public static void TestSerializationPeptideFromProtein()
{
// purpose of this test is to serialize/deserialize a PeptideWithSetModifications and make sure the deserialized peptide
// has the same properties as before it was serialized. This peptide is unmodified and generated from digesting a protein
Protein protein = new Protein("PEPTIDE", "Accession1", name: "MyProtein");
PeptideWithSetModifications peptide = protein.Digest(new DigestionParams(), new List <Modification>(), new List <Modification>()).First();
PeptideWithSetModifications deserializedPeptide = null;
string dir = System.IO.Path.Combine(TestContext.CurrentContext.TestDirectory, "TestSerializationPeptideFromProtein");
System.IO.Directory.CreateDirectory(dir);
string path = System.IO.Path.Combine(dir, "myPeptideIndex.ind");
var messageTypes = typeof(PeptideWithSetModifications);
var ser = new NetSerializer.Serializer(new List <Type> {
messageTypes
});
using (var file = System.IO.File.Create(path))
{
ser.Serialize(file, peptide);
}
using (var file = System.IO.File.OpenRead(path))
{
deserializedPeptide = (PeptideWithSetModifications)ser.Deserialize(file);
}
deserializedPeptide.SetNonSerializedPeptideInfo(new Dictionary <string, Modification>(), new Dictionary <string, Protein> {
{ protein.Accession, protein }
}, peptide.DigestionParams);
Assert.That(peptide.DigestionParams.Equals(deserializedPeptide.DigestionParams));
Assert.That(peptide.Equals(deserializedPeptide));
Assert.That(deserializedPeptide.Protein.Name == peptide.Protein.Name);
Assert.That(deserializedPeptide.MonoisotopicMass == peptide.MonoisotopicMass);
Assert.That(deserializedPeptide.SequenceWithChemicalFormulas == peptide.SequenceWithChemicalFormulas);
var products = new List <Product>();
deserializedPeptide.Fragment(DissociationType.HCD, FragmentationTerminus.Both, products);
List <double> deserializedPeptideFragments = products.Select(v => v.NeutralMass).ToList();
peptide.Fragment(DissociationType.HCD, FragmentationTerminus.Both, products);
List <double> peptideFragments = products.Select(v => v.NeutralMass).ToList();
Assert.That(deserializedPeptideFragments.SequenceEqual(peptideFragments));
}
public static void TestSerializationPeptideFromString()
{
// purpose of this test is to serialize/deserialize a PeptideWithSetModifications and make sure the deserialized peptide
// has the same properties as before it was serialized. This peptide is unmodified and generated from reading in a string
string sequence = "PEPTIDE";
PeptideWithSetModifications peptide = new PeptideWithSetModifications(sequence, new Dictionary <string, Modification>(), 0, null, null, 1, 7, 0);
PeptideWithSetModifications deserializedPeptide = null;
string dir = System.IO.Path.Combine(TestContext.CurrentContext.TestDirectory, "TestSerializationPeptideFromString");
System.IO.Directory.CreateDirectory(dir);
string path = System.IO.Path.Combine(dir, "myPeptideIndex.ind");
var messageTypes = typeof(PeptideWithSetModifications);
var ser = new NetSerializer.Serializer(new List <Type> {
messageTypes
});
using (var file = System.IO.File.Create(path))
{
ser.Serialize(file, peptide);
}
using (var file = System.IO.File.OpenRead(path))
{
deserializedPeptide = (PeptideWithSetModifications)ser.Deserialize(file);
}
deserializedPeptide.SetNonSerializedPeptideInfo(new Dictionary <string, Modification>(), new Dictionary <string, Protein>(), null);
// not asserting any protein properties - since the peptide was created from a sequence string it didn't have a protein to begin with
Assert.That(peptide.Equals(deserializedPeptide));
Assert.That(deserializedPeptide.MonoisotopicMass == peptide.MonoisotopicMass);
Assert.That(deserializedPeptide.SequenceWithChemicalFormulas == peptide.SequenceWithChemicalFormulas);
var products = new List <Product>();
deserializedPeptide.Fragment(DissociationType.HCD, FragmentationTerminus.Both, products);
List <double> deserializedPeptideFragments = products.Select(v => v.NeutralMass).ToList();
peptide.Fragment(DissociationType.HCD, FragmentationTerminus.Both, products);
List <double> peptideFragments = products.Select(v => v.NeutralMass).ToList();
Assert.That(deserializedPeptideFragments.SequenceEqual(peptideFragments));
}
public static void TestSerializationPeptideFromProteinWithMod()
{
// purpose of this test is to serialize/deserialize a PeptideWithSetModifications and make sure the deserialized peptide
// has the same properties as before it was serialized. This peptide is modified with a phosphorylation
ModificationMotif.TryGetMotif("T", out ModificationMotif motif);
Dictionary <DissociationType, List <double> > myNeutralLosses = new Dictionary <DissociationType, List <double> >()
{
{ DissociationType.HCD, new List <double> {
ChemicalFormula.ParseFormula("H3 O4 P1").MonoisotopicMass
} },
{ DissociationType.ETD, new List <double>()
{
ChemicalFormula.ParseFormula("H3 N1").MonoisotopicMass
} } // this makes no sense in real life, it's just for a unit test
};
Modification mod = new Modification(_originalId: "phospho", _modificationType: "testModType", _target: motif, _chemicalFormula: ChemicalFormula.ParseFormula("H1 O3 P1"), _neutralLosses: myNeutralLosses, _locationRestriction: "Anywhere.");
Dictionary <int, List <Modification> > mods = new Dictionary <int, List <Modification> > {
{ 4, new List <Modification> {
mod
} }
};
Protein protein = new Protein("PEPTIDE", "Accession1", name: "MyProtein", oneBasedModifications: mods);
PeptideWithSetModifications peptide = protein.Digest(new DigestionParams(), new List <Modification>(), new List <Modification>()).Where(v => v.AllModsOneIsNterminus.Count == 1).First();
PeptideWithSetModifications deserializedPeptide = null;
string dir = System.IO.Path.Combine(TestContext.CurrentContext.TestDirectory, "TestSerializationPeptideFromProteinWithMod");
System.IO.Directory.CreateDirectory(dir);
string path = System.IO.Path.Combine(dir, "myPeptideIndex.ind");
var messageTypes = typeof(PeptideWithSetModifications);
var ser = new NetSerializer.Serializer(new List <Type> {
messageTypes
});
using (var file = System.IO.File.Create(path))
{
ser.Serialize(file, peptide);
}
using (var file = System.IO.File.OpenRead(path))
{
deserializedPeptide = (PeptideWithSetModifications)ser.Deserialize(file);
}
Dictionary <string, Modification> stringToMod = new Dictionary <string, Modification> {
{ mods.Values.First().First().IdWithMotif, mods.Values.First().First() }
};
deserializedPeptide.SetNonSerializedPeptideInfo(stringToMod, new Dictionary <string, Protein> {
{ protein.Accession, protein }
}, peptide.DigestionParams);
Assert.That(peptide.Equals(deserializedPeptide));
Assert.That(deserializedPeptide.Protein.Name == peptide.Protein.Name);
Assert.That(deserializedPeptide.MonoisotopicMass == peptide.MonoisotopicMass);
Assert.That(deserializedPeptide.SequenceWithChemicalFormulas == peptide.SequenceWithChemicalFormulas);
var products = new List <Product>();
deserializedPeptide.Fragment(DissociationType.HCD, FragmentationTerminus.Both, products);
List <double> deserializedPeptideFragments = products.Select(v => v.NeutralMass).ToList();
peptide.Fragment(DissociationType.HCD, FragmentationTerminus.Both, products);
List <double> peptideFragments = products.Select(v => v.NeutralMass).ToList();
Assert.That(deserializedPeptideFragments.SequenceEqual(peptideFragments));
}