@TestClass(value="org.openscience.cdk.formula.IsotopePatternSimilarityTest") public class IsotopePatternSimilarity extends Object
Constructor and Description |
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IsotopePatternSimilarity()
Constructor for the IsotopePatternSimilarity object.
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Modifier and Type | Method and Description |
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double |
compare(IsotopePattern isoto1,
IsotopePattern isoto2)
Compare the IMolecularFormula with a isotope
abundance pattern.
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double |
getTolerance()
Get the tolerance of the mass accuracy.
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void |
seTolerance(double tolerance)
Set the tolerance of the mass accuracy.
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public IsotopePatternSimilarity()
@TestMethod(value="testSeTolerance_double") public void seTolerance(double tolerance)
tolerance
- The tolerance value@TestMethod(value="testGetTolerance") public double getTolerance()
@TestMethod(value="testCompare_IsotopePattern_IsotopePattern") public double compare(IsotopePattern isoto1, IsotopePattern isoto2)
isoto1
- The Isotope pattern reference (predicted)isoto2
- The Isotope pattern reference (detected)