Uses of Interface
org.openscience.cdk.formula.rules.IRule

Packages that use IRule
  • Uses of IRule in org.openscience.cdk.formula

    Methods in org.openscience.cdk.formula that return types with arguments of type IRule
    Modifier and Type
    Method
    Description
    MassToFormulaTool.getRestrictions()
    Deprecated.
    Get the restrictions that must be presents in the molecular formula.
    MolecularFormulaChecker.getRules()
    Get the IRules to be applied to validate the IMolecularFormula.
    Method parameters in org.openscience.cdk.formula with type arguments of type IRule
    Modifier and Type
    Method
    Description
    void
    MassToFormulaTool.setRestrictions(List<IRule> rulesNew)
    Deprecated.
    Set the restrictions that must be presents in the molecular formula.
    Constructor parameters in org.openscience.cdk.formula with type arguments of type IRule
    Modifier
    Constructor
    Description
     
    Construct an instance of MolecularFormulaChecker.
  • Uses of IRule in org.openscience.cdk.formula.rules

    Classes in org.openscience.cdk.formula.rules that implement IRule
    Modifier and Type
    Class
    Description
    class 
    This class validate if the charge in the IMolecularFormula correspond with a specific value.
    class 
    This class validate if the occurrence of the IElements in the IMolecularFormula are into a limits.
    class 
    This class validate if the Isotope Pattern from a given IMolecularFormula correspond with other to compare.
    class 
    This class validate if the occurrence of the IElements in the IMolecularFormula, for metabolites, are into a maximal limit according paper: .
    class 
    This class validate if the rule of nitrogen is kept.
    class 
    Ring Double Bond Equivalents (RDBE) or Double Bond Equivalents (DBE) are calculated from valence values of elements contained in a formula and should tell the number of bonds - or rings.
    class 
    This class validate if the mass from an IMolecularFormula is between the tolerance range give a experimental mass.