Refactor main script #9
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As a step towards making the web interface of LyoPRONTO easier to update, refactor the
main.pyso that the bulk of the logic is encapsulated inside LyoPRONTO as a package.Some things still to document, and possibly some more to add as kwargs. This should get rebased to add unit tests from #6 , so that I have actually kept the old API.
This does introduce a possibly-breaking change of replacing
'Y'and'N'strings withTrueandFalse, which feels like a no-brainer to me. Other aspects of the API are kept constant, I think.Still would like to add a YAML representation of the input parameters, to replace the current CSV representation.