Exemplo n.º 1
0
            public MockTranPeakData(double[] data,
                                    IonType ionType            = IonType.a,
                                    IsotopeLabelType labelType = null,
                                    int charge               = 2,
                                    double?massError         = null,
                                    double libIntensity      = 0,
                                    double?isotopeProportion = null)
            {
                if (labelType == null)
                {
                    labelType = IsotopeLabelType.light;
                }
                PeakData = new MockPeakData(data, massError) as TPeak;
                var peptide     = new Peptide(null, "AVVAVVA", null, null, 0);
                var tranGroup   = new TransitionGroup(peptide, null, charge, labelType);
                int offset      = ionType == IonType.precursor ? 6 : 0;
                var isotopeInfo = isotopeProportion == null ? null : new TransitionIsotopeDistInfo(1, (float)isotopeProportion);

                NodeTran = new TransitionDocNode(new Transition(tranGroup, ionType, offset, 0, charge, null),
                                                 null, 0, isotopeInfo, new TransitionLibInfo(1, (float)libIntensity));
            }
Exemplo n.º 2
0
            public MockTranPeakData(double[] data,
                                    IonType ionType            = IonType.a,
                                    IsotopeLabelType labelType = null,
                                    int?charge               = null,
                                    double?massError         = null,
                                    double libIntensity      = 0,
                                    double?isotopeProportion = null)
            {
                if (labelType == null)
                {
                    labelType = IsotopeLabelType.light;
                }
                PeakData = new MockPeakData(data, massError) as TPeak;
                var peptide = new Peptide(null, "AVVAVVA", null, null, 0);

                charge = charge ?? 2;
                var tranGroup   = new TransitionGroup(peptide, Adduct.FromChargeProtonated(charge), labelType);
                int offset      = ionType == IonType.precursor ? 6 : 0;
                var isotopeInfo = isotopeProportion == null ? null : new TransitionIsotopeDistInfo(1, (float)isotopeProportion);

                NodeTran = new TransitionDocNode(new Transition(tranGroup, ionType, offset, 0, Adduct.FromChargeProtonated(charge), null),
                                                 null, TypedMass.ZERO_MONO_MASSH, new TransitionDocNode.TransitionQuantInfo(isotopeInfo, new TransitionLibInfo(1, (float)libIntensity), true));
            }