Commit graph

284 commits

Author SHA1 Message Date
Ray Speth
2a50dc50f7 [Thermo] Add accessor for Species objects 2015-01-08 23:36:24 +00:00
Ray Speth
8022e9e01e [Transport] Add gas phase transport parameters to Species objects 2015-01-08 23:36:22 +00:00
Ray Speth
ba42bc6da2 [Doc] Remove suppression of Doxygen autolinking
In those cases where the name is actually a reference to the class, we actually
want Doxygen to apply formatting to the name and link to the class's
documentation, so we shouldn't suppress that behavior with the prepended '%'.
2014-12-05 23:33:24 +00:00
Ray Speth
4ca0bedecd Remove unnecessary use of const_cast 2014-12-05 23:33:17 +00:00
Ray Speth
d830012340 Remove unnecessary explicit calls to operator() and operator= 2014-12-05 23:33:15 +00:00
Ray Speth
ced2d20dd8 Use XML_Node::attrib when it is more clear than using operator[] 2014-11-15 00:47:31 +00:00
Ray Speth
e09db92756 [Doc] Fix some Doxygen warnings 2014-11-15 00:47:19 +00:00
Ray Speth
82dca88af2 Fix VPSSMgr error messages
Display the actual name of the species rather than the name of the species XML
node, which is always just "species".

Make method names in error messages match the methods where they are generated.
2014-11-11 00:11:05 +00:00
Ray Speth
8c934ab678 [Equil] Implement equilibrate as a method of MultiPhase
This differs from the current equilibrate method in that it can use either of
the multiphase equilibrium solvers.
2014-11-08 00:53:42 +00:00
Ray Speth
e16e998dd7 [Equil] Implement equilibrate as a method of ThermoPhase
The Cython interface now calls this equilibrate function.

Unlike the free function 'equilibrate', this new equilibrate method actually
does what the documentation describes regarding the 'solver' argument. This
means that there are cases where failures of the MultiphaseEquil solver were
previously being hidden by a subsequent successful solution using the ChemEquil
solver. These tests have been marked as known failures.
2014-11-08 00:53:39 +00:00
Ray Speth
4bcbe862a9 Fix copy constructor and assignment operator for SpeciesThermo classes 2014-11-08 00:53:36 +00:00
Ray Speth
363d3ec3f0 Remove HMWSoln 'testProb' constructor
This constructor was used only in HMW_test_1, and it just set the same
parameters that were already read from the XML input file.
2014-11-08 00:53:33 +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
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
55fab6ca83 Deprecate unused return value of importPhase 2014-10-03 22:15:08 +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
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
6a07722675 [Thermo] Remove unnecessarily overridden methods in PureFluidPhase 2014-09-02 22:34:25 +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
Harry Moffat
08fe85b4cd Check for fenv.h availability. Apparently, MS visual doesn't have C99 support before 2013, so previous commit didn't compile on MSVISUAL.
If fenv.h not available, program now error exits if fenv functions are requested.
2014-08-26 17:55:44 +00:00
Harry Moffat
6741d8f7c6 InterfaceKinetics rewrite -> addition of general BV reactions and affinity formulation. 2014-08-12 23:02:47 +00:00
Harry Moffat
8ea3da7247 Took out duplicate operator= 2014-08-05 23:44:31 +00:00
Harry Moffat
e129d02d93 Added in real number overflow exception control.
There are a series of activity coefficients for published battery models
 which actually overflows. Cantera was treating this as a nonerror and changing
the return results without comment. This is not correct. Made the behavior a
user controlled capability.
2014-08-05 23:42:24 +00:00
Ray Speth
a22a767be1 Fix some compiler warnings 2014-07-30 16:59:45 +00:00
Steven DeCaluwe
14019cfd2e Adding HighPressureGas transport module. 2014-07-28 21:02:18 +00:00
Ray Speth
45f6e84ebf Improved error messages that just reported 'confused' 2014-07-10 22:36:43 +00:00
Ray Speth
c4beab316f Remove unnecessary class forward declarations 2014-07-10 22:34:44 +00:00