Commit graph

7115 commits

Author SHA1 Message Date
Ingmar Schoegl
77295b2103 Update AUTHORS list 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
Bryan W. Weber
ed59ae9516 [Samples] Update to not use PureFluid wrapper
Update rankine.cpp sample to avoid using the deprecated PureFluid wrapper
classes. Update the small changes in the blessed output.
2019-07-30 13:24:11 -04:00
Bryan W. Weber
386c215b3b [Thermo] Deprecate PureFluid, use PureFluidPhase instead
The convenience wrapper PureFluid class can be replaced by
PureFluidPhase::initThermoFile or other methods of creating ThermoPhase
instances.
2019-07-30 13:24:11 -04:00
Ray Speth
409227cd05 [CI] Make test errors show up as CI failures for macOS builds 2019-07-30 13:24:11 -04:00
Bryan W. Weber
5f08b362aa
[CTI/YAML] Check convert arguments in cti2yaml
Check that one, and only one, of the filename/text arguments are
specified.
2019-06-29 17:02:41 -04:00
Bryan W. Weber
27438751ce
[CTI/YAML] Change cti2yaml to use pathlib
cti2yaml converts input and output file names to pathlib.Path objects.
This makes it easier to manage paths for test data files
2019-06-29 17:02:41 -04:00
Bryan W. Weber
8d57424188
[Test] Write converted test files to the work dir
The previous behavior was to write the test files to the current working
directory
2019-06-29 17:02:41 -04:00
Bryan W. Weber
2e54811549
[Test] Remove relative directory for data files
The relative directory wasn't the same for the installed Cython
interface
2019-06-29 17:02:41 -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
Bryan W. Weber
a4ad2f5d66
[Cython/Test] Install test subdirs in Cython interface
The tests now include subdirectories with data files, so those should be
installed with the rest of the data files
2019-06-29 17:02:41 -04:00
band-a-prend
674c37ce3c cantera: Sconstruct 'libdirname' env PathVariable
Some distributions (e.g. Fedora/RHEL) use 'lib64' instead of 'lib'
on 64-bit systems or could use some other library directory name
instead of 'lib' depends on architecture and profile
(e.g. Gentoo 'libx32' on x32 profile).
If user didn't set 'libdirname' configuration variable then
set it to default value 'lib'

This commit is related to early closed issue:
https://github.com/Cantera/cantera/issues/318
2019-06-28 15:25:41 -04:00
Ray Speth
c840142bff Bump version to 2.5.0a3 2019-06-27 18:29:21 -04:00
Steven DeCaluwe
2d2004da7e Exposing getDeltaEnthalpies to Matlab interface.
The general intent here was to enable calculating reaction enthalpies in the
Matlab toolbox, as part of the li-ion battery simulations in PR #563.

This required several changes:

- Create getDeltaEnthalpies.m in Matlab toolbox/@Kinetics, as well as similar
methods for Gibbs free energy and entropy of reaction
- Add kin_getDelta to kineticsmethods.cpp.
- Add getPartialMolarEnthalpies to metalPhase class (it returns all zeros).

Note that similar methods are not enabled for the corresponding
'Standard State' methods, for the time being.  Mainly because it is
difficult for me to envision a significant use case, but also because of
some lingering confusion between 'standard' and 'reference' states in
Cantera's codebase.
2019-06-27 18:03:07 -04:00
bryanwweber
8502d18ff7 Initialize m_units in AnyMap default constructor
Without this initialization, VS2017 (VC 14.1) complains there is a missing default constructor for UnitSystem.
2019-06-27 16:00:01 -04:00
bryanwweber
946ed901a0 Bump yaml-cpp submodule commit
For VS2017, we need fixes from jbeder/yaml-cpp#597 to compile the submodule
2019-06-27 16:00:01 -04:00
Ray Speth
a247d0f4eb [Reactor] Use correct phase state after mass flow rate evaluation
A user-defined mass flow rate function can modify the ThermoPhase object used by
a reactor, for example if it depends on calculating some property of a different
reactor. To make sure that the reactor governing equations are evaluated
correctly, the ThermoPhase state needs to be set after all user-defined
functions have been called.
2019-06-27 10:47:05 -04:00
Ray Speth
edcc9c59fd [Input] Fix CTI to YAML conversion of phases with no elements 2019-06-26 20:20:23 -04:00
Steven DeCaluwe
67087f874d Updating matlab Li ion battery sample.
Corrected one typo (stray mid-line comment symbol) and converted
hard-coded faraday constant to the corresponding Matlab toolbox function
(added with PR #640).
2019-06-26 20:20:23 -04:00
wbessler
cceb12b01b Further improved Li-ion battery example
MATLAB example: better comments, faster calculation, consistent signs; CTI file: thermally-activated kinetics
2019-06-26 20:20:23 -04:00
wbessler
bc6dd4ddc0 Improved lithium-ion battery cti file and Matlab example
Extended and clarified comments, corrected density data, improved functionality
2019-06-26 20:20:23 -04:00
Ingmar Schoegl
ae792dde00 implemented limited advance step 2019-06-26 13:48:01 -04:00
Ingmar Schoegl
bbab606a20 take care of uninitialized value warning during compilation 2019-06-26 13:48:01 -04:00
Bryan W. Weber
360ac9b79e Copy editing for YAML docs
Improve consistency of formatting. Eliminate duplicate hyperlink targets
by making them anonymous links.
2019-06-25 23:31:23 -04:00
Ray Speth
dced8fbcad [Test] Make testing of deprecated methods possible
Fatal deprecation warnings are useful for identifying inadvertent use of
deprecated features. However, we still want to retain tests of deprecated
features until those features are removed.
2019-06-25 22:30:59 -04:00
Ray Speth
df5a3ae08f [Test] Fix inadvertent reset of "fatal deprecation warnings" flag
Calling appdelete() to erase the input file cache also resets the value of
Application::m_fatal_deprecation_warnings to false.
2019-06-25 22:30:59 -04:00
Ray Speth
a573b32770 [CI] Move Ubuntu builds from 14.04 (Trusty) to 16.04 (Xenial) 2019-06-25 22:30:59 -04:00
Ray Speth
2e8b860ccd [Input] Check for reactions with multiple sets of parameters 2019-06-25 22:30:59 -04:00
Ray Speth
d705ff760a [Input] Fix Species.listFromYaml when reading from a subsection 2019-06-25 22:30:59 -04:00
Ray Speth
674701b0c2 [Samples] Fix include path for compiling C++ samples with 'scons samples' 2019-06-25 22:30:59 -04:00
Ray Speth
f2f05e5ed1 [CI] Use Miniconda instead of Homebrew for macOS dependencies
Installation of Homebrew packages fails when the brew version in the Travis
image gets too far out of date, but updating Homebrew as part of the CI builds
takes ages and frequently fails. The best solution seems to be to just not use
it in the first place.
2019-06-25 22:30:59 -04:00
Ray Speth
165f11dfca [Input] Add information about conversion to generated YAML input files 2019-06-25 22:30:59 -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
a7aa6e721a Create YAML versions of input files as part of build process 2019-06-25 22:30:59 -04:00
Ray Speth
baacc563b8 [Input] Add cti2yaml for converting CTI files to the new 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
53faf54ceb [Thermo] Add ThermoPhase.standardConcentrationUnits method
This method returns the units of the concentration-like terms appearing
in rate expressions, and are needed in order to convert rate constants
from user-specified input units to Cantera's MKS+kmol system.
2019-06-25 22:30:59 -04:00
Ray Speth
0b04881b8d [Input] Handle "declared-species" option for adding reactions from YAML 2019-06-25 22:30:59 -04:00
Ray Speth
69371e5751 [Python] Implement Reaction constructors from YAML files/strings 2019-06-25 22:30:59 -04:00
Ray Speth
8037497dd3 [Python] Implement Species constructors from YAML files/strings 2019-06-25 22:30:59 -04:00
Ray Speth
040ffe4711 [Doc] Add comments to AnyMap and AnyValue classes 2019-06-25 22:30:59 -04:00
Ray Speth
891a4e74d3 Make YAML generated by ck2yaml prettier 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
d66abc5234 [Doc] Add API documentation for the YAML input format 2019-06-25 22:30:59 -04:00
Ray Speth
672b55a72f Add AnyValue::getMapWhere function 2019-06-25 22:30:59 -04:00
Ray Speth
d77a5979a8 [Input] Provide context for more errors in YAML processing 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