Changed the name of a few internal variables. 2014-10-10 01:40:40 +00:00
Ray Speth
044235c065 [SCons] Remove unnecessary uses of pjoin 2014-10-08 16:54:49 +00:00
Ray Speth
43f022384c Add version of installVPThermoForSpecies without unused arguments 
Deprecate the old version of SpeciesThermoFactory::installVPThermoForSpecies.
 2014-10-08 16:54:44 +00:00
Ray Speth
c4a5f2667f Remove CTML_VERSION macros 
CTML_VERSION_1_4_1 was never used, and defining CTML_VERSION_1_4 broke reading
values written by the addInteger and addFloat functions with the getInteger and
getFloat functions, respectively.
 2014-10-08 16:54:42 +00:00
Ray Speth
55fab6ca83 Deprecate unused return value of importPhase 2014-10-03 22:15:08 +00:00
Ray Speth
a5149ae665 [1D] Reduce default minimum grid size 
The new value is OK even for high pressure flames - it is less than the mean
free path in air at 100 bar and 300 K.
 2014-10-03 22:15:03 +00:00
Ray Speth
4910b1bc1c Fix compilation with Visual Studio 2013 
Fixes regression introduced in r3125.

Resolves Issue 240.
 2014-10-03 16:48:21 +00:00
Ray Speth
787c90adeb [Thermo] Make header files for SpeciesThermoInterpType descendants public 2014-10-03 01:45:58 +00:00
Ray Speth
5b1b08849c Additional uses for getValue with default value 2014-10-03 01:45:54 +00:00
Ray Speth
a74fda8ad2 Introduce 'getValue' to avoid making std::map members mutable 2014-10-03 01:45:49 +00:00
Ray Speth
91f3a2b073 Fix statements that called the assignment operator twice 2014-10-03 01:45:41 +00:00
Ray Speth
afe9ccb03e Remove unnecessary checks before deleting pointers 2014-10-01 17:52:23 +00:00
Ray Speth
4baccc732c [Thermo] Simplify interface for adding elements to a Phase 
Phase::addElements(string name, ...) is the single entry point for adding
elements. It always perform the uniqueness check, and can do the extra
additional work required to add elements to a phase that already has species,
removing the need for "freezing" the phase's elements. Parsing the XML tree for
elements is now handled in "installElements". The variant element-adding methods
are deprecated.
 2014-09-27 00:09:05 +00:00
Ray Speth
473827a8a6 [Thermo] Check to make sure parameterizations are of the correct type 2014-09-27 00:09:02 +00:00
Ray Speth
a8f4c76097 [Thermo] Check to make sure thermo data is installed for all species 2014-09-27 00:08:54 +00:00
Ray Speth
89888e6697 [Thermo] Fix derived classes to always call parent's initThermo() 
Remove unnecessary reimplementations that only called the parent's method.
 2014-09-27 00:08:46 +00:00
Ray Speth
f46b61a740 Make "string&" arguments "const string&" 
This way, these functions can accept constant strings, including string
literals.
 2014-09-26 13:45:12 +00:00
Ray Speth
f3fc8f2ce2 [Thermo] Use findXMLPhase in initThermoFile 
This allows many constructors which take a filename to work with CTI files
directly, and to make use of the parsed XML cache.
 2014-09-26 13:44:57 +00:00
Ray Speth
5ecdc1a4e1 [Equil] Deprecate VCS 'UseCanteraCalls' flag 
When this flag is removed, the behavior will be as if the flag's value were
'true'.
 2014-09-24 23:17:58 +00:00
Ray Speth
ca68fbc075 Rename Cabinet member variables to avoid using reserved identifiers 
Names containing double underscores are reserved for the C++ implementation.
 2014-09-24 23:17:50 +00:00
Ray Speth
8bb65e4cee Add user-specified directories to the beginning of the search path 
This way, users are able to override the defaults.
 2014-09-23 02:20:45 +00:00
Ray Speth
09db5a498a [Thermo] Add getMass/MoleFractionsByName functions with thresholds 
This makes it easier to set the composition of a phase based on the composition
of another phase with a different set of species. The threshold argument allows
species with negligible concentrations to be skipped.

Deprecate the unused getMoleFractionsByName function that didn't return a
value.
 2014-09-18 22:58:59 +00:00
Ray Speth
1ea0122c15 [Transport] Check for invalid 'geometry' flags 
For those cases where the number of atoms in a molecule precludes certain
geometries, check to make sure that that the geometry flag is set
appropriately.
 2014-09-15 18:05:00 +00:00