Uses of Class
org.openscience.cdk.formula.IsotopePattern
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Packages that use IsotopePattern Package Description org.openscience.cdk.formula -
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Uses of IsotopePattern in org.openscience.cdk.formula
Methods in org.openscience.cdk.formula that return IsotopePattern Modifier and Type Method Description IsotopePattern
IsotopePatternGenerator. getIsotopes(IMolecularFormula molFor)
Get all combinatorial chemical isotopes given a structure.static IsotopePattern
IsotopePatternManipulator. normalize(IsotopePattern isotopeP)
Return the isotope pattern normalized to the highest abundance.static IsotopePattern
IsotopePatternManipulator. sortAndNormalizedByIntensity(IsotopePattern isotopeP)
Return the isotope pattern sorted and normalized by intensity to the highest abundance.static IsotopePattern
IsotopePatternManipulator. sortByIntensity(IsotopePattern isotopeP)
Return the isotope pattern sorted by intensity to the highest abundance.static IsotopePattern
IsotopePatternManipulator. sortByMass(IsotopePattern isotopeP)
Return the isotope pattern sorted by mass to the highest abundance.Methods in org.openscience.cdk.formula with parameters of type IsotopePattern Modifier and Type Method Description double
IsotopePatternSimilarity. compare(IsotopePattern isoto1, IsotopePattern isoto2)
Compare the IMolecularFormula with a isotope abundance pattern.static IsotopePattern
IsotopePatternManipulator. normalize(IsotopePattern isotopeP)
Return the isotope pattern normalized to the highest abundance.static IsotopePattern
IsotopePatternManipulator. sortAndNormalizedByIntensity(IsotopePattern isotopeP)
Return the isotope pattern sorted and normalized by intensity to the highest abundance.static IsotopePattern
IsotopePatternManipulator. sortByIntensity(IsotopePattern isotopeP)
Return the isotope pattern sorted by intensity to the highest abundance.static IsotopePattern
IsotopePatternManipulator. sortByMass(IsotopePattern isotopeP)
Return the isotope pattern sorted by mass to the highest abundance.
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