Package org.openscience.cdk.formula
Class IsotopePatternManipulator
- java.lang.Object
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- org.openscience.cdk.formula.IsotopePatternManipulator
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Constructor Summary
Constructors Constructor Description IsotopePatternManipulator()
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Method Summary
All Methods Static Methods Concrete Methods Modifier and Type Method 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.
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Method Detail
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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
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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
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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
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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
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