Commit Graph
7818 Commits
Author SHA1 Message Date
Bryan W. Weber 667a52d274 [Doc] Fix missing function for flow controllers
The flow controller base class added a new function in 2.5.0, which is
not overriden by the child classes. Make sure that this function is
documented.
2021-02-12 16:57:15 -05:00
Bryan W. Weber 15806ec400 [Doc] Fix Sphinx warnings about spacing and types 2021-02-12 16:57:15 -05:00
Bryan W. Weber 45c7b2bd27 [Doc] Thermo docstring formatting more consistent
- Use two backticks where links to methods/properties are not intended
- Move examples to be before the parameter list
- Consistently format parameter descriptions
2021-02-12 16:57:15 -05:00
Bryan W. Weber fbea55a64b [Doc] Fix Sphinx warnings for unintended unindent
It seems that one space and one tab character were causing warnings
from Sphinx about the docstring of equivalence_ratio. That is resolved
in this change and the example is moved to its more typical place above
the parameters.
2021-02-12 16:57:15 -05:00
Bryan W. Weber bb67472b70 [Doc] Update doxygen configuration
Doxygen was warning about unused options. The Doxyfile was updated by
running doxygen -u.
2021-02-12 16:57:15 -05:00
Bryan W. Weber 526c26e328 [Cython] Rename mixFrac argument
This changes the argument name from mixFrac to mixture_fraction, to be
more idomatic Python.
2021-02-12 16:57:15 -05:00
Bryan W. Weber d9506818f4 [CI] Cap maximum Sphinx version
Sphinx 4.0 (from the main branch) is incompatible with several
extensions we use (katex, matlabdomain). Set a maximum for the Sphinx
version installed during the CI run to avoid unintentional breakage.
2021-02-12 16:57:15 -05:00
Raymond Speth 4f265d11a7 [Doc] Fix missing Python class member documentation
Sphinx 1.8 deprecated the 'autodoc_default_flags' option. It appears
to have stopped working without warning in more recent versions.
2021-02-09 22:18:20 -05:00
Raymond Speth 6ce695d96d Bump version to 2.5.0
Update 'cantera-version' in all YAML files to correspond to the stable
release.
v2.5.0
2021-02-08 13:28:55 -05:00
Raymond Speth 94f641583f [Input] Add transitional ohmech-multi phase to h2o2.yaml
Matches the definition in h2o2.cti. Like what we are doing with the
gri30.cti -> gri30.yaml transition, this phase name is immediately
deprecated.
2021-02-08 13:28:55 -05:00
Raymond Speth aea1ff829e [SCons] Don't invite use of sudo to install 2021-02-08 13:28:55 -05:00
Raymond Speth d7b5eeb844 [SCons] Fix install path logic for minimal Python module
Handle the same special cases that we take care of for the full Python
module.

Fixes #969
2021-02-08 13:28:55 -05:00
Raymond Speth 1ef269cb1a [Doc] Add man pages for YAML conversion scripts 2021-02-08 13:28:55 -05:00
Raymond Speth 3bba25fa02 Fix 'execute' bit on SRI test data file 2021-02-08 13:28:55 -05:00
Raymond Speth b475012911 [SCons] Print installation location of minimal Python package 2021-02-08 13:28:55 -05:00
Raymond Speth b165daf075 [SCons] Sundials versions up to 5.7 have been tested 2021-02-08 13:28:55 -05:00
Raymond Speth 8ea37ee0fb [Python] Update shebang lines to specify Python 3 2021-02-08 13:28:55 -05:00
Raymond Speth 2ed1d27485 Bump version to 2.5.0rc1 v2.5.0rc1 2021-02-05 11:29:55 -05:00
Raymond Speth 0edaf316ac [SCons] Fix compilation of f77 sample with clang+gfortran
Compiling demo_ftnlib.cpp as a shared object (with -fPIC) fixes an
error about being unable to relocate some pthread-related symbol.
2021-02-05 11:29:55 -05:00
Raymond Speth c9811e8e0a [SCons] Suppress deprecation warnings caused by Cython
The deprecation warnings previously observed only on macOS are also
emitted when using Clang 10.0 on Linux. Also, despite supposedly being
resolved in Cython 0.29.14, I still get these warnings in Cython
0.29.21.
2021-02-05 11:29:55 -05:00
Ray Speth 2d6030853b Fix MinGW warning about CreateFile arguments 2021-02-05 11:29:55 -05:00
Ray Speth 072cb815ea [SCons] Don't compile Sundials Fortran interface
Cantera doesn't use this part of Sundials, and bundling all of these
files into the cantera library leads to linker errors when compiling
with MinGW and on macOS, due to redefinition of symbols like
'F2C_CVODE_matrix'.
2021-02-05 11:29:55 -05:00
Ray Speth f2e127eec2 Fix MinGW warning about NOMINMAX redefinition 2021-02-05 11:29:55 -05:00
Bryan W. Weber 185aa977af [Cython] Fix deprecation warning in NumPy 1.20
NumPy 1.20 deprecates numpy namespace aliases to built-in types, such as
int, float, and object. Explicit specification of the precision with
float64 is still supported and does not need to be changed. See:
https://github.com/numpy/numpy/releases/tag/v1.20.0 and
https://github.com/numpy/numpy/pull/14882
2021-02-03 11:55:42 -05:00
Raymond Speth dceb911dd2 [Test/Reactor] Adjust tolerance for species sensitivity test
Previous tightening of integration tolerances in 9832c88 seems to
generate integrator failures for some configurations.

Resolves #937
2021-02-02 14:08:15 -05:00
Raymond Speth b3f36860f1 [Input] Include species T-min and T-max in conversions to YAML 2021-01-29 21:35:40 -05:00
Raymond Speth 272398e6e1 [Test] Fix badly-formated floats in XML input files 2021-01-29 21:35:40 -05:00
Raymond Speth 8c0da723a2 [Input] Add T-min and T-max fields to YAML species thermo 2021-01-29 21:35:40 -05:00
Raymond Speth 692d8fadf4 [Thermo] Make default T_max for species infinity
For the constant-cp (ConstCpPoly) and piecewise-gibbs (Mu0Poly)
species thermo models, the default min and max temperature were both
zero. Because Cantera rarely checks these temperature bounds, use of
these defaults is fine in most cases, but causes confusing errors on
the rare occasions where the bounds are accessed, as in the "gibbs"
(MultiPhase) equilibrium solver.

Setting the default max temperature to infinity avoids these confusing
errors without introducing an arbitrary default value or the
requirement to always specify temperature limits.
2021-01-29 21:35:40 -05:00
Raymond Speth 81aa2c2938 Deprecate nasa.yaml
Prefer the more specific files nasa_gas.yaml and nasa_condensed.yaml
2021-01-29 21:35:40 -05:00
Raymond Speth ea9b2699ee [Thermo] Fix argument name for IdealGasPhase::setToEquilState
Completes update started in f5f12caa8
2021-01-29 21:35:40 -05:00
Raymond Speth 918368ea0a [Kinetics/Doc] Add missing minus signs in Plog docs
Corresponds to fix applied in Cantera/cantera-website#116
2021-01-29 21:35:40 -05:00
Ingmar Schoegl 85b8f23c35 Mark _allowGasPhase override as not intended for general use 2021-01-29 13:39:28 -05:00
Ingmar Schoegl f092244bec [thermo] Avoid spurious WaterPropsIAPWS::density failures
Some initial guesses fail (see GitHUb issue #577, or starting with an initial
density guess equl to the critical density); running an alternative initial
guess prevents spurious failures (fix is a band-aid).
2021-01-29 13:39:28 -05:00
Ingmar Schoegl ac1274fa0a [thermo] Finalize liquid-water-IAPWS95 updates 2021-01-29 13:39:28 -05:00
Ingmar Schoegl 25dc38e997 [thermo] Clarify WaterSSTP::type 2021-01-29 13:39:28 -05:00
Ingmar Schoegl 4ba894df55 [thermo] Add IAPWS as alternative backend to existing Water wrapper
While the current 'liquid-water-IAPWS95' thermo model only implements liquid
(and supercritical) states, the underlying IAPWS formulation can be extended
beyond in future revisions.

- avoid 'liquid' as part of the nomenclature
- YAML phase name is updated to `water-iapws95`
- Instead of creating a new wrapper, `iapws95` is added as an alternative
  backend to the existing `Water` class
2021-01-29 13:39:28 -05:00
Ingmar Schoegl 1880e2402c [thermo] Implement phaseOfMatter for WaterSSTP class 2021-01-29 13:39:28 -05:00
Ingmar Schoegl fe7bd2101f [unittests] Add/update tests for LiquidWater object 2021-01-29 13:39:28 -05:00
Ingmar Schoegl f3e2a940fb [thermo] Implement allowGasPhase override for WaterSSTP 2021-01-29 13:39:28 -05:00
Ingmar Schoegl 7783e31447 [thermo] Ensure that WaterPropsIAPWS::density works for critical point 2021-01-29 13:39:28 -05:00
Ingmar Schoegl 9ae29ab796 [thermo] Ensure that WaterSSTP satisfies model assumptions 2021-01-29 13:39:28 -05:00
Ingmar Schoegl 4244fa8ea4 [thermo] Improve documentation of WaterSSTP helper classes
Co-authored by: Shekhar Shukla <47356149+24sharkS@users.noreply.github.com>
2021-01-29 13:39:28 -05:00
Ingmar Schoegl c7c16fa2f3 Minor formatting changes 2021-01-29 13:39:28 -05:00
Ingmar Schoegl ec5d0f5932 [thermo] Update docstrings for PureFluid convenience wrapper classes
- Docstrings are updated to include information already available
  in MATLAB (or C++ base classes)
2021-01-29 13:39:28 -05:00
Ingmar Schoegl 2c5eae019b [thermo] Add convenience class for liquid-water-IAPWS95 2021-01-29 13:39:28 -05:00
Raymond Speth 7f9a5897a1 [Equil] Fix indexing error in VCS_SOLVE::vcs_prep
Partially resolves #901

When counting the total number of moles using the MultiPhase, its
count of elements must be used instead of the count in the VCS_SOLVE
object, because the latter sometimes has additional fictitious
elements used for handling charge neutrality constraints.
2021-01-26 14:00:33 -05:00
Raymond Speth ff6a2bf0d9 [1D] Fix Domain1D::save when compiling with GLIBCXX_ASSERTIONS
Partially resolves #901
2021-01-26 14:00:33 -05:00
Raymond Speth e8194afeb6 [1D] Fix error when compiling with GLIBCXX_ASSERTIONS enabled
If the rightmost domain has no solution components of its own, calling
functions which need a pointer to the "local" portion of the solution
vector by taking &m_x[domain(n).loc()] gives a pointer just past the
end of m_x, but this pointer is not used in the function called.

Adding a special case for this to OneDim::start avoids having this be
reported as an error when using bounds checking features like those
enabled by the _GLIBCXX_ASSERTIONS preprocessor macro.

Partially resolves #901
2021-01-26 14:00:33 -05:00
Raymond Speth 68d85229d4 Add N2 to h2o2.yaml
This makes it possible to use the h2o2 mechanism with air as the oxidizer.
2021-01-24 22:07:55 -05:00