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161 commits

Author SHA1 Message Date
Bryan W. Weber
ded50547f9 Update test results changed by constants and elements 
Update reference values and blessed files in regression tests.
 2019-08-09 15:15:30 -04:00
Bryan W. Weber
1e2a9f23a3
[Test] Avoid using path in source tree in tests 
The relative path that is eliminated here relied on being in the source
directory structure, breaking tests of the installed Cython interface
 2019-06-29 17:02:41 -04:00
Ray Speth
44c5094bb2 [Input] Implement 'skip-undeclared-third-bodies' option in YAML format 2019-06-25 22:30:59 -04:00
Ray Speth
b77f368ead [Input] Instantiate BinarySolutionTabulatedThermo from YAML 2019-06-25 22:30:59 -04:00
Ray Speth
8eb52a7afb [Input] Create ElectrochemicalReaction objects from YAML definitions 2019-06-25 22:30:59 -04:00
Ray Speth
b1273301cc [Input] Create Metal objects from YAML definitions 2019-06-25 22:30:59 -04:00
Ray Speth
088e0031fd [Input] Create LatticePhase and LatticeSolidPhase from YAML definitions 2019-06-25 22:30:59 -04:00
Ray Speth
f1937bfada [Input] Create IdealSolidSolnPhase objects from YAML definitions 2019-06-25 22:30:59 -04:00
Ray Speth
3011374ff6 [Input] Create ConstDensityThermo objects from YAML definitions 2019-06-25 22:30:59 -04:00
Ray Speth
ecc1cf0db2 [Input] Create PureFluid objects from YAML definitions 2019-06-25 22:30:59 -04:00
Ray Speth
9e98aef969 [Input] Create RedlichKwongMFTP objects from YAML definitions 2019-06-25 22:30:59 -04:00
Ray Speth
0d1196bd46 [Input] Create InterfaceKinetics and InterfaceReaction objects from YAML 2019-06-25 22:30:59 -04:00
Ray Speth
26bd71af53 [Input] Create Surface and Edge phases from YAML definitions 2019-06-25 22:30:59 -04:00
Ray Speth
fd088889cd [Transport] Add tests based on YAML input files 2019-06-25 22:30:59 -04:00
Ray Speth
45d5099979 Create PDSS_HKFT objects from YAML definitions 2019-06-25 22:30:59 -04:00
Ray Speth
3028c14a10 Improve setting of default energy and pressure units 
Only treat activation energies as a special case, rather than all molar
energies. Units of activation energy can be set either explicitly or by setting
units for energy and quantity. Only the case where activation energies are given
as temperatures needs to be specified explicitly.

Allow setting of default energy units, which allows calories to be used.

Also add dyn/cm^2 as an option for pressure units.
 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
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
fdfbc58a1e [Input] Search current directory for referenced YAML input files 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
5ad656e342 [ck2cti] Fix Chebyshev rate constant when using local quantity units 
Since the leading Chebyshev coefficient has effective units like
log(cm^3/kmol), it needs to be converted directly to the default units of
the CTI file.

Analogous to the fix for PLOG reactions in #435.
 2019-02-28 22:37:38 -05:00
Ray Speth
540777c32b [ck2cti] Fix handling of reaction units settings not on last line 
Fixes a regression introduced in d56b6205fa.
 2019-02-25 11:06:12 -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
e3424d8ed4 [ck2cti] Fix over-zealous detection of section 'end' labels 2019-02-04 18:49:45 -05:00
Ray Speth
311ae76510 [Thermo] Allow species without thermo data 
In some models, SpeciesThermoInterpType objects on individual species are not
used. Instead of requiring the specification of placeholder thermo data, this
allows the base SpeciesThermoInterpType class to be used, which will throw an
exception if it is inadvertently used.
 2019-01-23 16:43:44 -05:00
Ray Speth
4d5cd502a2 [Input] Improve error message for Chemkin files with unrecognized sections 2019-01-10 15:17:33 -05:00
Ray Speth
a347ad36c4 [Input] Fix handling of skipped species in NASA9 input files 
Fixes #582
 2019-01-10 15:17:33 -05:00
Ray Speth
d56b6205fa [Input] Improve detection of invalid lines in reaction entries 
Previously, lines which did not contain a reaction equation or a known keyword
and did not contain any slashes would be silently skipped. This caused reactions
mistakenly written using '->' as the arrow to be ignored without warning.

Fixes #583
 2019-01-10 15:17:33 -05:00
Ray Speth
6f45b241b5 Remove code deprecated in Cantera 2.4 2018-12-14 11:27:24 -05:00
Steven DeCaluwe
0257c4868e Adding test suite coverage for critcal property lookups in RedlichKwongMFTP 2018-12-11 11:08:47 -05:00
bangshiuh
87b042a231 add test for O2- mix. diff. 2018-10-09 16:33:40 -04:00
Ray Speth
b0deb41708 [Transport] Make WaterTransport constructible using newTransportMgr 
This makes it possible to specify the WaterTransport model in XML input files,
and to use the model from Python and Matlab.

Resolves #289
 2018-09-07 23:24:23 -04:00
Ray Speth
d9f9f69fc3 [SCons/Test] Regression tests also look for input files in test/data 
This allows the elimination of a number of duplicate input files.
 2018-09-07 23:24:23 -04:00
Ray Speth
e4362d37e7 [Kinetics] Check for non-existent species in reaction orders 
When the nonreactant_orders option was enabled, specifying reactant orders for
species which were not present in the phase previously resulted in out-of-bounds
memory access.
 2018-08-28 16:40:43 -04:00
BangShiuh
5c783c708f [Transport/Test] Add tests for IonTransport properties 2018-06-15 10:44:46 -04:00
BangShiuh
1245a694e5 [Test/1D] change TestIonFlame to use IonGasTransport 2018-06-15 10:44:46 -04:00
Ray Speth
d09161716f Fix duplicate key check in parseCompString 
The check was being done at a stage where the token being checked could be just
a part of a key (if the key contained a colon), where this partial key could
correspond to another valid key.

Fixes #525
 2018-04-13 15:33:35 -04:00