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Description
Problem
Currently, post #237, we only have either the option to save the morph or difference curve, not both.
Proposed solution
This requires a conversation about what the file names should be, and how the return of the morph function should be handled.
In diffpy.utils
, we have the option to return either the header information or the data table, but not both. This was the result of a conversation where we did not want to confuse the user with a changing shape of returns given options.
For morph
, I do think it is fast enough to recompute the diff/morph using the apply
since the only real roadblock to computation time is refining. I.e. once you do morph_params, diff_table = morph(..., get_diff=False)
, you can just insert the morph_params
into the new call _, morph_table = morph(..., **morph_params, get_diff=True, apply=True)
to quickly obtain the morph.
As such, #237 will maintain the either or return until after we have this discussion.