public GlycanStructure(Glycan argGlycan, MSPoint argPeak)
{
_tree = new GlycanTreeNode(argGlycan.GlycanType, _nextID);
_nextID++;
_y1 = argPeak;
_IUPAC = _tree.GetIUPACString();
}
public GlycanStructure(Glycan argGlycan, float argY1)
{
_tree = new GlycanTreeNode(argGlycan.GlycanType, _nextID);
_nextID++;
_y1 = new MSPoint(argY1, 0.0f);
_IUPAC = _tree.GetIUPACString();
}
public void AddGlycanToStructure(GlycanTreeNode argAddTree, int argParentID)
{
GlycanTreeNode Parent = GetGlycanTreeByID(argParentID);
if (Parent != null)
{
foreach (GlycanTreeNode GT in argAddTree.FetchAllGlycanNode())
{
GT.NodeID = _nextID;
_nextID++;
}
argAddTree.Parent = Parent;
Parent.AddGlycanSubTree(argAddTree);
// Parent.UpdateGlycans();
Parent.SortSubTree();
_IUPAC = _tree.GetIUPACString();
}
}
public static TreeNode Convert2TreeView(GlycanTreeNode argRoot)
{
Stack <GlycanTreeNode> NodeStack = new Stack <GlycanTreeNode>();
NodeStack.Push(argRoot);
TreeNode root = new TreeNode(argRoot.NodeID + "-" + argRoot.GlycanType.ToString());
foreach (GlycanTreeNode GN in argRoot.TravelGlycanTreeBFS())
{
if (GN.Parent == null)
{
continue;
}
string PID = GN.Parent.NodeID + "-" + GN.Parent.GlycanType.ToString();
TreeNode ParentNode = FindNode(root, PID);
ParentNode.Nodes.Add(GN.NodeID + "-" + GN.GlycanType.ToString());
}
return(root);
}
public StructureRule(string argIUPAC, int argDistance, string argOperator,FiltereTypes argType)
{
_structure = GlycanTreeNode.IUPACToGlycanTree(argIUPAC);
_type = argType;
_distanceOperator = argOperator;
_distanceToRoot = argDistance;
//if(argDistance.Contains("=") || argDistance.Contains("<") || argDistance.Contains(">"))
//{
// _distanceOperator = argDistance.Substring(0,1);
// _distanceToRoot = Convert.ToInt32(argDistance.Substring(1));
//}
//else if (argDistance.Contains("*"))
//{
// _distanceOperator = "";
// _distanceToRoot = -999;
//}
//else
//{
// _distanceOperator = "";
// _distanceToRoot = Convert.ToInt32(argDistance);
//}
}
public StructureRule(string argIUPAC, int argDistance, string argOperator, FiltereTypes argType)
{
_structure = GlycanTreeNode.IUPACToGlycanTree(argIUPAC);
_type = argType;
_distanceOperator = argOperator;
_distanceToRoot = argDistance;
//if(argDistance.Contains("=") || argDistance.Contains("<") || argDistance.Contains(">"))
//{
// _distanceOperator = argDistance.Substring(0,1);
// _distanceToRoot = Convert.ToInt32(argDistance.Substring(1));
//}
//else if (argDistance.Contains("*"))
//{
// _distanceOperator = "";
// _distanceToRoot = -999;
//}
//else
//{
// _distanceOperator = "";
// _distanceToRoot = Convert.ToInt32(argDistance);
//}
}
public void RemoveSubtree(GlycanTreeNode argTree, GlycanTreeNode argRemoveTree)
{
int TargetLevel = argRemoveTree.DistanceRoot;
GlycanTreeNode CurrentTree = argTree;
Queue ChildQuene = new Queue();
do
{
if (CurrentTree.DistanceRoot < TargetLevel)
{
if (CurrentTree.GetChildren() == null) //Other Branch
{
CurrentTree = (GlycanTreeNode)ChildQuene.Dequeue();
}
else
{
if (CurrentTree.GetChildren().Count > 1)
{
for (int i = 1; i < CurrentTree.GetChildren().Count; i++)
{
ChildQuene.Enqueue(CurrentTree.GetChildren()[i]);
}
}
CurrentTree = CurrentTree.GetChildren()[0];
}
}
else
{
if (CurrentTree.GetIUPACString() == argRemoveTree.GetIUPACString())
{
CurrentTree = CurrentTree.Parent;
CurrentTree.GetChildren().Remove(argRemoveTree);
}
}
} while (true);
}
public static List <GlycanTreeNode> FragementGlycanTree(GlycanTreeNode argTree)
{
List <GlycanTreeNode> _fragment = new List <GlycanTreeNode>();
Queue ChildQueue = new Queue();
GlycanTreeNode CurrentTree = argTree;
do
{
GlycanTreeNode tmpTree = (GlycanTreeNode)argTree.Clone();
if (CurrentTree.GetChildren() != null)
{
if (CurrentTree.GetChildren().Count == 1)
{
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[0]);
_fragment.Add(tmpTree);
CurrentTree = CurrentTree.GetChildren()[0];
}
else if (CurrentTree.GetChildren().Count == 2)
{
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[0]);
_fragment.Add(tmpTree);
tmpTree = (GlycanTreeNode)argTree.Clone();
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[1]);
_fragment.Add(tmpTree);
tmpTree = (GlycanTreeNode)argTree.Clone();
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[0]);
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[1]);
_fragment.Add(tmpTree);
ChildQueue.Enqueue(CurrentTree.GetChildren()[1]);
CurrentTree = CurrentTree.GetChildren()[0];
}
else if (CurrentTree.GetChildren().Count == 3)
{
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[0]);
_fragment.Add(tmpTree);
tmpTree = (GlycanTreeNode)argTree.Clone();
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[1]);
_fragment.Add(tmpTree);
tmpTree = (GlycanTreeNode)argTree.Clone();
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[2]);
_fragment.Add(tmpTree);
tmpTree = (GlycanTreeNode)argTree.Clone();
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[0]);
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[1]);
_fragment.Add(tmpTree);
tmpTree = (GlycanTreeNode)argTree.Clone();
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[0]);
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[2]);
_fragment.Add(tmpTree);
tmpTree = (GlycanTreeNode)argTree.Clone();
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[1]);
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[2]);
_fragment.Add(tmpTree);
tmpTree = (GlycanTreeNode)argTree.Clone();
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[0]);
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[1]);
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[2]);
_fragment.Add(tmpTree);
ChildQueue.Enqueue(CurrentTree.GetChildren()[1]);
ChildQueue.Enqueue(CurrentTree.GetChildren()[2]);
CurrentTree = CurrentTree.GetChildren()[0];
}
else if (CurrentTree.GetChildren().Count == 4)
{
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[0]);
_fragment.Add(tmpTree);
tmpTree = (GlycanTreeNode)argTree.Clone();
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[1]);
_fragment.Add(tmpTree);
tmpTree = (GlycanTreeNode)argTree.Clone();
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[2]);
_fragment.Add(tmpTree);
tmpTree = (GlycanTreeNode)argTree.Clone();
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[3]);
_fragment.Add(tmpTree);
tmpTree = (GlycanTreeNode)argTree.Clone();
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[0]);
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[1]);
_fragment.Add(tmpTree);
tmpTree = (GlycanTreeNode)argTree.Clone();
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[0]);
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[2]);
_fragment.Add(tmpTree);
tmpTree = (GlycanTreeNode)argTree.Clone();
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[0]);
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[3]);
_fragment.Add(tmpTree);
tmpTree = (GlycanTreeNode)argTree.Clone();
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[1]);
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[2]);
_fragment.Add(tmpTree);
tmpTree = (GlycanTreeNode)argTree.Clone();
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[1]);
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[3]);
_fragment.Add(tmpTree);
tmpTree = (GlycanTreeNode)argTree.Clone();
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[2]);
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[3]);
_fragment.Add(tmpTree);
tmpTree = (GlycanTreeNode)argTree.Clone();
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[0]);
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[1]);
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[2]);
_fragment.Add(tmpTree);
tmpTree = (GlycanTreeNode)argTree.Clone();
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[0]);
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[1]);
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[3]);
_fragment.Add(tmpTree);
tmpTree = (GlycanTreeNode)argTree.Clone();
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[0]);
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[2]);
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[3]);
_fragment.Add(tmpTree);
tmpTree = (GlycanTreeNode)argTree.Clone();
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[1]);
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[2]);
tmpTree.RemoveGlycan(CurrentTree.GetChildren()[3]);
_fragment.Add(tmpTree);
ChildQueue.Enqueue(CurrentTree.GetChildren()[1]);
ChildQueue.Enqueue(CurrentTree.GetChildren()[2]);
ChildQueue.Enqueue(CurrentTree.GetChildren()[3]);
CurrentTree = CurrentTree.GetChildren()[0];
}
}
else
{
if (ChildQueue.Count != 0)
{
CurrentTree = (GlycanTreeNode)ChildQueue.Dequeue();
}
else
{
break;
}
}
} while (true);
//Filter out duplicate tree
List <GlycanTreeNode> tmpGlycanTree = new List <GlycanTreeNode>();
foreach (GlycanTreeNode t in _fragment)
{
if (!tmpGlycanTree.Contains(t))
{
tmpGlycanTree.Add(t);
}
}
tmpGlycanTree.Sort(delegate(GlycanTreeNode T1, GlycanTreeNode T2)
{
return(GlycanMass.GetGlycanMasswithCharge(new GlycanCompound(T1.NoOfHexNac, T1.NoOfHex, T1.NoOfDeHex, T1.NoOfNeuAc), argTree.Charge).CompareTo(
GlycanMass.GetGlycanMasswithCharge(new GlycanCompound(T2.NoOfHexNac, T2.NoOfHex, T2.NoOfDeHex, T2.NoOfNeuAc), argTree.Charge)));
});
return(tmpGlycanTree);
}
public GlycanStructure(GlycanTreeNode argGlycan)
{
_tree = argGlycan;
_nextID = argGlycan.NoOfTotalGlycan + 1;
_IUPAC = _tree.GetIUPACString();
}
/// <summary>
/// Check if this tree obey N-Linked Core rules: 2 HexNex + 3 Hex, Branching is high man, complex. hybrid
/// </summary>
/// <returns></returns>
public bool isObyeNLinkedCore()
{
//Node 1
GlycanTreeNode CheckNode = _tree;
int NoOfHexNac = 0;
int NoOfHex = 0;
int NoOfDeHex = 0;
if (CheckNode.GlycanType != Glycan.Type.HexNAc) //1st Node Only can be HexNac
{
return(false);
}
if (CheckNode.Subtrees != null) //1st Node can only link to one HexNac and multiple DeHex
{
foreach (GlycanTreeNode SubTree in CheckNode.Subtrees)
{
if (SubTree.GlycanType == Glycan.Type.HexNAc)
{
NoOfHexNac++;
}
else if (SubTree.GlycanType == Glycan.Type.DeHex)
{
NoOfDeHex++;
}
}
if (NoOfHexNac > 1 || (NoOfHexNac + NoOfDeHex != CheckNode.Subtrees.Count))
{
return(false);
}
}
if (CheckNode.Subtrees.Count == NoOfDeHex)
{
return(true);
}
//Node 2
CheckNode = CheckNode.Subtrees[0]; //DeHex will be sort to the end of list
NoOfHexNac = 0;
NoOfHex = 0;
NoOfDeHex = 0;
if (CheckNode.GlycanType != Glycan.Type.HexNAc)//2nd Node Only can be HexNac
{
return(false);
}
if (CheckNode.Subtrees != null) //2nd Node can only link to one Hex and multiple DeHex
{
foreach (GlycanTreeNode SubTree in CheckNode.Subtrees)
{
if (SubTree.GlycanType == Glycan.Type.Hex)
{
NoOfHex++;
}
else if (SubTree.GlycanType == Glycan.Type.DeHex)
{
NoOfDeHex++;
}
}
if (NoOfDeHex == CheckNode.Subtrees.Count)
{
return(true);
}
if (NoOfHex != 1 || (NoOfHex + NoOfDeHex != CheckNode.Subtrees.Count))
{
return(false);
}
}
else
{
return(true);
}
//Node 3
CheckNode = CheckNode.Subtrees[0]; //DeHex will be sort to the end of list
NoOfHexNac = 0;
NoOfHex = 0;
NoOfDeHex = 0;
if (CheckNode.GlycanType != Glycan.Type.Hex)//3rd Node Only can be Hex
{
return(false);
}
if (CheckNode.Subtrees != null) //3rd Node can only link to one HexNac and up to two Hex
{
foreach (GlycanTreeNode SubTree in CheckNode.Subtrees)
{
if (SubTree.GlycanType == Glycan.Type.Hex)
{
NoOfHex++;
}
else if (SubTree.GlycanType == Glycan.Type.HexNAc)
{
NoOfHexNac++;
}
}
if (NoOfHex > 2 || NoOfHexNac > 1)
{
return(false);
}
if (NoOfHexNac + NoOfHex != CheckNode.Subtrees.Count)
{
return(false);
}
if (CheckNode.Subtrees.Count == 1)
{
if (!(NoOfHex == 1 || NoOfHexNac == 1))
{
return(false);
}
if (NoOfHexNac == 1 && CheckNode.Subtrees[0].Subtrees != null) //bisecting no child
{
return(false);
}
foreach (GlycanTreeNode ChildTree in CheckNode.FetchAllGlycanNode())
{
if (ChildTree.Subtrees != null && ChildTree.Subtrees.Count > 1)
{
return(false);
}
}
}
else
{
if (CheckNode.Subtrees.Count != NoOfHex + NoOfHexNac)
{
return(false);
}
}
}
else
{
return(true);
}
////check branch can be either high man, hybrid or complex
foreach (GlycanTreeNode SubTree in CheckNode.Subtrees)
{
if (SubTree.GlycanType == Glycan.Type.Hex)
{
if (SubTree.NoOfTotalGlycan - SubTree.NoOfHex > 0 && SubTree.NoOfHexNac == 0)
{
return(false);
}
}
else if (SubTree.GlycanType == Glycan.Type.HexNAc) //Bisecting
{
if (SubTree.Subtrees != null)
{
return(false);
}
}
else
{
return(false);
}
}
return(true);
}
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();
}
