Commit graph

732 commits

Author SHA1 Message Date
Ingmar Schoegl
91c7bf14d7 [Base] finalize introduction of Solution object in C++ layer 2019-11-08 15:12:36 -05:00
Ingmar Schoegl
2a9554c134 [Base] consolidate shared_ptr access in Solution 2019-11-08 15:12:36 -05:00
Ingmar Schoegl
58fc8f770c Replace doublereal by double 2019-11-08 15:12:36 -05:00
Ingmar Schoegl
a0350925a7 [test_problems] replace convenience wrapper classes by C++ Solution
- Remove dependence on IdealGasMix.h
2019-11-08 15:12:36 -05:00
Paul
c4aff04418 Updated URL in references to Cantera's license. 2019-09-23 22:02:33 -04:00
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
agarwalrounak
7523022d71 Update diamond.cti and diamond_cvd.py
Replace data/inputs/diamond.cti with test_problems version that has
more information. This results in a change in the default pressure and
mole fractions of the gas phase, which in turn changes the result of
one of the regression tests. This is fixed by setting the composition
and pressure of the gas phase in the test to their original values. The
default state from the CTI file matches from the paper.

In addition, there was a difference in the reversibility of reaction u
between the files. Since the thermo for C(d) specifies that the
reaction is irreversible, this is the sense of the reaction that is
chosen.

Include plotting in the diamond_cvd.py and use open properly.
2019-08-05 14:09:03 -04:00
Ingmar Schoegl
d263566670 [Reactor] Deprecating magic numbers.
* add deprecation warning for int ReactorBase::type() (to be changed after Cantera 2.5)
 * introduce temporary std::string ReactorBase::typeStr() (to be renamed after Cantera 2.5)
 * deprecate all functions using the old call and introduce associated temporary functions
2019-08-01 15:37:48 -04:00
Bryan W. Weber
296e2912e5 [Test] Update to not use deprecated PureFluid.h
Update test_problems for rankine and pureFluid to avoid using the
deprecated PureFluid.h convenience wrapper classes. Update the
rankine.cpp test problem to match the rankine.cpp sample. Switch
both test_problems updated here to use writelog instead of
printf/cout.
2019-07-30 13:24:11 -04:00
Ray Speth
6a8c378846 [clib] Add functions for creating objects directly from input files
These methods work with YAML, CTI, and XML input files.
2019-06-25 22:30:59 -04:00
Ray Speth
6c82b61c3d [Kinetics] Always use temperature of "reacting" phase
This is always the lowest-dimensional phase, e.g. surface or edge for
heterogeneous systems.
2019-03-05 15:03:48 -05:00
Ray Speth
8bcb62f727 Fix GRI3.0 transport coefficients
The old (C++) ck2cti program unnecessarily rounded some species transport
coefficients. This updates the coefficients in the input files derived from GRI
3.0, and updates the test comparisons for affected tests.
2019-02-25 11:05:40 -05:00
Ray Speth
27c64b76f8 [Thermo] VPStandardStateTP does not use reference thermo objects
Since VPStandardStateTP and derived classes do not use the reference state
thermodynamic properties in the m_spthermo object, we can just install
placeholder objects there, and eliminate the wrapper clas STITbyPDSS.
2019-01-23 16:43:44 -05:00
Ray Speth
0f1da269fc [SCons] Simplify handling of PYTHONPATH in the test suite 2018-09-19 17:59:59 -04:00
Ray Speth
d6da006e3e [SCons] Only build the Python package for Python 3.x 2018-09-19 17:59:59 -04:00
Ray Speth
ff4958a720 [Transport] Migrate wtWater test to GTest test suite 2018-09-07 23:24:23 -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
f46df83841 [Thermo] Make WaterSSTP constructible using newPhase
This makes it possible to create a WaterSSTP phase using an XML input file, and
use this model from Python and Matlab.
2018-09-07 23:24:23 -04:00
Ray Speth
fc7c85f8d1 [clib] Fix some size_t related compiler warnings 2018-08-28 16:45:49 -04:00
Ray Speth
e79cf6f8cb [Transport] Add temperature dependence of rotational relaxation
Results in increase in mixture-averaged thermal conductivity of ~1% or less, and
a similar increase in laminar flame speeds, at least for some test cases.
2018-07-30 10:47:49 -04:00
Bryan W. Weber
1635cd2e04 Use the minimal Python interface for tests when others are not built
If no full or minimal Python interface is being built, copy the minimal
interface into the build directory and use the sys.executable to run it,
so the tests that require CTML or CTI conversion can run.
2017-11-26 16:48:40 -05:00
Ray Speth
739d4e4830 [Equil] Eliminate redundant variables from VCS_SOLVE
Most of these were originally members of VCS_PROB
2017-08-21 21:33:00 -04:00
Ray Speth
4934079d69 [Test/Transport] Move simpleTransport test to GTest suite 2017-08-15 18:42:53 -04:00
Ray Speth
7020fa72bf [Transport] Make SimpleTransport constructible without XML 2017-08-15 17:54:15 -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
4b69c7f265 [Thermo] Remove unused ionic radius from HMWSoln 2017-08-07 20:58:18 -04:00
Ray Speth
6bfd82e0be [Thermo] Remove unused "vacancy species" from LatticePhase 2017-07-17 23:41:44 -04:00
Ray Speth
f3ba29f0bc [Thermo] Fix default molar volume in LatticePhase
Molar volume is the inverse of molar "site" density
2017-07-17 23:41:44 -04:00
Ray Speth
2c3512c22a [Thermo] Fix PDSS_HKFT initialization when one property is not given
Calculating one of G0, H0, or S0 requires the parent ThermoPhase object, so this
calculation has to be delayed until m_tp has been set.
2017-03-02 19:53:23 -05:00
Ray Speth
04cac2b277 [Thermo] Refactor construction of PDSS objects
Introduce a default constructor for PDSS objects, and avoid
passing in unnecesary arguments to initialization functions.
2017-02-22 22:18:40 -05:00
Ray Speth
70e10632d4 [SCons] Fix implicit dependencies on 'build' step
The 'install' and 'test' targets had some undeclared dependencies on the 'build'
target, such that running 'scons install' or 'scons test' without having first
run 'scons build' would result in incomplete installation or test failures,
respectively.

Fixes #432.
2017-02-17 11:51:12 -05:00
Ray Speth
38d291c683 [Thermo] Fix reference pressure assumptions in VPSSMgr classes
The reference pressure (p0) must be species-specific, since for certain PDSS
classes (e.g. PDSS_Water) p0 is a function of temperature, while for other
classes (PDSS_ConstVol) it is a constant.

VPSSMgr_Water_ConstVol further assumed that the reference pressure for all
species was 1 atm, ignoring the setting in the PDSS object. Fixing this changed
test results for HMW_test_1 and HMW_test_3.

Added a test that specifically compares VPSSMgr_Water_ConstVol with
VPSSMgr_General.
2017-02-13 13:25:46 -05:00
Ray Speth
7673f7cb52 Remove code deprecated in Cantera 2.3.0 2017-02-12 19:22:33 -05:00
Ray Speth
5861bc174d [Test] Remove unused files from test_problems directory 2016-11-14 00:16:34 -05:00
Ray Speth
583b715fca [Test] Remove obsolete note on limitation for surfSolver test input 2016-11-11 23:06:35 -05:00
Ray Speth
deeb6198a0 [Test] Add test of clib 2016-11-04 19:15:07 -04:00
Ray Speth
ecbfecd7fd Replace existing copyright notices with uniform copyright/license info 2016-10-10 22:19:01 -04:00
Ray Speth
4582e724ee Eliminate compiler warnings issued by Visual Studio 2015 2016-07-30 23:09:17 -04:00
Ray Speth
92ae2bdfba [Test] Remove unused diamondSurf_dupl test 2016-07-29 18:57:29 -04:00
Ray Speth
ac7a9bd238 Deprecate copy constructors for eventually-noncopyable objects
The following classes (and their children) will be non-copyable and
non-assignable after Cantera 2.3:
  - ThermoPhase
  - Kinetics
  - Transport
  - Species
  - SpeciesThermoInterpType
  - MultiSpeciesThermo
  - VPSSMgr
  - PDSS
  - ResidJacEval
  - RootFind
2016-07-29 18:57:29 -04:00
Ray Speth
0f71bbcec5 [Thermo] Replace numerical constants for ThermoPhase types with strings
Deprecate ThermoPhase::eosType and related methods
2016-07-07 21:36:11 -04:00
Ray Speth
62524e8820 [Equil/Test] Fix failures involving use of global variables
Direct use of "global" variables defined in the shared library results in
inconsistent behavior.
2016-07-05 17:12:13 -04:00
Ray Speth
d4ddabc76c Use system-installed version of fmt library if available
Resolves #348.
2016-07-05 14:17:01 -04:00
Ray Speth
4e23793ebd Update fmt to version 3.0.0 and fix compatibility issues
Resolves #349.
2016-07-05 13:52:46 -04:00
Ray Speth
b7e1a5f0bd [Transport] Use correct scaling factor when fitting conductivity
Fixes #345
2016-06-20 19:07:56 -04:00
Ray Speth
14b9454819 [C++] Clean up of top-level headers
These headers should only include general functionality, i.e. base classes and
factory methods. Users working directly with derived types can include the
relevant headers directly.

Deprecate some top-level headers which are not really useful.
2016-05-14 16:10:10 -04:00
Ray Speth
70824559ce [Test/Equil] Update tests to sometimes use VCS 'estimate_equil' option 2016-04-14 21:51:53 -04:00
Ray Speth
155105c916 Update .gitignore 2016-04-13 21:11:04 -04:00