public void TestCompositionOperations()
{
var methodName = MethodBase.GetCurrentMethod().Name;
Utils.ShowStarting(methodName);
var comp = new Composition(1, 2, 3, 4, 5);
var massComp = new CompositionWithDeltaMass(15.995);
var sum = comp + massComp + comp + massComp;
Console.WriteLine("{0}\t{1}\t{2}", sum, sum.Mass, sum.NominalMass);
Console.WriteLine(sum.GetIsotopomerEnvelope().MostAbundantIsotopeIndex);
}
public void TestDeconvolutedIonTypes()
{
var methodName = MethodBase.GetCurrentMethod().Name;
ShowStarting(methodName);
var comp1 = Composition.H2O;
var comp2 = new CompositionWithDeltaMass(-1);
Console.WriteLine(comp1 + comp2);
Console.WriteLine(comp1 - comp2);
var ionTypeFactory = IonTypeFactory.GetDeconvolutedIonTypeFactory(new[] { BaseIonType.B, BaseIonType.Y }, new[] { NeutralLoss.NoLoss, NeutralLoss.H2O });
foreach (var ionType in ionTypeFactory.GetAllKnownIonTypes())
{
Console.WriteLine(ionType);
}
}
/// <summary>
/// Constructor
/// </summary>
/// <param name="accessionNum"></param>
/// <param name="deltaMass"></param>
/// <param name="name"></param>
public Modification(int accessionNum, double deltaMass, string name)
{
AccessionNum = accessionNum;
Composition = new CompositionWithDeltaMass(deltaMass);
Name = name;
}
