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Add functionality to compare pipelines #95

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c-w-feldmann
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@c-w-feldmann c-w-feldmann added the type: enhancement New feature or request label Oct 2, 2024
@c-w-feldmann c-w-feldmann self-assigned this Oct 2, 2024
@c-w-feldmann c-w-feldmann marked this pull request as ready for review October 2, 2024 10:22
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@JochenSiegWork JochenSiegWork left a comment

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Would be nice if you can find a better place for you test utility function. However, if not this lgtm

from molpipeline.utils.comparison import check_pipelines_equivalent


def get_test_pipeline() -> Pipeline:
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do we have such a function already in the library somewhere? Maybe put it into the test utils

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Moved it to tests/utils/default_models.py.
We have done something similar for Chemprop (see test_extras/test_chemprop/chemprop_test_utils/default_models.py)

@c-w-feldmann c-w-feldmann added this to the v0.9.0 milestone Oct 7, 2024
@c-w-feldmann c-w-feldmann merged commit ebd9887 into main Oct 7, 2024
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@c-w-feldmann c-w-feldmann deleted the 94-utils-add-a-function-to-compare-is-two-pipelines-have-same-functionallity branch October 7, 2024 16:04
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utils: Add a function to compare is two pipelines have same functionallity.
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