public void TestClone()
{
var spExp = new IsotopePattern(new[]
{
new IsotopeContainer(156.07770, 1),
new IsotopeContainer(157.07503, 0.0004),
new IsotopeContainer(157.08059, 0.0003),
new IsotopeContainer(158.08135, 0.002),
});
spExp.MonoIsotope = spExp.Isotopes[0];
spExp.Charge = 1;
var clone = (IsotopePattern)spExp.Clone();
Assert.AreEqual(156.07770, clone.MonoIsotope.Mass, 0.001);
Assert.AreEqual(156.07770, clone.Isotopes[0].Mass, 0.001);
Assert.AreEqual(157.07503, clone.Isotopes[1].Mass, 0.001);
Assert.AreEqual(157.08059, clone.Isotopes[2].Mass, 0.001);
Assert.AreEqual(158.08135, clone.Isotopes[3].Mass, 0.001);
Assert.AreEqual(1, clone.MonoIsotope.Intensity, 0.001);
Assert.AreEqual(1, clone.Isotopes[0].Intensity, 0.001);
Assert.AreEqual(0.0004, clone.Isotopes[1].Intensity, 0.001);
Assert.AreEqual(0.0003, clone.Isotopes[2].Intensity, 0.001);
Assert.AreEqual(0.002, clone.Isotopes[3].Intensity, 0.001);
Assert.AreEqual(1, clone.Charge, 0.001);
}
/// <summary>
/// Return the isotope pattern sorted by intensity to the highest abundance.
/// </summary>
/// <param name="isotopeP">The IsotopePattern object to sort</param>
/// <returns>The IsotopePattern sorted</returns>
public static IsotopePattern SortByIntensity(IsotopePattern isotopeP)
{
var isoSort = (IsotopePattern)isotopeP.Clone();
// Do nothing for empty isotope pattern
if (isoSort.Isotopes.Count == 0)
{
return(isoSort);
}
// Sort the isotopes
var listISO = isoSort.Isotopes;
isoSort.isotopes.Sort(
delegate(IsotopeContainer o1, IsotopeContainer o2)
{
return(o2.Intensity.CompareTo(o1.Intensity));
});
// Set the monoisotopic peak to the one with highest intensity
isoSort.MonoIsotope = listISO[0];
return(isoSort);
}