* 'name' corresponds to the YAML entry
* rename Solution keyword 'phaseid' to 'name' (instead of 'phase_id')
* rename ck2yaml argument '--id' to '--name' (instead of '--phase-id')
* ensure that C++ Phase::m_id is always the same as Phase::m_name
* rename C++ object to 'Solution' (from 'SolutionBase')
* remove 'phaseID' from 'Solution' ('id' remains assigned to 'Phase')
* remove 'type' from C++ object (no polymorphism anticipated)
* assign 'name' to 'Solution' (link back from 'Phase' until deprecated)
* clarify 'phase' as 'phase_id' in Python interface
* address various feedback in review comments
* Clarifies the meaning of ID
* Creates a PEP8 compliant attribute that does not conflict with
a built-in function name that is also consistent with the YAML entry.
* Change associated member function names in C++ SolutionBase
* Deprecate `ID` in Python (to be removed after Cantera 2.5)
* Add Base.h/Base.cpp with definition of SolutionBase
* Link C++ object into Cython interface
* Add unique_name and type attributes to Cython _SolutionBase
This commit implements new methods for SolutionArray:
* `restore_data` can restore data previously exported by `collect_data`
* `read_csv` restores data previously saved by `write_csv`
* unit tests are added for SolutionArray's based on ThermoPhase and PureFluid
* setter for `PureFluid.TPX` property is added to allow for automatic
restoration of consistent thermodynamic data
* alternative to 'TP', 'TX' or 'PX' which may not uniquely describe
a valid thermodynamic state
* add unit test
Further:
* revert unit tests to previous species definitions (some case mis-matches)
* remove non-essential comments
* opt to maintain case-sensitive species maps with lowercase as fallback
* store species information with case sensitive names
* retain lookup for non-case sensitive species names, e.g. Phase::speciesIndex
* implement flag that enforces case sensitive species names as a member
variable of Phase
* add exception handling for species that are not uniquely defined unless case
sensitive (e.g. Cs and CS in nasa.cti if cs is specified and case sensitivity
is not enforced)
* deprecate Phase::species(std::string&)
Solving with auto=True and then solving with auto=False would leave the domain
width check in place, but without the logic for automatically increasing the
domain width, resulting in unexpected solver failures.
* The commit implements saving of data extracted from SolutionArrays
to HDF containers using pandas infrastructure.
* Two methods are introduced: `write_hdf` and `to_pandas`.
* Both methods only work if the pandas module can be imported; an
exception is raised only if the method is called without a working
pandas installation.
* differentiated Valve::setValveCoeff from PressureController::setPressureCoeff
and introduced MassFlowController::setMassFlowCoeff for consistency.
* introduced FlowDevice::setTimeFunction and FlowDevice::setPressureFunction to
differentiate time-dependent and pressure-dependent functions.
* introduced arbitrary pressure dependence for PressureController
* deprecated FlowDevice::setFunction which is replaced by time and pressure
specific functions.
* introduced properties Valve.valve_coeff / PressureController.pressure_coeff /
MassFlowController.mass_flow_coeff in Cython interface and deprecated
Valve.set_pressure_coeff / PressureController.set_pressure_coeff
* deprecated corresponding function calls in clib interface
* deprecate FlowDevice.setParameters (which was only used by MATLAB interface)
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.
The '${python_prefix}' substring for installation prefix path
was accepted as mapping key for '.format()' function resulting in
a 'KeyError' failure of 'cantera/interfaces/cython/SConscript' script
in case of `env[libdirname] == 'lib64'`.
Moreover the early applied pull request[1] didn't take into account
the additional setting of installation prefix path in the cases
when 'libdirname' takes values different from 'lib64'.
This patch resolves both those issues.
[1]: https://github.com/Cantera/cantera/pull/661
* 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
