Package org.openscience.cdk.formula

Class IsotopePatternManipulator

java.lang.Object
org.openscience.cdk.formula.IsotopePatternManipulator
public class IsotopePatternManipulator extends Object
Class to manipulate IsotopePattern objects.
Author:
Miguel Rojas Cherto

  • Constructor Details

    • IsotopePatternManipulator

      public IsotopePatternManipulator()

  • Method Details

    • 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