Class Reactions

constructor

• new Reactions(OCL, options?): Reactions

• Parameters

  • OCL: any

  • Optional options: object = {}

  Returns Reactions

OCL

limitReactions

logger

maxDepth

moleculeInfo

moleculeInfoCallback

processedMolecules

skipProcessed

trees

appendHead

• appendHead(moleculesOrIDCodes): void

• We need to call this method for all the reactants on which we want to apply the reactions. If there is only one reactant, we call this method with an array of one reactant. If there are multiple reactants, we call this method with an array of the reactants. This method has to be called for all the reactants

  Parameters

  • moleculesOrIDCodes: any

  Returns void

applyOneReactantReactions

• applyOneReactantReactions(reactions, options?): void

• Parameters

  • reactions: object[]

    array of reactions that should be applied

  • Optional options: {
        max: undefined | number;
        min: undefined | number;
    } = {}

    • max: undefined | number

      max depth of the reaction

    • min: undefined | number

      min depth of the reaction

  Returns void

getFilteredReactions

• getFilteredReactions(options?): Reactions

• Parameters

  • Optional options: object = {}

  Returns Reactions

getLeaves

• getLeaves(): any[]

• Returns all the leaves of the trees

  Returns any[]

getNodes

• getNodes(): any[]

• Returns all the nodes of the trees

  Returns any[]

getParentMap

• getParentMap(): Map<any, any>

• Returns Map<any, any>

getValidNodes

• getValidNodes(): any[]

• When applying reactions some branches may be dead because it can not be implied in any reaction. This is the case when we specify a 'min' reaction depth. This will returno only the valid nodes

  Returns any[]