private void ListIDPeak(GlycanStructure argStructure)
{
DataTable dtIDPeak = new DataTable();
DataColumn dcMass = new DataColumn("Glycopeptide m/z", Type.GetType("System.Single"));
DataColumn dcScore = new DataColumn("Score", Type.GetType("System.Single"));
DataColumn dcStructure = new DataColumn("Structure", typeof(Image));
dtIDPeak.Columns.Add(dcMass);
dtIDPeak.Columns.Add(dcScore);
dtIDPeak.Columns.Add(dcStructure);
dgIDPeak.DataSource = dtIDPeak;
dgIDPeak.Columns[0].Width = 70;
dgIDPeak.Columns[1].Width = 50;
dgIDPeak.Columns[2].Width = 315;
dtIDPeak.DefaultView.Sort = "Glycopeptide m/z";
GlycansDrawer GDraw;
foreach (GlycanTreeNode GT in argStructure.Root.FetchAllGlycanNode())
{
DataRow row = dtIDPeak.NewRow();
row[0] = GT.IDMass;
row[1] = GT.IDIntensity;
string tmp = argStructure.GetSequqncedIUPACwNodeID(GT.NodeID);
GDraw = new GlycansDrawer(tmp);
row[2] = GDraw.GetImage();
dtIDPeak.Rows.Add(row);
GT.GetIUPACString();
}
dgIDPeak.Sort(dgIDPeak.Columns[0], ListSortDirection.Descending);
for (int i = 0; i < dtIDPeak.Rows.Count; i++)
{
this.dgIDPeak.AutoResizeRow(i);
}
this.dgIDPeak.Columns[2].DefaultCellStyle.Alignment = DataGridViewContentAlignment.MiddleLeft;
}
public void DrawsequencingGraph(GlycanStructure argStructure)
{
zedSequence.GraphPane.GraphObjList.Clear();
zedSequence.GraphPane.Legend.IsVisible = false;
List <String> tmp = argStructure.Root.GetSequencingMapList();
if (tmp.Count == 0)
{
return;
}
float Xmin = Convert.ToSingle(tmp[0].Split('-')[0]);
float Xmax = Convert.ToSingle(tmp[tmp.Count - 1].Split('-')[2]);
if (Xmax == 0.0f)
{
Xmax = scan.MSPeaks[scan.MSPeaks.Count - 1].MonoMass;
}
double YMax = 0.0;
ZedGraph.PointPairList pplPeak = new ZedGraph.PointPairList();
for (int i = 0; i < GS.FilteredPeaks.Count; i++)
{
if (GS.FilteredPeaks[i].Mass >= Xmin + 10.0f && GS.FilteredPeaks[i].Mass <= Xmax + 10.0f)
{
if (GS.FilteredPeaks[i].Intensity > YMax)
{
YMax = GS.FilteredPeaks[i].Intensity;
}
}
}
for (int i = 0; i < GS.FilteredPeaks.Count; i++)
{
if (GS.FilteredPeaks[i].Mass >= Xmin + 10.0f && GS.FilteredPeaks[i].Mass <= Xmax + 10.0f)
{
pplPeak.Add(GS.FilteredPeaks[i].Mass, GS.FilteredPeaks[i].Intensity / YMax * 100.0f);
}
}
ZedGraph.GraphPane Pane = zedSequence.GraphPane;
Pane.XAxis.MajorTic.IsInside = false;
Pane.XAxis.MinorTic.IsInside = false;
Pane.CurveList.Clear();
Pane.AddStick("Peaks", pplPeak, Color.Red);
//Pane.XAxis.Scale.Min = Xmin - 10;
//Pane.XAxis.Scale.Max = Xmax + 10;
Pane.Title.Text = "No. " + txtScanNo.Text + "; Y1 m/z:" + argStructure.Y1.Mass.ToString("0.000");//+ " Structure:" + Convert.ToString(dgView.Rows[e.RowIndex].Cells[0].Value);
Pane.AxisChange();
double YLevel = YMax;
double outX, outY, outY2, diff;
Pane.ReverseTransform(new Point(100, 100), out outX, out outY);
Pane.ReverseTransform(new Point(100, 110), out outX, out outY2);
diff = outY - outY2;
GlycanTreeNode GT = argStructure.Root;//GS.GlycanTrees[e.RowIndex];
//Peak Interval
//List<string> SeqList = new List<string>();
//for (int i = 0; i < GT.GetSequencingMapList().Count; i++)
//{
// //Split the string
// string[] strArray = GT.GetSequencingMapList()[i].Split('-');
// ZedGraph.TextObj TxtObg = new ZedGraph.TextObj();
// TxtObg.Text = strArray[1];
// double Start = Convert.ToDouble(strArray[0]);
// double End = Convert.ToDouble(strArray[2]);
// System.Drawing.Drawing2D.DashStyle LineStyle = DashStyle.Solid;
// if (Start == 0)
// {
// if (strArray[1] == "HexNAc")
// {
// Start = End - GlycanMass.GetGlycanMasswithCharge(Glycan.Type.HexNAc, GT.Charge);
// }
// else if (strArray[1] == "DeHex")
// {
// Start = End - GlycanMass.GetGlycanMasswithCharge(Glycan.Type.DeHex, GT.Charge);
// }
// else if (strArray[1] == "Hex")
// {
// Start = End - GlycanMass.GetGlycanMasswithCharge(Glycan.Type.Hex, GT.Charge);
// }
// else if (strArray[1] == "NeuAc")
// {
// Start = End - GlycanMass.GetGlycanMasswithCharge(Glycan.Type.NeuAc, GT.Charge);
// }
// else
// {
// Start = End - GlycanMass.GetGlycanMasswithCharge(Glycan.Type.NeuGc, GT.Charge);
// }
// TxtObg.Text = TxtObg.Text + "?";
// LineStyle = DashStyle.Dash;
// }
// else
// {
// if (strArray[1] == "HexNAc")
// {
// Start = End - GlycanMass.GetGlycanMasswithCharge(Glycan.Type.HexNAc, GT.Charge);
// }
// else if (strArray[1] == "DeHex")
// {
// Start = End - GlycanMass.GetGlycanMasswithCharge(Glycan.Type.DeHex, GT.Charge);
// }
// else if (strArray[1] == "Hex")
// {
// Start = End - GlycanMass.GetGlycanMasswithCharge(Glycan.Type.Hex, GT.Charge);
// }
// else if (strArray[1] == "NeuAc")
// {
// Start = End - GlycanMass.GetGlycanMasswithCharge(Glycan.Type.NeuAc, GT.Charge);
// }
// else
// {
// Start = End - GlycanMass.GetGlycanMasswithCharge(Glycan.Type.NeuGc, GT.Charge);
// }
// }
// if (End == 0)
// {
// if (strArray[1] == "HexNAc")
// {
// End = Start + GlycanMass.GetGlycanMasswithCharge(Glycan.Type.HexNAc, GT.Charge);
// }
// else if (strArray[1] == "DeHex")
// {
// End = Start + GlycanMass.GetGlycanMasswithCharge(Glycan.Type.DeHex, GT.Charge);
// }
// else if (strArray[1] == "Hex")
// {
// End = Start + GlycanMass.GetGlycanMasswithCharge(Glycan.Type.Hex, GT.Charge);
// }
// else if (strArray[1] == "NeuAc")
// {
// End = Start + GlycanMass.GetGlycanMasswithCharge(Glycan.Type.NeuAc, GT.Charge);
// }
// else
// {
// End = Start + GlycanMass.GetGlycanMasswithCharge(Glycan.Type.NeuGc, GT.Charge);
// }
// TxtObg.Text = TxtObg.Text + "?";
// LineStyle = DashStyle.Dash;
// }
// //Determine the Y level
// int Ylevel = 0;
// if (SeqList.Count == 0)
// {
// SeqList.Add(Start.ToString() + "," + End.ToString() + ",0");
// }
// else
// {
// for (int j = i - 1; j >= 0; j--)
// {
// double PreStart = Convert.ToDouble(SeqList[j].Split(',')[0]);
// double PreEnd = Convert.ToDouble(SeqList[j].Split(',')[1]);
// int Prelevel = Convert.ToInt32(SeqList[j].Split(',')[2]);
// if ((PreStart <= Start && Start <= PreEnd))
// {
// if (Math.Abs(PreEnd - Start) <= 10.0)
// {
// Ylevel = Prelevel;
// break;
// }
// else
// {
// Ylevel = Prelevel + 1;
// break;
// }
// }
// }
// SeqList.Add(Start.ToString() + "," + End.ToString() + "," + Ylevel.ToString());
// }
// TxtObg.FontSpec.Size = TxtObg.FontSpec.Size * 0.8f;
// YLevel = YMax + diff * Ylevel;
// ZedGraph.LineObj Lne = new ZedGraph.LineObj(Start, YLevel + diff, Start, YLevel - diff); //Left V Line
// Pane.GraphObjList.Add(Lne);
// Lne = new ZedGraph.LineObj(End, YLevel + diff, End, YLevel - diff); //Right V Line
// Pane.GraphObjList.Add(Lne);
// Lne = new ZedGraph.LineObj(Start, YLevel, End, YLevel); //Add Line
// Lne.Line.Style = LineStyle;
// Pane.GraphObjList.Add(Lne);
// //ZedGraph.ArrowObj arr= new ZedGraph.ArrowObj(Start, YLevel, End, YLevel);
// //arr.IsArrowHead = true;
// //arr.Line.Style = LineStyle;
// //Pane.GraphObjList.Add(arr);
// TxtObg.Location = new ZedGraph.Location(((Start + End) / 2), (double)YLevel, ZedGraph.CoordType.AxisXYScale);
// TxtObg.FontSpec.Border.IsVisible = false;
// TxtObg.Location.AlignH = ZedGraph.AlignH.Center;
// TxtObg.Location.AlignV = ZedGraph.AlignV.Center;
// Pane.GraphObjList.Insert(0, TxtObg);
//}
/////Annotation
GlycansDrawer GDraw;
double previousX2 = 0;
List <GlycanTreeNode> Fragements = argStructure.Root.FetchAllGlycanNode();
Fragements.Sort(delegate(GlycanTreeNode T1, GlycanTreeNode T2) { return(Comparer <float> .Default.Compare(T1.IDMass, T2.IDMass)); });
foreach (GlycanTreeNode FGS in Fragements)
{
string Exp = argStructure.GetIUPACfromParentToNodeID(FGS.NodeID);
//Queue<string> tmpQue = new Queue<string>();
//for (int i = 0; i < Exp.Length; i++)
//{
// int NodeID = 0;
// if (Exp[i].StartsWith("(") || Exp[i].StartsWith(")"))
// {
// NodeID = Convert.ToInt32(Exp[i].Split(',')[0].Substring(1));
// }
// else
// {
// NodeID = Convert.ToInt32(Exp[i].Split(',')[0]);
// }
// if (NodeID > FGS.NodeID)
// {
// if (Exp[i].StartsWith("(") || Exp[i].StartsWith(")"))
// {
// tmpQue.Enqueue(Exp[i].Substring(0, 1)); //
// }
// }
// else
// {
// tmpQue.Enqueue(Exp[i]);
// }
//}
//string IUPAC = "";
//do
//{
// string tmp =tmpQue.Dequeue();
// if(tmp == "(" && tmpQue.Peek() == ")" )
// {
// }
//}while(tmpQue.Count!=0)
string tmpIUPAC = argStructure.GetSequqncedIUPACwNodeID(FGS.NodeID);
GDraw = new GlycansDrawer(tmpIUPAC);
float glycopeptideMZ = FGS.IDMass;
if (double.IsNaN(glycopeptideMZ))
{
continue;
}
Image imgStructure = RotateImage(GDraw.GetImage(), 270);
double PositionX = glycopeptideMZ;
if (previousX2 >= PositionX)
{
PositionX = previousX2 + 20;
}
ZedGraph.ImageObj glycan = new ZedGraph.ImageObj(imgStructure, PositionX, 130, imgStructure.Width * 0.3f, imgStructure.Height * 0.3f);
glycan.IsScaled = true;
glycan.Location.AlignV = ZedGraph.AlignV.Bottom;
Pane.GraphObjList.Add(glycan);
ZedGraph.TextObj txtGlycanMz = new ZedGraph.TextObj(glycopeptideMZ.ToString("0.000"), 100, 140);
txtGlycanMz.Location.X = Pane.GraphObjList[Pane.GraphObjList.Count - 1].Location.X1 + (Pane.GraphObjList[Pane.GraphObjList.Count - 1].Location.X2 - Pane.GraphObjList[Pane.GraphObjList.Count - 1].Location.X1) / 2;
txtGlycanMz.FontSpec.Size = txtGlycanMz.FontSpec.Size * 0.5f;
txtGlycanMz.FontSpec.Border.IsVisible = false;
Pane.GraphObjList.Add(txtGlycanMz);
if (Pane.GraphObjList[Pane.GraphObjList.Count - 1].Location.X2 > Pane.GraphObjList[Pane.GraphObjList.Count - 2].Location.X2)
{
previousX2 = Pane.GraphObjList[Pane.GraphObjList.Count - 1].Location.X2;
}
else
{
previousX2 = Pane.GraphObjList[Pane.GraphObjList.Count - 2].Location.X2;
}
}
Pane.AxisChange();
Pane.YAxis.Scale.Max = 145;
Pane.XAxis.Scale.Min = Convert.ToInt32(argStructure.Y1.Mass - 100);
Pane.XAxis.Scale.Max = pplPeak[pplPeak.Count - 1].X + 100;
////////////
//Glycan Structure on the Right Top Header
////////////
GDraw = new GlycansDrawer(argStructure.IUPACString, false);
Image imgStruc = GDraw.GetImage();
ZedGraph.ImageObj fullStructure = new ZedGraph.ImageObj(imgStruc, 0.01f, 0.01f, imgStruc.Width, imgStruc.Height);
fullStructure.IsScaled = false;
Pane.GraphObjList.Add(fullStructure);
Pane.GraphObjList[Pane.GraphObjList.Count - 1].Location.CoordinateFrame = ZedGraph.CoordType.PaneFraction;
zedSequence.AxisChange();
zedSequence.Refresh();
}