private void SetupUnimod() { var atomProvider = new UnimodHardCodedAtomProvider(_elementProvider); var parser = new UnimodOboParser(); UnimodModification[] modifications = parser.Parse(UnimodTest.GetUnimodFilePath()).ToArray(); _unimod37 = modifications.Single(x => x.Id == "UNIMOD:37"); //_unimodLookup = UnimodModificationLookup.CreateFromModifications(new[] { _unimod37 }, // atomProvider); _unimodLookup = UnimodModificationLookup.CreateFromModifications(modifications, atomProvider); }
public void Setup() { var unimodOboParser = new UnimodOboParser(); UnimodModification[] modifications = unimodOboParser.Parse(UnimodTest.GetUnimodFilePath()).ToArray(); NistElementParser nistParser = new NistElementParser(); IElement[] elements = nistParser.ParseFile(Path.Combine(TestContext.CurrentContext.TestDirectory, "TestData", "elements.dat")).ToArray(); _elementProvider = new InMemoryElementProvider(elements); _residueProvider = new IupacAminoAcidProvider(_elementProvider); var atomProvider = new UnimodHardCodedAtomProvider(_elementProvider); _lookup = new CompositeModificationLookup(new IProteoformModificationLookup[] { UnimodModificationLookup.CreateFromModifications(modifications, atomProvider), new FormulaLookup(_elementProvider), new MassLookup(), new BrnoModificationLookup(_elementProvider), new IgnoreKeyModificationLookup(ProFormaKey.Info), }); ProFormaParser proFormaParser = new ProFormaParser(); ProteoformGroupFactory proteoformGroupFactory = new ProteoformGroupFactory(_elementProvider, _residueProvider); var mapper = new RelayAccessionMapper(d => { if (d == "B:ac") { return(Tuple.Create(ProFormaEvidenceType.PsiMod, "MOD:00394")); // acetylated residue } return(Tuple.Create(ProFormaEvidenceType.None, d)); }); var parser = new UniProtPtmListParser(); var entries = parser.Parse(File.ReadAllText(UniProtTests.GetPtmListPath())).ToList(); _chemicalProteoformHashGenerator = new ChemicalProteoformHashGenerator(proFormaParser, proteoformGroupFactory, _lookup, mapper); }