private static void WritePeptideToConsole(Peptide peptide) { ChemicalFormula formula; peptide.TryGetChemicalFormula(out formula); Console.WriteLine("{0,-5} {1,-5} {2,-5}", peptide, formula, peptide.MonoisotopicMass); }
public void PeptideMassTryptic() { ChemicalFormula formula = new ChemicalFormula("C37H66N12O21"); ChemicalFormula formula2; _mockTrypticPeptide.TryGetChemicalFormula(out formula2); Assert.AreEqual(formula, formula2); }
public void EmptyPeptideFormulaIsH2O() { Peptide pepA = new Peptide(); ChemicalFormula h2O = new ChemicalFormula("H2O"); ChemicalFormula formulaB; pepA.TryGetChemicalFormula(out formulaB); Assert.AreEqual(h2O, formulaB); }
public void ParseCTerminalNamedChemicalModification() { Peptide peptide = new Peptide("TTGSSSSSSSK-[Carbamidomethyl]"); ChemicalFormula formulaA = new ChemicalFormula("C39H69N13O22"); ChemicalFormula formulaB; peptide.TryGetChemicalFormula(out formulaB); Assert.AreEqual(formulaA, formulaB); }
public void ParseCTerminalChemicalFormulaWithLastResidueMod() { Peptide peptide = new Peptide("TTGSSSSSSSK[H2O]-[C2H3NO]"); ChemicalFormula formulaA = new ChemicalFormula("C39H71N13O23"); ChemicalFormula formulaB; peptide.TryGetChemicalFormula(out formulaB); Assert.AreEqual(formulaA, formulaB); }
public void ParseCTerminalChemicalFormula() { Peptide peptide = new Peptide("TTGSSSSSSSK-[C2H3NO]"); ChemicalFormula formulaA = new ChemicalFormula("C39H69N13O22"); ChemicalFormula formulaB; peptide.TryGetChemicalFormula(out formulaB); Assert.AreEqual(formulaA, formulaB); }
public void EmptyPeptideFormulaIsH2O() { Peptide pepA = new Peptide(); ChemicalFormula h2O = new ChemicalFormula("H2O"); ChemicalFormula formulaB; pepA.TryGetChemicalFormula(out formulaB); Assert.AreEqual(h2O, formulaB); }
public void PeptideMassGlycine() { Peptide pep = new Peptide("G"); ChemicalFormula formula = new ChemicalFormula("C2H5NO2"); ChemicalFormula formula2; pep.TryGetChemicalFormula(out formula2); Assert.AreEqual(formula, formula2); }
public void ParseNAndCTerminalNamedChemicalModification() { Peptide peptide = new Peptide("[Carbamidomethyl]-TTGSSSSSSSK-[Carbamidomethyl]"); ChemicalFormula formulaA = new ChemicalFormula("C41H72N14O23"); ChemicalFormula formulaB; peptide.TryGetChemicalFormula(out formulaB); Assert.AreEqual(formulaA, formulaB); }
public void ParseNAndCTerminalChemicalFormula() { Peptide peptide = new Peptide("[C2H3NO]-TTGSSSSSSSK-[C2H3NO]"); ChemicalFormula formulaA = new ChemicalFormula("C41H72N14O23"); ChemicalFormula formulaB; peptide.TryGetChemicalFormula(out formulaB); Assert.AreEqual(formulaA, formulaB); }
public void PeptideMassGlycine() { Peptide pep = new Peptide("G"); ChemicalFormula formula = new ChemicalFormula("C2H5NO2"); ChemicalFormula formula2; pep.TryGetChemicalFormula(out formula2); Assert.AreEqual(formula,formula2); }
private static void WritePeptideToConsole(Peptide peptide) { ChemicalFormula formula; peptide.TryGetChemicalFormula(out formula); Console.WriteLine("{0,-5} {1,-5} {2,-5}", peptide, formula, peptide.MonoisotopicMass); }
public void ParseNTerminalNamedChemicalModification() { Peptide peptide = new Peptide("[Carbamidomethyl]-TTGSSSSSSSK"); ChemicalFormula formulaA = new ChemicalFormula("C39H69N13O22"); ChemicalFormula formulaB; peptide.TryGetChemicalFormula(out formulaB); Assert.AreEqual(formulaA, formulaB); }
public void ParseNTerminalChemicalFormula() { Peptide peptide = new Peptide("[C2H3NO]-TTGSSSSSSSK"); ChemicalFormula formulaA = new ChemicalFormula("C39H69N13O22"); ChemicalFormula formulaB; peptide.TryGetChemicalFormula(out formulaB); Assert.AreEqual(formulaA, formulaB); }
public void ParseNAndCTerminalNamedChemicalModification() { Peptide peptide = new Peptide("[Carbamidomethyl]-TTGSSSSSSSK-[Carbamidomethyl]"); ChemicalFormula formulaA = new ChemicalFormula("C41H72N14O23"); ChemicalFormula formulaB; peptide.TryGetChemicalFormula(out formulaB); Assert.AreEqual(formulaA, formulaB); }
public void ParseNAndCTerminalChemicalFormula() { Peptide peptide = new Peptide("[C2H3NO]-TTGSSSSSSSK-[C2H3NO]"); ChemicalFormula formulaA = new ChemicalFormula("C41H72N14O23"); ChemicalFormula formulaB; peptide.TryGetChemicalFormula(out formulaB); Assert.AreEqual(formulaA, formulaB); }
public void ParseCTerminalChemicalFormulaWithLastResidueMod() { Peptide peptide = new Peptide("TTGSSSSSSSK[H2O]-[C2H3NO]"); ChemicalFormula formulaA = new ChemicalFormula("C39H71N13O23"); ChemicalFormula formulaB; peptide.TryGetChemicalFormula(out formulaB); Assert.AreEqual(formulaA, formulaB); }