Commit Graph
838 Commits
Author SHA1 Message Date
Gandhali Kogekar d12f11a952 Modifications to the test outputs 2023-06-22 17:18:47 -04:00
Ray Speth 2eccea007c [SCons] Avoid unnecessary shared library linkage
Applications do not need to link directly to Cantera's dependencies
when linking to the Cantera shared library
2023-06-21 09:09:15 -04:00
Ray Speth cdc52ca37b [Test] Relax tolerances for f77-demo test
Resolves #1393
2023-06-21 09:09:15 -04:00
Ray Speth 707c569a3d [Kinetics] Deprecate reacting phase not in first position
Standardize on the behavior implemented by the newSolution and
newInterface constructors.
2023-04-21 18:44:56 -05:00
Ray Speth 3e07f34f4f Update gitignore 2023-04-18 09:33:15 -05:00
Ray Speth 23ebd13dbf Deprecate XML-era transport names 'Mix' and 'Multi'
Fixes #1425
2023-03-13 22:58:24 -05:00
Ray Speth fde6650a0b Deprecate most XML-era model names 2023-03-13 22:58:24 -05:00
Ray Speth a69206c724 Deprecate unused methods of class ThermoPhase 2023-03-13 22:58:24 -05:00
Ray Speth d1a57424d7 Deprecate unused methods of class Phase 2023-03-13 22:58:24 -05:00
Ingmar Schoegl 5cd3d8a29a [test_problems] Remove checks for legacy VS versions
_MSC_VER < 1900 corresponds to 1800 and earlier, which is
VC++ version 12.0 (Visual Studio 2013). Cantera now uses the C++17
standard, with the current minimum requirement VC++ version 14.1
(Visual Studio 2017).
2023-03-10 13:39:22 -06:00
Ingmar Schoegl df5fa549ff [SCons] Redirect test-clib-demo 2023-03-10 13:39:22 -06:00
Ingmar Schoegl 32a6aa43e6 [samples] Move clib-demo to samples/clib/demo.c 2023-03-10 13:39:22 -06:00
Ray Speth 5d247d0031 Fix assertions in clib_test 2023-03-09 11:01:23 -06:00
Ray Speth 7a69a67f2c Make use of make_unique
Also use make_shared more consistently
2023-03-09 11:01:23 -06:00
Ingmar Schoegl 1f16bf247e [unittest] Implement gtest for 'test-clib'
Unit tests cover 'clib' from within C++ googletest code
- port test-clib to google tests
- rename pre-existing version to test-clib-demo
- add tests indirectly probing SharedCabinet
- add tests for Solution access routines
- add tests for ctonedim
2023-03-06 18:02:07 -06:00
Ingmar Schoegl dd8dba2bca [test-problems] Replace legacy factory methods 2023-03-06 18:02:07 -06:00
Ingmar Schoegl be392931fa [Transport] Deprecate legacy factory constructors 2023-03-06 18:02:07 -06:00
Ingmar Schoegl 34989299d2 [test-problems] Fix clib-test.c
Mole fractions have to be set before T and P; otherwise, the pressure
changes. Before the change, the pressure was significantly lower than
5 atm. Also fix incorrect use of 'kin_newFromFile', which causes
unintended linkages to default objects that do not raise exceptions
but may lead to erroneous results.
2023-03-06 18:02:07 -06:00
Ray Speth 1c5595e16c [SCons] Consolidate addition of build/lib to search path 2023-02-02 18:33:16 -06:00
Ray Speth 081f434cf6 [SCons] Link tests and samples to shared library on Windows 2023-02-02 18:33:16 -06:00
Ingmar Schoegl 71554f1ba9 [samples] Add Sim1D::save to cxx flamespeed sample 2023-01-12 14:05:37 -05:00
Ray Speth f6744eca05 Make dimensionalization of IAPWS95 EOS consistent
The nondimensional EOS should always be dimensionalized to a mass
basis using the value of R given in the original source. Values on
a molar basis can then be computed consistently using the best available
value for the molecular weight of water.

Partially resolves #1315
2022-09-25 16:54:39 -04:00
Ingmar Schoegl 009342ab33 [samples] Add missing F77 samples to SCons and unit tests 2022-08-30 22:32:57 -05:00
Ingmar Schoegl 1472703cbd [SCons] Remove Cygwin support
Cygwin support is untested and Cygwin has uncertain usage for Cantera.
Modern replacements such as the Windows Subsystem for Linux v2 (WSL2)
should be used instead.
2022-08-24 21:26:29 -05:00
Sammo Gabay 0674273f63 Correct flushing logic in ExternalLogger 2022-08-17 10:39:54 -04:00
Ingmar Schoegl 7717daa79e Update test_problems/.gitignore 2022-08-09 10:48:25 -04:00
Ingmar Schoegl c1ca2d6fb2 Remove interfaces/*/.gitignore 2022-08-09 10:48:25 -04:00
Ray Speth 9747fe8c9c Fix incorrect name/label in F90 sample 2022-08-09 06:51:27 -05:00
Ray Speth 43d2241423 Make volume of SurfPhase consistent with h = u + P*v
Defines molar volume to be zero. Density remains defined as being
per unit area or length, depending on the dimensionality of the phase.

Also fixes setting surface composition using mass/mole fractions so
that the sum of concentrations always equals the site density.

Partially resolves #1312
2022-08-09 06:51:27 -05:00
Ray Speth e06ad6ba80 [Thermo] Fix calculation of IdealMolalSoln::intEnergy_mole 2022-06-10 08:57:44 -05:00
Ray Speth 7e0f469eab Remove deprecated code slated for removal after Cantera 2.6 2022-05-25 04:02:58 -04:00
Ray Speth 2bd70c8e59 Remove CTI/XML from C++ 2022-05-25 04:02:58 -04:00
Ray Speth 98b0383c74 Remove XML/CTI format from Python interface 2022-05-25 04:02:58 -04:00
Ray Speth fca204f11f [Fortran] Enable creating surfaces from YAML
Add an example of importing an interface phase / kinetics to the
F90 demo program
2022-05-25 04:02:58 -04:00
Ingmar Schoegl dfbbf8f13b [Samples] Move sample input file to sample/data folder
LiC6_electrodebulk.yaml was the only file in data/sample-data. Moving this file
to samples/data mimics the input file location for the jupyter repository.
2022-03-03 09:07:17 -05:00
Ingmar Schoegl ec44c6ef60 [Input] Transfer description from CTI/XML to YAML 2022-03-03 09:07:17 -05:00
Tim Gallagher 80e93621fe [Fortran] Updated the blessed solution for the f90_demo to include new output. 2022-01-19 11:28:15 -05:00
Ray Speth d790e26953 Update C++ tests to use new adjacent phase handling 2022-01-18 18:06:02 -06:00
Ray Speth 7785d6cf0e Add Interface class as a specialized version of Solution
This class provides access to the thermo and kinetics objects as the
correct derived types, i.e. SurfPhase and InterfaceKinetics, so
methods defined only for these derived types can be called easily.
2022-01-18 18:06:02 -06:00
Ray Speth 4c82acc60d [Test] Remove redundant blessed output files 2022-01-18 18:06:02 -06:00
Ray Speth 566edf5c63 Make CTI/XML deprecation warnings noisy 2022-01-05 17:36:04 -05:00
Ray Speth da12213969 [Test] Impove consistency of VCS-LiSi-verbose output 2021-12-22 13:22:06 -05:00
Ray Speth a57cb46a59 [Test] Relax some test tolerances
This allows the test suite to pass even when using unsafe math optimizations
2021-12-22 13:22:06 -05:00
Ray Speth 78190ddbff [Doc] Fix warnings about '@TODO'
Doxygen only recognizes lowercase '@todo'.

This commit also changes instances of @TODO that aren't actually read
by Doxygen, such as ones in Python files or ones inside C++ methods to
standardize use of the lowercase version in the places where it does
matter.
2021-12-04 22:24:52 -06:00
Ray Speth 6d2760b76c [Transport] Fix evaluation of delta-star polynomials
Some polynomial coefficients were fit to 6th order polynomial but only
evaluated as 5th order polynomials, using the first 6 coefficients of
the 7 fitted coefficients. This changes the evaluation to use all of
the fitted coefficients.

Fixes #1070
2021-10-19 21:50:18 -04:00
Mark E. Fuller be9511834f revise test comparisons for updated cxx and fortran examples 2021-10-01 15:47:12 -05:00
Ingmar Schoegl 594b5b9e24 [Unittests] Resolve unused variable warning in test-surfSolver2
Resolve GNU g++ warning:

warning: unused variable 'p' [-Wunused-variable]
2021-09-17 11:33:57 -04:00
Ray Speth b3f1a73663 [Test] Skip conversion tests if no Python package is being built
Converting between different mechanism formats require at least
the "minimal" Python package to be built.
2021-09-16 21:00:45 -04:00
Ray Speth e0b3823c10 [Test] Replace XML with YAML input for additional test_problems tests 2021-06-19 16:11:26 -06:00
Ray Speth 28fe892fb4 [Test] Remove silane_equil test
Basic gas-phase equilibrium is more thoroughly exercised by the GTest
and Python test suites.
2021-06-19 16:11:26 -06:00