Uses of Class
org.openscience.cdk.formula.IsotopePattern

Packages that use IsotopePattern

Package	Description
org.openscience.cdk.formula

Uses of IsotopePattern in org.openscience.cdk.formula

Methods in org.openscience.cdk.formula that return IsotopePattern

Modifier and Type	Method and 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 and 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.