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New fitting structure in Dev

 

I have at least basic fitting hooked up with the new scattering infrastructure in the dev codebase.

A couple of examples of using this are holopy/tests/test_fit.py. Superposition fitting and fitting using openopt solvers are at least nominally working.

The new code does not use input decks at the moment, you just call a fit function and pass it your guess, limits, choice of fitting algorithm, etc. This should be a much more flexible way of doing things, if people still want input decks, I think a front end which accepts them would be relatively easy to write. The new interface may be elegant enough that you can just use simple python scripts as your batch files.

I just made a bunch of decisions about how to do things like parameter limits, what values are returned, how parameters are scaled, ..., if anyone has better suggestions, I am happy to hear them.

Tom