@iktos-oss/rdkit-provider
Version:
exports an initialized RDKit instance, with helper functions
27 lines (26 loc) • 2.17 kB
TypeScript
import { ActionWorkerMessageNarrowerApplier } from '../../worker/actions';
import { PayloadResponseType } from '../../worker/worker';
export declare const useRDKitUtils: () => {
isValidSmiles: (params: ActionWorkerMessageNarrowerApplier<'IS_VALID_SMILES'>['payload']) => Promise<import("../..").IsValidOutputType>;
isValidSmarts: (params: ActionWorkerMessageNarrowerApplier<'IS_VALID_SMARTS'>['payload']) => Promise<import("../..").IsValidOutputType>;
isChiral: (params: ActionWorkerMessageNarrowerApplier<'IS_CHIRAL'>['payload']) => Promise<boolean>;
getMorganFp: (params: ActionWorkerMessageNarrowerApplier<'GET_MORGAN_FP'>['payload']) => Promise<string>;
hasMatchingSubstructure: (params: ActionWorkerMessageNarrowerApplier<'HAS_MATCHING_SUBSTRUCTURE'>['payload']) => Promise<import("../..").HasMatchingOutputType>;
getMoleculeDetails: {
(params: {
smiles: string;
returnFullDetails: true;
}): Promise<PayloadResponseType<'GET_MOLECULE_DETAILS'>>;
(params: {
smiles: string;
returnFullDetails?: false | undefined;
}): Promise<PayloadResponseType<'DEPRECATED_GET_MOLECULE_DETAILS'>>;
};
getSvg: (params: ActionWorkerMessageNarrowerApplier<'GET_SVG'>['payload']) => Promise<import("../..").GetSVGOutputType>;
isValidMolblock: (params: ActionWorkerMessageNarrowerApplier<'IS_VALID_MOLBLOCK'>['payload']) => Promise<import("../..").IsValidOutputType>;
convertMolNotation: (params: ActionWorkerMessageNarrowerApplier<'CONVERT_MOL_NOTATION'>['payload']) => Promise<import("../..").ConvertMolNotationOutputType>;
addHs: (params: ActionWorkerMessageNarrowerApplier<'ADD_HS'>['payload']) => Promise<import("../..").GetMDLOutputType>;
removeHs: (params: ActionWorkerMessageNarrowerApplier<'REMOVE_HS'>['payload']) => Promise<import("../..").GetMDLOutputType>;
getNewCoords: (params: ActionWorkerMessageNarrowerApplier<'GET_NEW_COORDS'>['payload']) => Promise<import("../..").GetMDLOutputType>;
getStereoTags: (params: ActionWorkerMessageNarrowerApplier<'GET_STEREO_TAGS'>['payload']) => Promise<import("../..").GetSteroTagsOutputType>;
};