/** * @description Fragment a molecule by applying reactions from a custom database of reactions * @param {import('openchemlib').Molecule} oclMolecule - The OCL molecule to be fragmented * @param {Object} [options={}] * @param {('esi'|'ei')[]} [options.ionizations=['esi']] - The ionization technique to be used * @param {('positive'|'negative')[]} [options.modes=['positive']] - The ionization mode to be used * @param {number} [options.maxDepth=5] - The maximum depth of the overall fragmentation tree * @param {number} [options.limitReactions=200] - The maximum number of reactions to be applied to each branch * @param {string} [options.dwar] - The dwar entry to be used, if not provided, the default one will be used * @param {number} [options.maxIonizations=1] - The maximum depth of the ionization tree * @param {number} [options.minIonizations=1] - The minimum depth of the ionization tree * @param {number} [options.minReactions=0] - The minimum depth of the reaction tree * @param {number} [options.maxReactions=3] - The maximum depth of the reaction tree * @returns {object} In-Silico fragmentation results with the following properties: * - masses: array of monoisotopic masses * - trees: array of fragmentation trees * - validNodes: nodes without dead branches */ export function reactionFragmentation(oclMolecule: import("openchemlib").Molecule, options?: { ionizations?: ("esi" | "ei")[] | undefined; modes?: ("positive" | "negative")[] | undefined; maxDepth?: number | undefined; limitReactions?: number | undefined; dwar?: string | undefined; maxIonizations?: number | undefined; minIonizations?: number | undefined; minReactions?: number | undefined; maxReactions?: number | undefined; }): object; //# sourceMappingURL=reactionFragmentation.d.ts.map