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@iktos-oss/rdkit-provider

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exports an initialized RDKit instance, with helper functions

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import { type CIPBonds, type CIPAtoms } from './worker/types'; import { type DeprecatedMoleculeBasicDetails, type Descriptors } from './worker/utils/chem'; export type RDKitColor = [number, number, number] | [number, number, number, number]; /** output types */ export type GetSVGOutputType = { svg: string | null; }; export type IsChiralOutputType = boolean; export type GetMorganFpOutputType = string; export type IsValidOutputType = { isValid: boolean; }; export type GetCanonicalFormOutputType = { canonicalForm: string | null; }; export type HasMatchingOutputType = { matching: boolean; }; export type GetSubstructureMatchOutputType = { matchingAtoms: number[]; matchingBonds: number[]; } | null; export type GetMoleculeDetailsOutputType = Descriptors | null; export type Deprecated_GetMoleculeDetailsOutputType = DeprecatedMoleculeBasicDetails | null; export type ConvertMolNotationOutputType = { structure: string | null; }; export type GetMDLOutputType = { mdl: string | null; }; export type GetSteroTagsOutputType = { CIP_atoms: CIPAtoms; CIP_bonds: CIPBonds; }; /** output types */