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Create CleanSpectra class #153

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niekdejonge opened this issue Oct 18, 2022 · 0 comments
Open

Create CleanSpectra class #153

niekdejonge opened this issue Oct 18, 2022 · 0 comments
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code structure E.g converting functions to a class without changing functionality

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@niekdejonge
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Currently we have multiple functions for cleaning spectra.

Proposed change: Make a class CleanSpectra
The class should take spectra in as input. Instead of passing spectrum_list from function to function. This object should be stored.
The methods involved in cleaning spectra should be stored.

The class should keep track of all the cleaning steps applied to the original spectra set. This makes it possible to keep track of all the steps performed, reduces risks of wrong steps and should store all the settings used for the filtering and the order.

Currently we have separate functions for cleaning query spectra and library spectra, it would be good to combine this.

Might be a good to add a CleanSpectra class to matchms directly as well.

@niekdejonge niekdejonge added the code structure E.g converting functions to a class without changing functionality label Oct 18, 2022
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