public void HandleTerminalModificationNameTag()
{
const string sequence = "SEQVENCE";
var modificationLookup = new BrnoModificationLookup(_elementProvider);
ProFormaDescriptor descriptor = this.CreateBrnoDescriptor("ac");
var term = new ProFormaTerm(sequence, null, new[] { descriptor }, null, null);
var proteoform = _factory.CreateProteoformGroup(term, modificationLookup);
Assert.IsNull(proteoform.LocalizedModifications);
Assert.IsNotNull(proteoform.NTerminalModification);
Assert.IsNull(proteoform.CTerminalModification);
// Residue masses plus modification plus water (approx)
Assert.AreEqual(978.36, proteoform.GetMass(MassType.Monoisotopic), 0.01);
Assert.AreEqual(978.98, proteoform.GetMass(MassType.Average), 0.01);
// C terminal case
term = new ProFormaTerm(sequence, null, null, new[] { descriptor }, null);
proteoform = _factory.CreateProteoformGroup(term, modificationLookup);
Assert.IsNull(proteoform.LocalizedModifications);
Assert.IsNull(proteoform.NTerminalModification);
Assert.IsNotNull(proteoform.CTerminalModification);
// Residue masses plus modification plus water (approx)
Assert.AreEqual(978.36, proteoform.GetMass(MassType.Monoisotopic), 0.01);
Assert.AreEqual(978.98, proteoform.GetMass(MassType.Average), 0.01);
}
public void HandleBadModificationName()
{
var modificationLookup = new BrnoModificationLookup(_elementProvider);
var term = new ProFormaTerm("SEQVENCE", tags: new List <ProFormaTag>
{
new ProFormaTag(3, new[] { this.CreateBrnoDescriptor("wrong") })
});
Assert.Throws <ProteoformModificationLookupException>(() => _factory.CreateProteoformGroup(term, modificationLookup));
}
public void HandleModificationNameTag()
{
const string sequence = "SEQVENCE";
var modificationLookup = new BrnoModificationLookup(_elementProvider);
var term = new ProFormaTerm(sequence, tags: new List <ProFormaTag>
{
new ProFormaTag(3, new[] { this.CreateBrnoDescriptor("ac") })
});
var proteoform = _factory.CreateProteoformGroup(term, modificationLookup);
Assert.IsNotNull(proteoform.LocalizedModifications);
Assert.AreEqual(1, proteoform.LocalizedModifications.Count);
Assert.AreEqual(3, ((IProteoformLocalizedModification)proteoform.LocalizedModifications.Single()).ZeroBasedStartIndex);
// Residue masses plus modification plus water (approx)
Assert.AreEqual(978.36, proteoform.GetMass(MassType.Monoisotopic), 0.01);
Assert.AreEqual(978.98, proteoform.GetMass(MassType.Average), 0.01);
}