Class IsotopePatternManipulator


  • public class IsotopePatternManipulator
    extends Object
    Class to manipulate IsotopePattern objects.
    Author:
    Miguel Rojas Cherto
    Source code:
    main
    Belongs to CDK module:
    formula
    • Constructor Detail

      • IsotopePatternManipulator

        public IsotopePatternManipulator()
    • Method Detail

      • normalize

        public static IsotopePattern normalize​(IsotopePattern isotopeP)
        Return the isotope pattern normalized to the highest abundance.
        Parameters:
        isotopeP - The IsotopePattern object to normalize
        Returns:
        The IsotopePattern normalized
      • sortAndNormalizedByIntensity

        public static IsotopePattern sortAndNormalizedByIntensity​(IsotopePattern isotopeP)
        Return the isotope pattern sorted and normalized by intensity to the highest abundance.
        Parameters:
        isotopeP - The IsotopePattern object to sort
        Returns:
        The IsotopePattern sorted
      • sortByIntensity

        public static IsotopePattern sortByIntensity​(IsotopePattern isotopeP)
        Return the isotope pattern sorted by intensity to the highest abundance.
        Parameters:
        isotopeP - The IsotopePattern object to sort
        Returns:
        The IsotopePattern sorted
      • sortByMass

        public static IsotopePattern sortByMass​(IsotopePattern isotopeP)
        Return the isotope pattern sorted by mass to the highest abundance.
        Parameters:
        isotopeP - The IsotopePattern object to sort
        Returns:
        The IsotopePattern sorted