public void CompressMissedMonoisotopics()
{
cList.Clear();
L.neucode_labeled = false;
List <double> possibleMissedMonoisotopicsList =
Enumerable.Range(-3, 7).Select(x =>
1000d + ((double)x) * Lollipop.MONOISOTOPIC_UNIT_MASS).ToList();
int counter = 0;
foreach (double mass in possibleMissedMonoisotopicsList)
{
Component c = new Component();
InputFile i = new InputFile("path", Purpose.Identification);
c.input_file = i;
c.id = counter.ToString();
c.weighted_monoisotopic_mass = mass;
if (counter == 3)
{
ChargeState cs1 = new ChargeState(10, 100d, (mass + 10d * Lollipop.PROTON_MASS) / 10d);//(int charge_count, double intensity, double mz_centroid)
c.charge_states.Add(cs1);
}
else
{
ChargeState cs1 = new ChargeState(10, 50d, (mass + 10d * Lollipop.PROTON_MASS) / 10d);//(int charge_count, double intensity, double mz_centroid)
c.charge_states.Add(cs1);
}
c.min_scan = 1;
c.max_scan = 2;
c.calculate_properties();
cList.Add(c);
counter++;
}
List <Component> compressed = new List <Component>(cr.remove_monoisotopic_duplicates_harmonics_from_same_scan(cList));
Assert.AreEqual(1, compressed.Count);
Assert.AreEqual(400d, compressed.FirstOrDefault().intensity_sum);
foreach (double mass in possibleMissedMonoisotopicsList)
{
Component c = new Component();
InputFile i = new InputFile("path", Purpose.Identification);
c.input_file = i;
c.id = counter.ToString();
c.weighted_monoisotopic_mass = mass + 1000d;
if (counter == 10)
{
ChargeState cs1 = new ChargeState(10, 100d, (c.weighted_monoisotopic_mass + 10d * Lollipop.PROTON_MASS) / 10d);//(int charge_count, double intensity, double mz_centroid)
c.charge_states.Add(cs1);
}
else
{
ChargeState cs1 = new ChargeState(10, 50d, (c.weighted_monoisotopic_mass + 10d * Lollipop.PROTON_MASS) / 10d);//(int charge_count, double intensity, double mz_centroid)
c.charge_states.Add(cs1);
}
c.min_scan = 3;
c.max_scan = 4;
c.calculate_properties();
cList.Add(c);
counter++;
}
compressed = cr.remove_monoisotopic_duplicates_harmonics_from_same_scan(cList);
Assert.AreEqual(2, compressed.Count);
}
