public void TestSelectivityScoreUsingNominalMasses()
{
var methodName = MethodBase.GetCurrentMethod().Name;
TestUtils.ShowStarting(methodName);
var aaSet = AminoAcidSet.GetStandardAminoAcidSetWithCarboamidomethylCys();
var aaList = new List <AminoAcid>();
foreach (var residue in AminoAcid.StandardAminoAcidCharacters)
{
var aa = aaSet.GetAminoAcid(residue);
aaList.Add(aa);
if (residue == 'M')
{
aaList.Add(new ModifiedAminoAcid(aa, Modification.Oxidation));
}
}
var nominalMassArr = aaList.Select(aa => aa.GetNominalMass()).ToArray();
var probArr = Enumerable.Repeat(0.05, nominalMassArr.Length).ToArray();
var selScoreCalculator = new SelectivityScoreCalculatorUsingNominalMasses(
nominalMassArr, probArr);
var hist = selScoreCalculator.GetPValues(848.41, new[] { 1259.5989, 1130.5563, 1059.5192, 958.4715 });
for (var t = hist.Length - 1; t >= 0; t--)
{
Console.WriteLine("{0}\t{1}", t, hist[t]);
}
}
