Interface ISmilesParserOptions

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

Index

Properties

createSmartsWarnings? makeHydrogenExplicit? noCactvs? singleDotSeparator? skipCoordinateTemplates? smartsMode?

Properties

`Optional` createSmartsWarnings

createSmartsWarnings?: boolean

`Optional` makeHydrogenExplicit

makeHydrogenExplicit?: boolean

`Optional` noCactvs

noCactvs?: boolean

Disable parsing of CACTVS syntax.

`Optional` singleDotSeparator

singleDotSeparator?: boolean

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

`Optional` skipCoordinateTemplates

skipCoordinateTemplates?: boolean

`Optional` smartsMode

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

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

Default

'smiles'