openchemlib-utils
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    Interface ApplyFragmentLabelsOptions

    interface ApplyFragmentLabelsOptions {
        algorithm?:
            | "firstMatch"
            | "separated"
            | "overlapping"
            | "rigorous"
            | "unique";
    }
    Index

    Properties

    Properties

    algorithm?: "firstMatch" | "separated" | "overlapping" | "rigorous" | "unique"

    Algorithm to use for substructure searching and matching the fragment to the molecule. overlapping: create list not containing multiple matches sharing exactly the same atoms firstMatch: create matchList with just one match separated: create list of all non-overlapping matches / not optimized for maximum match count rigorous: create list of all possible matches neglecting any symmetries unique: create list of all distinguishable matches considering symmetries

    'overlapping'