/// <summary>
/// Creates a new spectrum based on a string of ions
/// </summary>
/// <param name="data"></param>
public AbstractSpectrum(string data)
{
//checke data has data
if ("" == data) {
throw new ArgumentException ("The spectrum data can't be null or empty.");
}
ions = new List<Ion>();
Array splitData = data.Split (' ');
foreach(string ion in splitData) {
//get m/z
double mz = double.Parse(ion.Split(':')[0]);
//get intensity
double intensity = double.Parse(ion.Split(':')[1]);
Ion newIon = new Ion(mz, intensity);
Ions.Add(newIon);
}
Ions = this.toRelative(MAX_RELATIVE_INTENSITY);
}
//compares by mz value
public int CompareTo(Object other)
{
if (this.GetType() != other.GetType())
{
throw new ArgumentException(String.Format("Can't compare {0} with {1}.", this.GetType(), other.GetType()));
}
Ion otherCpy = (Ion)other;
if (this.intensity < otherCpy.intensity)
{
return(-1);
}
else if (this.intensity > otherCpy.intensity)
{
return(1);
}
else
{
return(otherCpy.mz.CompareTo(this.mz));
}
}
/// <summary>
/// Creates a new spectrum based on a string of ions
/// </summary>
/// <param name="data"></param>
public AbstractSpectrum(string data)
{
//checke data has data
if ("" == data)
{
throw new ArgumentException("The spectrum data can't be null or empty.");
}
ions = new List <Ion>();
Array splitData = data.Split(' ');
foreach (string ion in splitData)
{
//get m/z
double mz = double.Parse(ion.Split(':')[0]);
//get intensity
double intensity = double.Parse(ion.Split(':')[1]);
Ion newIon = new Ion(mz, intensity);
Ions.Add(newIon);
}
Ions = this.toRelative(MAX_RELATIVE_INTENSITY);
}
public void TestIonFormatedToString()
{
Ion ion = new Ion(4.083286, 142.545026);
Assert.AreEqual("4.083286:142.545026", ion.ToString());
}