openchemlib-utils
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    Class Reactions

    Index

    Constructors

    Properties

    limitReactions: any
    logger: any
    maxDepth: any
    moleculeInfo: {}
    moleculeInfoCallback: any
    OCL: any
    processedMolecules: Map<any, any>
    skipProcessed: any
    trees: any[]

    Methods

    • 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

    • Parameters

      • reactions: object[]

        array of reactions that should be applied

      • Optionaloptions: { max?: number; min?: number } = {}
        • Optionalmax?: number

          max depth of the reaction

        • Optionalmin?: number

          min depth of the reaction

      Returns void

    • 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[]