Shell script should offer specification of output filename

[cortner]

Currently the shell script works as follows

julia --project=. runfit.jl -p model_spec.json

with the output file specified in model_spec.json. There should be another argument that overrides the output file spec, e.g.

julia --project=. runfit.jl -p model_spec.json -o result.json

[cortner]

@iamveronika -- could you make a PR that adresses this?

[cortner]

maybe coordinate with @CheukHinHoJerry - to see how he envisions using the runfit script.

[CheukHinHoJerry]

julia --project=. runfit.jl -p model_spec.json -o result_folder seems to be the best for me, and then maybe primarily in the output section of model_spec.json we can support a few easy tests

  "output": {
    "model": "opted_model",
    "dimer": false,
    "error_table": true,
    "scatter_error": false
  }

and we output everything into result_folder together with the data needed to reproduce those plots in a result_folder/result.json file.

[cortner]

and maybe the default model filename can just be model.json, unless otherwise specified in the model specification dictionary?

[cortner]

I think something like this will be great.

[cortner]

and can we take a default output folder to be result_model_spec where model_spec is the input filename? (of -o is not specified)

[CheukHinHoJerry]

yes same thought, i will create a PR after finishing this items.

[cortner]

great, please make sure to merge latest main into your branch.

[cortner]

Now addressed by #254