public void TestTaeAminoAcidDescriptor()
{
var pepseq = ProteinBuilderTool.CreateProtein("ACDEFGH", CDK.Builder);
var result = CreateDescriptor().Calculate(pepseq);
Assert.AreEqual(147, result.Values.Count);
}
public void TestFCount()
{
var protein = ProteinBuilderTool.CreateProtein("FF", Silent.ChemObjectBuilder.Instance);
var result = CreateDescriptor().Calculate(protein);
Assert.AreEqual(2, result.NumberOfG);
Assert.AreEqual(4, result.NumberOfF); // thingy is symmetrical, so two mappings at each AA position possible
}
public void TestTCount()
{
var protein = ProteinBuilderTool.CreateProtein("TT");
var result = CreateDescriptor().Calculate(protein);
Assert.AreEqual(2, result.NumberOfG);
Assert.AreEqual(2, result.NumberOfT);
}
public void TestAACount()
{
var protein = ProteinBuilderTool.CreateProtein("ARNDCFQEGHIPLKMSTYVW");
var result = CreateDescriptor().Calculate(protein);
foreach (var n in result.Values)
{
Assert.IsTrue(n >= 1); // all AAs are found at least once
}
Assert.AreEqual(20, result.NumberOfG); // glycine is in all of them, so 20 times
}