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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 { RDKitProviderCacheOptions } from '../contexts'; import { AlignmentDetails, DrawingDetails, MolNotation, SourceMolNotation } from './utils/chem'; export declare const RDKIT_WORKER_ACTIONS: { readonly INIT_RDKIT_MODULE: "INIT_RDKIT_MODULE"; readonly LOCAL_RESPONSE: "LOCAL_RESPONSE"; readonly BROADCASTED_RESPONSE: "BROADCASTED_RESPONSE"; readonly IS_CHIRAL: "IS_CHIRAL"; readonly GET_MORGAN_FP: "GET_MORGAN_FP"; readonly GET_SVG: "GET_SVG"; readonly GET_SVG_FROM_SMARTS: "GET_SVG_FROM_SMARTS"; readonly GET_MOLECULE_DETAILS: "GET_MOLECULE_DETAILS"; readonly DEPRECATED_GET_MOLECULE_DETAILS: "DEPRECATED_GET_MOLECULE_DETAILS"; readonly GET_CANONICAL_FORM_FOR_STRUCTURE: "GET_CANONICAL_FORM_FOR_STRUCTURE"; readonly IS_VALID_SMILES: "IS_VALID_SMILES"; readonly IS_VALID_SMARTS: "IS_VALID_SMARTS"; readonly HAS_MATCHING_SUBSTRUCTURE: "HAS_MATCHING_SUBSTRUCTURE"; readonly GET_SUBSTRUCTURE_MATCH: "GET_SUBSTRUCTURE_MATCH"; readonly TERMINATE: "TERMINATE"; readonly CONVERT_MOL_NOTATION: "CONVERT_MOL_NOTATION"; readonly IS_VALID_MOLBLOCK: "IS_VALID_MOLBLOCK"; readonly REMOVE_HS: "REMOVE_HS"; readonly ADD_HS: "ADD_HS"; readonly GET_NEW_COORDS: "GET_NEW_COORDS"; readonly GET_STEREO_TAGS: "GET_STEREO_TAGS"; }; type ValueOf<T> = T[keyof T]; export type RDKIT_WORKER_ACTIONS_TYPE = ValueOf<typeof RDKIT_WORKER_ACTIONS>; export declare const getActionResponseIdentifier: (action: RDKIT_WORKER_ACTIONS_TYPE) => string; export declare const getActionLocalResponseIdentifier: (action: RDKIT_WORKER_ACTIONS_TYPE) => string; export declare const isLocalResponse: (action: RDKIT_WORKER_ACTIONS_TYPE) => boolean; export declare const localResponseToResponse: (action: RDKIT_WORKER_ACTIONS_TYPE) => string; export type WorkerMessage = WorkerMessageNarrower & WorkerMessageGerneric; export type WorkerMessageNarrower = { actionType: 'INIT_RDKIT_MODULE'; key: string; payload: { rdkitPath?: string; cache?: RDKitProviderCacheOptions; preferCoordgen: boolean; removeHs: boolean; }; } | { actionType: 'IS_CHIRAL'; key: string; payload: { smiles: string; }; } | { actionType: 'GET_MORGAN_FP'; key: string; payload: { smiles: string; options?: { radius?: number; nBits?: number; len?: number; }; }; } | { actionType: 'GET_SVG'; key: string; payload: { smiles: string; drawingDetails?: DrawingDetails; alignmentDetails?: AlignmentDetails; }; } | { actionType: 'GET_SVG_FROM_SMARTS'; key: string; payload: { smarts: string; width: number; height: number; }; } | { actionType: 'GET_MOLECULE_DETAILS'; key: string; payload: { smiles: string; }; } | { actionType: 'DEPRECATED_GET_MOLECULE_DETAILS'; key: string; payload: { smiles: string; }; } | { actionType: 'GET_CANONICAL_FORM_FOR_STRUCTURE'; key: string; payload: { structure: string; molNotation?: MolNotation; useQMol?: boolean; }; } | { actionType: 'IS_VALID_SMILES'; key: string; payload: { smiles: string; }; } | { actionType: 'IS_VALID_SMARTS'; key: string; payload: { smarts: string; }; } | { actionType: 'HAS_MATCHING_SUBSTRUCTURE'; key: string; payload: { smiles: string; substructure: string; }; } | { actionType: 'GET_SUBSTRUCTURE_MATCH'; key: string; payload: { structure: string; substructure: string; }; } | { actionType: 'TERMINATE'; key: string; } | { actionType: 'CONVERT_MOL_NOTATION'; key: string; payload: { moleculeString: string; targetNotation: MolNotation; sourceNotation?: SourceMolNotation; useQMol?: boolean; }; } | { actionType: 'IS_VALID_MOLBLOCK'; key: string; payload: { mdl: string; }; } | { actionType: 'REMOVE_HS'; key: string; payload: { structure: string; }; } | { actionType: 'ADD_HS'; key: string; payload: { structure: string; }; } | { actionType: 'GET_NEW_COORDS'; key: string; payload: { structure: string; useCoordGen?: boolean; }; } | { actionType: 'GET_STEREO_TAGS'; key: string; payload: { structure: string; }; }; export type ActionWorkerMessageNarrowerApplier<ActionType extends RDKIT_WORKER_ACTIONS_TYPE> = { actionType: ActionType; key: string; } & WorkerMessageNarrower; interface WorkerMessageGerneric { actionType: RDKIT_WORKER_ACTIONS_TYPE; key: string; payload?: unknown; } export {};