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    Interface MoleculeFromSmilesOptions

    interface MoleculeFromSmilesOptions {
        createSmartsWarnings?: boolean;
        makeHydrogenExplicit?: boolean;
        noCactvs?: boolean;
        noCoordinates?: boolean;
        noStereo?: boolean;
        singleDotSeparator?: boolean;
        skipCoordinateTemplates?: boolean;
        smartsMode?: "smiles" | "smarts" | "guess";
    }

    Hierarchy (View Summary)

    Index

    Properties

    createSmartsWarnings?: boolean
    makeHydrogenExplicit?: boolean
    noCactvs?: boolean

    Disable parsing of CACTVS syntax.

    noCoordinates?: boolean

    Disable coordinate invention.

    false
    
    noStereo?: boolean

    Disable stereo features parsing.

    false
    
    singleDotSeparator?: boolean

    Consider single dots '.' (rather than '..') as molecule separator when parsing reactions.

    skipCoordinateTemplates?: boolean
    smartsMode?: "smiles" | "smarts" | "guess"

    Enable SMARTS parsing with 'smarts' or 'guess'.

    'smiles'