Deprecate all instances of gri30_mix and gri30_multi #736
Description
Cantera version
2.5.0a3
Operating System / Python/MATLAB version
all
Expected Behavior
The gri30_mix and gri30_multi phases are deprecated and are not part of all gri30.yaml versions (the version in test/work/python defines those, the default version does not). For consistency, all instances should be removed for 2.5, as the transport model can be specified using a flag. I.e. the differentiation of transport models in phases is largely obsolete:
In [1]: import cantera as ct
In [2]: gas = ct.Solution('gri30.yaml', 'gri30_multi')
CanteraError:
***********************************************************************
InputFileError thrown by AnyValue::getMapWhere:
Error on line 16 of /usr/local/lib/python3.6/dist-packages/cantera/data/gri30.yaml:
List does not contain a map where 'name' = 'gri30_multi'
[...]
***********************************************************************
In [3]: gas = ct.Solution('gri30.xml', 'gri30_multi')
In [4]: gas.composite
Out[4]: ('IdealGas', 'Gas', 'Multi')
In [5]: gas = ct.Solution('gri30.yaml', transport_model='Multi')
In [6]: gas.composite
Out[6]: ('IdealGas', 'Gas', 'Multi')Questions
There are two questions:
- it is not straight forward to completely remove the
gri_mixandgri_multiphases, as they may be widely used in user-developed code. Should there be a customized error message (or warning)? - the default behavior should be clarified: will the transport model default to
mixture-averagedor should no transport manager be instantiated if thetransport_modelflag is not used? (i.e. under many circumstances, the transport manager is not used)
Actual Behavior
gri30.yaml are not consistent, i.e. some have hand-coded entries.
Deprecating gri30_mix is straight-forward (it is replacable by gri30):
$ find . -type f | xargs grep 'gri30_mix'
./samples/cxx/flamespeed/flamespeed.cpp: IdealGasMix gas("gri30.cti","gri30_mix");
./test_problems/clib_test/output_output.txt: gri30_mix:
./test_problems/clib_test/output_blessed.txt: gri30_mix:
./test_problems/clib_test/clib_test.c: int thermo = thermo_newFromFile("gri30.xml", "gri30_mix");
./test_problems/clib_test/clib_test.c: int kin = kin_newFromFile("gri30.xml", "gri30_mix", thermo, 0, 0, 0, 0);
./test_problems/mixGasTransport/mixGasTransport.cpp: IdealGasMix g("gri30.xml", "gri30_mix");
./test_problems/multiGasTransport/multiGasTransport.cpp: IdealGasMix g("gri30.xml", "gri30_mix");
./test/matlab/TestImport.m: gas = Solution('gri30.xml', 'gri30_mix');
./test/work/python/gri30.yaml:- name: gri30_mix
./include/cantera/kinetics/importKinetics.h: * ok = buildSolutionFromXML(root, "gri30_mix", "phase", th, kin)
./interfaces/matlab/toolbox/GRI30.m: s = Solution('gri30.xml', 'gri30_mix');
./interfaces/cython/cantera/examples/onedim/flamespeed_sensitivity.py:gas = ct.Solution('gri30.xml', 'gri30_mix')
./interfaces/cython/cantera/examples/onedim/flame_fixed_T.py:gas = ct.Solution('gri30.xml', 'gri30_mix')
./interfaces/cython/cantera/examples/onedim/diffusion_flame.py:gas = ct.Solution('gri30.xml', 'gri30_mix')
./interfaces/cython/cantera/data/gri30_highT.yaml:- name: gri30_mix
./interfaces/cython/cantera/data/gri30_highT.cti:ideal_gas(name = "gri30_mix",
./interfaces/cython/cantera/data/gri30.cti:ideal_gas(name = "gri30_mix",
./data/inputs/gri30_highT.cti:ideal_gas(name = "gri30_mix",
./data/inputs/gri30.cti:ideal_gas(name = "gri30_mix",
[...]
There aren't many instances of gri30_multi:
$ find . -type f | xargs grep 'gri30_multi'
./test/work/python/gri30.yaml:- name: gri30_multi
./interfaces/matlab/toolbox/GRI30.m: s = Solution('gri30.xml', 'gri30_multi');
./interfaces/cython/cantera/data/gri30_highT.yaml:- name: gri30_multi
./interfaces/cython/cantera/data/gri30_highT.cti:ideal_gas(name = "gri30_multi",
./interfaces/cython/cantera/data/gri30.cti:ideal_gas(name = "gri30_multi",
./data/inputs/gri30_highT.cti:ideal_gas(name = "gri30_multi",
./data/inputs/gri30.cti:ideal_gas(name = "gri30_multi",
[...]
Steps to reproduce
- use newest development version (compiled from source)