Package org.openscience.cdk.formula
package org.openscience.cdk.formula
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ClassesClassDescriptionClass defining an adduct object in a MolecularFormula.This class defines a isotope container.This class defines the properties of a deisotoped pattern distribution.Generates all Combinatorial chemical isotopes given a structure.Class to manipulate IsotopePattern objects.This class gives a score hit of similarity between two different isotope abundance pattern.Deprecated.Please use MolecularFormulaGeneratorClass defining a molecular formula object.Validate a molecular formula given in IMolecularformula object.This class generates molecular formulas within given mass range and elemental composition.Class defining a expanded molecular formula object.Class defining an set object of MolecularFormulas.