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109 commits

Author SHA1 Message Date
Ray Speth
45d5099979 Create PDSS_HKFT objects from YAML definitions 2019-06-25 22:30:59 -04:00
Ray Speth
56612115f3 [Input] Create HMWSoln objects from YAML definitions 2019-06-25 22:30:59 -04:00
Ray Speth
7d964dae47 [Input] Create MaskellSolidSoln objects from YAML definitions 2019-06-25 22:30:59 -04:00
Ray Speth
d8a1337933 [Input] Create RedlichKister objects from YAML definitions 2019-06-25 22:30:59 -04:00
Ray Speth
72d345619f [Input] Create PDSS_SSVol objects from YAML definitions 2019-06-25 22:30:59 -04:00
Ray Speth
1e8b8b538c [Input] Create IdealGasVPSS and PDSS_IdealGas objects from YAML definitions 2019-06-25 22:30:59 -04:00
Ray Speth
a3024d7699 [Input] Create IonsFromNeutral objects from YAML definitions 2019-06-25 22:30:59 -04:00
Ray Speth
8b47274765 [Input] Create DebyeHuckel and PDSS_Water objects from YAML definitions 2019-06-25 22:30:59 -04:00
Ray Speth
07aadbce6c [Test] Add more checks to DebyeHuckel.fromScratch 
Change species molar volumes to match DH_NaCl_bdotak.xml
 2019-06-25 22:30:59 -04:00
Ray Speth
e7c6495ec7 [Input] Create IdealMolalSoln objects from YAML definitions 2019-06-25 22:30:59 -04:00
Ray Speth
1bdbf2a010 [Input] Create Margules and PDSS_ConstVol objects from YAML definitions 2019-06-25 22:30:59 -04:00
Ray Speth
2c58dd78c6 [Input] Create FixedChemPot objects from YAML definitions 2019-06-25 22:30:59 -04:00
Ray Speth
cae5c498ca [Input] Create WaterSSTP objects from YAML definitions 2019-06-25 22:30:59 -04:00
Ray Speth
98a9566fc4 [Input] Create StoichSubstance objects from YAML definitions 
The (fixed) density is now read from the species definition, rather than the
phase definition.
 2019-06-25 22:30:59 -04:00
Ray Speth
f0dc990764 Create a complete Kinetics object from a YAML input file 2019-06-25 22:30:59 -04:00
Ray Speth
f4d45f8a85 Create a complete ThermoPhase object from a YAML input file 2019-06-25 22:30:59 -04:00
Ray Speth
c8b737035d [Thermo] Add method for setting the state using an AnyMap 
Analogous to ThermoPhase::setStateFromXML, but more flexible
 2019-06-25 22:30:59 -04:00
Ray Speth
71bf44d11f [Input] Parse YAML entries for Species objects 2019-06-25 22:30:59 -04:00
Ray Speth
84fa231ea2 [Input] Read local 'units' definitions in reaction and thermo entries 
Move 'convert' functions that work with missing keys to AnyMap class.
 2019-06-25 22:30:59 -04:00
Ray Speth
4c5040e829 [Input] Parse YAML entries for piecewise Gibbs (Mu0Poly) species thermo 2019-06-25 22:30:59 -04:00
Ray Speth
86c73dad20 [Input] Parse YAML entries for constant cp species thermo 2019-06-25 22:30:59 -04:00
Ray Speth
7211f08891 [Input] Parse YAML entries for NASA 9-coefficient polynomials 2019-06-25 22:30:59 -04:00
Ray Speth
7ff6e8fac2 [Input] Parse YAML entries for Shomate polynomials 2019-06-25 22:30:59 -04:00
Ray Speth
2b41486850 [Input] Parse YAML entries for NASA 7-coefficient polynomials 2019-06-25 22:30:59 -04:00
Ray Speth
d6d91f4d98 [Thermo] Fix updating state of PDSS_IonsFromNeutral objects 
Setting T and P now updates the state of the underlying "neutral
molecule phase".

Also removed the unimplemented setState_TR method.
 2019-03-06 19:50:16 -05:00
Ray Speth
aceb896f62 [Thermo] Fix BinarySolutionTabulatedThermo updates when only T changes 
In the case where temperature changes but the mole fractions are the same, we
still need to apply the enthalpy and entropy offsets to the tabulated species.
 2019-03-06 19:48:45 -05:00
Ray Speth
ec7f779434 [Input] Include more significant digits for Redlich-Kwong coefficients 
ctml_writer was severely truncating Redlich-Kwong coefficients when converting
from CTI to XML formats, keeping only 5 significant digints in the "a"
coefficients and two decimal digits in the "b" coefficients, which is less than
what is used even in the example CTI files. The use of the "%f" format also
meant that the precision depended on input units.
 2019-03-05 16:09:55 -05:00
Bryan W. Weber
7691d7f9d3
Remove execute bits from test data files 2019-02-22 09:17:20 -05:00
Steven DeCaluwe
05fdd356f2 Updates to BinarySolutionTabulatedThermo and test file. 
-Fixes small typo id incclude/cantera/base/utilities.h docstring
-Removes `m_formGC` from BinarySolutionTabulatedThermo class, and
instead utilizes version and functionality inherited from parent
class `IdealSolidSolnPhase`.
-Moves samples/matlab/lithium_ion_battery/lithium_ion_battery.cti
to data/inputs/lithium_ion_battery.cti
-Fixes typo in test/data/BinarySolutionTabulatedThermo.cti
-Updates expected_result values in several test cases in
test/thermo/BinarySolutionTabulatedThermo_Test.cpp
 2019-02-20 21:39:22 -05:00
Jamie
a7449c6cc8 Add tests for BinarySolutionTabulatedThermo class 2019-02-20 21:39:22 -05:00
Ray Speth
33e198f7e5 [Thermo] Generalize check for missing Redlich-Kwong coefficients 
A check in the "updateAB" function will be executed regardless of how the phase
is instantiated.
 2019-02-04 18:49:45 -05:00
Ray Speth
ebb93cb5a2 [Thermo] Fix setting of temperature-dependent Redlich-Kwong parameters 
Using negative values to indicate unspecified parameters doesn't work, since
either constant in "a = a0 + a1*T" can be negative and still produce a positive
value for "a". Instead, NaN can be used for this purpose.
 2019-02-04 18:49:34 -05:00
Steven DeCaluwe
0257c4868e Adding test suite coverage for critcal property lookups in RedlichKwongMFTP 2018-12-11 11:08:47 -05:00
Ray Speth
3c978cdff6 [Equil] Deprecate get/setElementPotentials 2018-06-06 11:54:14 -04:00
Bryan W. Weber
16fd18315c Remove HAS_NO_PYTHON configuration variable 
This variable is not needed since in the two places its used we do a
runtime check of the presence of the Python interface anyways
 2017-11-26 16:48:40 -05:00
Ray Speth
d035557531 [Thermo] Make adding undefined elements the default behavior 
(except when importing a phase from a CTI or XML input file)
 2017-08-13 23:59:49 -04:00
Ray Speth
a520f782db [Thermo] Make PDSS_SSVol contstructible wihout XML 2017-08-13 23:59:49 -04:00
Ray Speth
4c630fc592 [Thermo] Make PDSS_HKFT constructible without XML 
Also fixes PDSS_HKFT to actually make use of the units specified for each input
constant.
 2017-08-13 23:59:49 -04:00
Ray Speth
3790115b99 [Thermo] Make HMWSolution constructible without XML 2017-08-07 21:32:15 -04:00
Ray Speth
e3afaf5e61 [Thermo] Make IonsFromNeutral constructible without XML 2017-08-07 20:57:34 -04:00
Ray Speth
7fab7f3cd3 Add boolean and integer types to AnyMap 2017-08-07 20:57:34 -04:00
Ray Speth
338b21694f [Test] Add regression checks to IonsFromNeutralConstructor.fromXML 2017-08-07 20:57:34 -04:00
Ray Speth
aa02d24235 [Thermo] Allow instantiation of IdealSolidSolnPhase without XML 2017-08-07 20:57:34 -04:00
Ray Speth
3676672eec [Thermo] Allow instantiation of LatticeSolidPhase without XML 2017-07-17 23:41:44 -04:00
Ray Speth
37be501a68 [Test] Modify DebyeHuckel test to utilize PDSS_Water class 2017-07-17 23:41:44 -04:00
Ray Speth
f69ef44600 [Thermo] Allow instantiation of MargulesVPSSTP without XML 2017-07-17 23:41:44 -04:00
Ray Speth
bfdc2b9e1d [Thermo] Allow instantiation of DebyeHuckel without XML 2017-03-25 23:42:46 -04:00
decaluwe
f9d5f16b72 Adding test coverage for ThermoPhase class RedlichKwongMFTP 2017-02-25 11:36:31 -05:00
Ray Speth
95a52b2d34 [Test] Fix test compilation with G++ 4.6 
G++ 4.6 doesn't support non-static data member initializers
 2017-02-23 23:03:14 -05:00
Ray Speth
a6ac446021 [Thermo] Allow instantiation of IdealMolalSoln without XML 2017-02-22 22:18:40 -05:00