Uses of Interface
org.openscience.cdk.formula.rules.IRule
Packages that use IRule
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Uses of IRule in org.openscience.cdk.formula
Methods in org.openscience.cdk.formula that return types with arguments of type IRuleModifier and TypeMethodDescriptionMassToFormulaTool.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 IRuleModifier and TypeMethodDescriptionvoid
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 IRuleModifierConstructorDescriptionMolecularFormulaChecker
(List<IRule> rules) Construct an instance of MolecularFormulaChecker. -
Uses of IRule in org.openscience.cdk.formula.rules
Classes in org.openscience.cdk.formula.rules that implement IRuleModifier and TypeClassDescriptionclass
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.