We could add a super general purpose estimator that integrates the pybaseline package for elaborate baseline correction. The package is great and offers a variety of baseline algorithms, among them erPLS for automated selection of the smoothing parameter.
However, it is purely function-based and this is where chemotools comes in.
🧑💻 Implementation Details
If we keep a general estimator like
PyBaselineCorrection(algorithm, algorithm_kwargs)
we could integrate the full package with just a single estimator.
We can make the algorithm_kwargs dictionary- and also dataclass-based because the latter does not require the user to look at two documentations of two packages at the same time 🤔 In case we like an algorithm a lot, we can consider transitioning this to its own dedicated estimator.
It will be a lof of tedious copying of specifications, but if that enables a great feature, why not?
🚶➡️🏃 Proposed Enhancement
We could add a super general purpose estimator that integrates the
pybaselinepackage for elaborate baseline correction. The package is great and offers a variety of baseline algorithms, among them erPLS for automated selection of the smoothing parameter. However, it is purely function-based and this is wherechemotoolscomes in.🧑💻 Implementation Details
If we keep a general estimator like
we could integrate the full package with just a single estimator. We can make the
algorithm_kwargsdictionary- and also dataclass-based because the latter does not require the user to look at two documentations of two packages at the same time 🤔 In case we like an algorithm a lot, we can consider transitioning this to its own dedicated estimator. It will be a lof of tedious copying of specifications, but if that enables a great feature, why not?