Filter reactions where one of the reactants is the product#148
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kmaziarz merged 3 commits intoJun 25, 2026
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This makes sense to me. I vaguely recall thinking about this problem when initially implementing this library but forget why I didn't include a kwarg like this. Thanks for implementing!
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Co-authored-by: Copilot <223556219+Copilot@users.noreply.github.com>
Co-authored-by: Copilot <223556219+Copilot@users.noreply.github.com>
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This PR add an option to all reaction models to filter out reactions where the product is also one of the reactants. This is hidden behind a flag
remove_product_in_reactants, which isFalseby default for backwards compatibility.