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More input validation for Pipeline.fit_transform etc. #22

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JochenSiegWork opened this issue Jun 14, 2024 · 0 comments
Open

More input validation for Pipeline.fit_transform etc. #22

JochenSiegWork opened this issue Jun 14, 2024 · 0 comments
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status: backlog Things we will work on, but not right now type: maintenance Improvement of code or keeping the code up to date

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@JochenSiegWork
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The fit, fit_transform, transform, etc. functions in the Pipeline and PipelineElement classes expect an Iterable as input. Some Iterables lead to errors or even wrong results, so we should handle those during the input validation step.

For example, pipeline.fit(["CCC"]) works correctly, but when you forget the [...] list, e.g. pipeline.fit("CCC"), you still give an Iterable, but it's just the SMILES string. Depending on the Pipeline elements, this gives an informative error, or even wrong results are reported without raising any errors.

@JochenSiegWork JochenSiegWork added the type: maintenance Improvement of code or keeping the code up to date label Jun 14, 2024
@c-w-feldmann c-w-feldmann added the status: backlog Things we will work on, but not right now label Jun 14, 2024
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Labels
status: backlog Things we will work on, but not right now type: maintenance Improvement of code or keeping the code up to date
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