Package org.openscience.cdk.formula.rules


package org.openscience.cdk.formula.rules
  • Class
    Description
    This class validate if the charge in the IMolecularFormula correspond with a specific value.
    This class validate if the occurrence of the IElements in the IMolecularFormula are into a limits.
    Interface which groups all method that validate a IMolecularFormula.
    This class validate if the Isotope Pattern from a given IMolecularFormula correspond with other to compare.
    This class validate if the occurrence of the IElements in the IMolecularFormula, for metabolites, are into a maximal limit according paper: .
    A enumeration of the possible databases according the rules.
    A enumeration of the possible mass range according the rules.
    This class validate if the rule of nitrogen is kept.
    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.
    This class validate if the mass from an IMolecularFormula is between the tolerance range give a experimental mass.