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

Source code:

master

Belongs to CDK module:

formula

Constructor Summary

Constructors

Constructor and Description
IsotopePatternManipulator()

Method Summary

Modifier and Type	Method and Description
static IsotopePattern	normalize(IsotopePattern isotopeP) Return the isotope pattern normalized to the highest abundance.
static IsotopePattern	sortAndNormalizedByIntensity(IsotopePattern isotopeP) Return the isotope pattern sorted and normalized by intensity to the highest abundance.
static IsotopePattern	sortByIntensity(IsotopePattern isotopeP) Return the isotope pattern sorted by intensity to the highest abundance.
static IsotopePattern	sortByMass(IsotopePattern isotopeP) Return the isotope pattern sorted by mass to the highest abundance.

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

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