Package org.openscience.cdk.formula

Class Summary

Class	Description
AdductFormula	Class defining an adduct object in a MolecularFormula.
IsotopeContainer	This class defines a isotope container.
IsotopePattern	This class defines the properties of a deisotoped pattern distribution.
IsotopePatternGenerator	Generates all Combinatorial chemical isotopes given a structure.
IsotopePatternManipulator	Class to manipulate IsotopePattern objects.
IsotopePatternSimilarity	This class gives a score hit of similarity between two different isotope abundance pattern.
MassToFormulaTool	Deprecated Please use MolecularFormulaGenerator
MolecularFormula	Class defining a molecular formula object.
MolecularFormulaChecker	Validate a molecular formula given in IMolecularformula object.
MolecularFormulaGenerator	This class generates molecular formulas within given mass range and elemental composition.
MolecularFormulaRange	Class defining a expanded molecular formula object.
MolecularFormulaSet	Class defining an set object of MolecularFormulas.