@iktos-oss/rdkit-provider
Version:
exports an initialized RDKit instance, with helper functions
34 lines (33 loc) • 2.44 kB
TypeScript
import { ActionWorkerMessageNarrowerApplier } from '../../worker/actions';
import { PayloadResponseType } from '../../worker/worker';
type RDKitUtilsReady = {
isReady: true;
isValidSmiles: (params: ActionWorkerMessageNarrowerApplier<'IS_VALID_SMILES'>['payload']) => Promise<PayloadResponseType<'IS_VALID_SMILES'>>;
isValidSmarts: (params: ActionWorkerMessageNarrowerApplier<'IS_VALID_SMARTS'>['payload']) => Promise<PayloadResponseType<'IS_VALID_SMARTS'>>;
isChiral: (params: ActionWorkerMessageNarrowerApplier<'IS_CHIRAL'>['payload']) => Promise<PayloadResponseType<'IS_CHIRAL'>>;
getMorganFp: (params: ActionWorkerMessageNarrowerApplier<'GET_MORGAN_FP'>['payload']) => Promise<PayloadResponseType<'GET_MORGAN_FP'>>;
hasMatchingSubstructure: (params: ActionWorkerMessageNarrowerApplier<'HAS_MATCHING_SUBSTRUCTURE'>['payload']) => Promise<PayloadResponseType<'HAS_MATCHING_SUBSTRUCTURE'>>;
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<PayloadResponseType<'GET_SVG'>>;
isValidMolblock: (params: ActionWorkerMessageNarrowerApplier<'IS_VALID_MOLBLOCK'>['payload']) => Promise<PayloadResponseType<'IS_VALID_MOLBLOCK'>>;
convertMolNotation: (params: ActionWorkerMessageNarrowerApplier<'CONVERT_MOL_NOTATION'>['payload']) => Promise<PayloadResponseType<'CONVERT_MOL_NOTATION'>>;
addHs: (params: ActionWorkerMessageNarrowerApplier<'ADD_HS'>['payload']) => Promise<PayloadResponseType<'ADD_HS'>>;
removeHs: (params: ActionWorkerMessageNarrowerApplier<'REMOVE_HS'>['payload']) => Promise<PayloadResponseType<'REMOVE_HS'>>;
getNewCoords: (params: ActionWorkerMessageNarrowerApplier<'GET_NEW_COORDS'>['payload']) => Promise<PayloadResponseType<'GET_NEW_COORDS'>>;
getStereoTags: (params: ActionWorkerMessageNarrowerApplier<'GET_STEREO_TAGS'>['payload']) => Promise<PayloadResponseType<'GET_STEREO_TAGS'>>;
};
type RDKitUtilsNotReady = {
isReady: false;
};
export type RDKitUtilsResult = RDKitUtilsReady | RDKitUtilsNotReady;
export declare const useRDKitUtils: () => RDKitUtilsResult;
export {};