Package org.openscience.cdk.formula.rules

Interface Summary

Interface	Description
IRule	Interface which groups all method that validate a IMolecularFormula.

Class Summary

Class	Description
ChargeRule	This class validate if the charge in the IMolecularFormula correspond with a specific value.
ElementRule	This class validate if the occurrence of the IElements in the IMolecularFormula are into a limits.
IsotopePatternRule	This class validate if the Isotope Pattern from a given IMolecularFormula correspond with other to compare.
MMElementRule	This class validate if the occurrence of the IElements in the IMolecularFormula, for metabolites, are into a maximal limit according paper: .
NitrogenRule	This class validate if the rule of nitrogen is kept.
RDBERule	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.
ToleranceRangeRule	This class validate if the mass from an IMolecularFormula is between the tolerance range give a experimental mass.

Enum Summary

Enum	Description
MMElementRule.Database	A enumeration of the possible databases according the rules.
MMElementRule.RangeMass	A enumeration of the possible mass range according the rules.