Package org.openscience.cdk.formula
Class IsotopePatternManipulator
java.lang.Object
org.openscience.cdk.formula.IsotopePatternManipulator
Class to manipulate IsotopePattern objects.
- Author:
- Miguel Rojas Cherto
- Source code:
- main
- Belongs to CDK module:
- formula
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Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionstatic 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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Constructor Details
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IsotopePatternManipulator
public IsotopePatternManipulator()
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Method Details
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normalize
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
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
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
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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