Add extra quantities to output IDS

[MateoBell]

Mapping of some quantities which are not directly available on cell_plus_boundaries grid: j_parallel_total, j_parallel_ohmic, j_non_inductive, Z_avg for impurities and impurity_density_scaling factor.
IDS requires all profiles_1d to be on the same grid, therefore these quantities needed to be computed on the cell_plus_boundaries grid.

Question

To extend them, neighbouring values were copied as boundary values. Other possibility could be to use linear / polynomial extrapolation. What choice should be made for these quantities ?

Fixing wrongly mapped quantities:

• core_profiles j_total and j_bootstrap corresponds to their parallel current density. It was previously mapped from the toroidal values.

Newly mapped quantities:

• currents: j_ohmic, j_non_inductive, j_phi
• pressure for all ions
• impurities data: z_ion_1d, n_impurity, n_i_volume_average

[Nush395]

@jcitrin could you comment on some of the boundary value extrapolations done here?

[soham77-ss]

I’ve reviewed the changes in the imas_output_core_profiles_extra_quantities branch. The newly mapped quantities and corrections to parallel currents look good. A few points to consider:

• Confirm that boundary values copied for extrapolation are appropriate; linear or polynomial extrapolation could be considered if higher accuracy is needed.
• Ensure all profiles_1d are consistent on the cell_plus_boundaries grid as required by IDS.
• Resolve the merge conflicts before merging.

[jcitrin]

Sorry this took so long to review!

[jcitrin]

apologies if you already have this. But it would be great to unit test such functions with "round trip" calculations from IMAS --> TORAX --> IMAS

[MateoBell]

There is one TORAX -> IMAS -> TORAX but indeed it could be useful to have it also the other way around to test other quantities. Will try to add it !

[tamaranorman]

Apologies this seems to have fallen through the net. Can you rebase and then someone will take a look