public IGlycoPeptideProxy Generate(IGlycan glycan, IPeptide peptide, int modifySite)
{
if (glycan is ITableNGlycanMassProxy)
{
IGlycoPeptide glycoPeptide = new GeneralGlycoPeptide(glycan, peptide, modifySite);
IGlycoPeptideMassProxy glycoPeptideMassProxy = new GeneralGlycoPeptideMassProxy(glycoPeptide);
foreach (double glycanMass in (glycan as ITableNGlycanMassProxy).GetMass())
{
glycoPeptideMassProxy.AddMass(glycanMass +
PeptideCalcMass.Instance.Compute(glycoPeptide.GetPeptide()), MassType.Branch);
}
foreach (double glycanMass in (glycan as ITableNGlycanMassProxy).GetCoreMass())
{
glycoPeptideMassProxy.AddMass(glycanMass +
PeptideCalcMass.Instance.Compute(glycoPeptide.GetPeptide()), MassType.Core);
}
glycoPeptideMassProxy.AddRangeMass(SingaturePeakCalcMass.Instance.ComputeComplex(glycan), MassType.Glycan);
double mass = GlycanCalcMass.Instance.Compute(glycan);
foreach (double peptideMass in PTMPeptideCalcMass.Compute(peptide.GetSequence(), modifySite))
{
glycoPeptideMassProxy.AddMass(mass + peptideMass, MassType.Peptide);
}
return(glycoPeptideMassProxy);
}
else
{
throw new InvalidCastException("Can not cast to ITableNGlycanMassProxy");
}
}
public IGlycoPeptide createGlyco()
{
int[] structTable = new int[24];
structTable[0] = 1;
IPeptide peptide = new GeneralPeptide("test3", "ILGGHLDAKGSFPWQAKMVSHHNLTTGATLINEQWLLTTAK");
IGlycoPeptide glycoPeptide = new GeneralGlycoPeptide(new ComplexNGlycan(structTable), peptide, 0);
return(glycoPeptide);
}
