public void testCorrectionFactorInterpolation()
{
Correction correction1 = new Correction("filename.txt", 1, Double.NaN);
Correction correction2 = new Correction("filename.txt", 2, Double.NaN);
Correction correction3 = new Correction("filename.txt", 3, 4D);
Correction correction4 = new Correction("filename.txt", 4, Double.NaN);
Correction correction5 = new Correction("filename.txt", 5, 6D);
Correction correction6 = new Correction("filename.txt", 6, Double.NaN);
List <Correction> correctionFactorTestList = new List <Correction> {
correction1, correction2, correction3, correction4, correction5, correction6
};
List <Correction> interpolated = Correction.CorrectionFactorInterpolation(correctionFactorTestList);
foreach (Correction corr in interpolated)
{
Assert.AreEqual(Double.IsNaN(corr.correction), false);//checking to see that all values are defined.
}
Assert.AreEqual(interpolated.First().correction, 4D); // checking to see if the first undefined values were given the first defined value
Assert.AreEqual(interpolated.Last().correction, 6D); //checing to see if undefined values at the end of the list are given last defined value
Assert.AreEqual(interpolated.Where(s => s.scan_number == 4).First().correction, 5D); //checking to see that undefined values in the middle of the list are given average
}
public void correction_factors_into_chargestates()
{
string filename = "filename.txt";
string scan_range = "1-3";
Component c = new Component();
c.input_file = new InputFile("fake.txt", Purpose.Identification);
c.scan_range = scan_range;
Correction correction1 = new Correction(filename, 1, Double.NaN);
Correction correction2 = new Correction(filename, 2, Double.NaN);
Correction correction3 = new Correction(filename, 3, 4D);
List <Correction> corrections = Correction.CorrectionFactorInterpolation(new List <Correction> {
correction1, correction2, correction3
});
string charge_count = "1";
string intensity = "1001.1";
string mz_centroid = "123.2";
string reported_mass = "125.0";
c.add_charge_state(new List <string> {
charge_count, intensity, mz_centroid, reported_mass
}, Correction.GetCorrectionFactor(filename, scan_range, corrections));
}