private void DrawUserTheoryData(Graphics g, float XUnit, int xstart)
{
PeptideMW PMW = new PeptideMW(this.AdditionalSequence);
float[] Bs = PMW.GetPepFragmentBValues();
float[] Ys = PMW.GetPepFragmentYValues();
Pen dataPen = new Pen(Brushes.Blue, 1);
dataPen.DashStyle = DashStyle.Dash;
Pen dataPen2 = new Pen(Brushes.Red, 1);
dataPen2.DashStyle = DashStyle.Dash;
Font Numberfont = new Font("Times New Roman", 10, FontStyle.Regular);
//int charge = int.Parse(ChargeState);
StringFormat sf = new StringFormat();
sf.Alignment = StringAlignment.Center;
sf.LineAlignment = StringAlignment.Center;
int axisline = HEIGHT - NETAREABOTTOMMARGIN - (HEIGHT - NETAREABOTTOMMARGIN - NETAREATOPMARGIN) / 2;
for (int i = 0; i < Bs.Length; i++)
{
if (Bs[i] > xstart)
{
float x = (Bs[i] - xstart) * XUnit + NETAREALEFTMARGIN;
float previousAA = 0.0F;
if (i == 0)
previousAA = NETAREALEFTMARGIN;
else
{
if (Bs[i - 1] > xstart)
previousAA = (Bs[i - 1] - xstart) * XUnit + NETAREALEFTMARGIN;
else
previousAA = NETAREALEFTMARGIN;
}
g.DrawLine(dataPen, x, (float)axisline, x, (float)HEIGHT - NETAREABOTTOMMARGIN);
string neatSequence = ValidePepSeq(this.AdditionalSequence);
float modified = 0.0F;
string AA = "";
if (HadModifed(i+1, AdditionalSequence, ref modified))
AA = string.Format("{0}+{1:F2}", neatSequence.Substring(i, 1), modified);
else
AA = neatSequence.Substring(i, 1);
g.DrawString(AA, Numberfont, Brushes.Blue, new RectangleF(previousAA, HEIGHT - NETAREABOTTOMMARGIN - 25, x - previousAA, 25), sf);
}
}
for (int i = 0; i < Ys.Length; i++)
{
if (Ys[i] > xstart)
{
float x = (Ys[i] - xstart) * XUnit + NETAREALEFTMARGIN;
float previousAA = 0.0F;
if (i == 0)
previousAA = NETAREALEFTMARGIN;
else
{
if (Ys[i - 1] > xstart)
previousAA = (Ys[i - 1] - xstart) * XUnit + NETAREALEFTMARGIN;
else
previousAA = NETAREALEFTMARGIN;
}
g.DrawLine(dataPen2, x, (float)axisline , x, (float)HEIGHT-NETAREABOTTOMMARGIN -25);
string neatSequence = ValidePepSeq(AdditionalSequence);
int iSite = neatSequence.Length -1- i;
float modified = 0.0F;
string AA = "";
if (HadModifed(iSite+1, AdditionalSequence, ref modified))
AA = string.Format("{0}+{1:F2}", neatSequence.Substring(iSite, 1), modified);
else
AA = neatSequence.Substring(iSite, 1);
g.DrawString(AA, Numberfont, Brushes.Red, new RectangleF(previousAA, HEIGHT - NETAREABOTTOMMARGIN - 50, x - previousAA, 25), sf);
}
//if (Ys[i] / 2 > xstart)
//{
// float x = (Ys[i] / 2 - xstart) * XUnit + NETAREALEFTMARGIN;
// g.DrawLine(dataPen, x, (float)NETAREATOPMARGIN, x, (float)HEIGHT - NETAREABOTTOMMARGIN);
// g.DrawString(string.Format("Y{0:D}:2+", i + 1), Numberfont, Brushes.Red, new PointF(x, NETAREATOPMARGIN + 12));
//}
}
}
private void DrawData(Graphics g, float Xunit, float Yunit, int xstart)
{
PeptideMW PMW = new PeptideMW(PeptideSequence);
float[] Bs = PMW.GetPepFragmentBValues();
float[] Ys = PMW.GetPepFragmentYValues();
int charge1 = int.Parse (ChargeState);//(int) (PMW.GetMW2() / PrecursorMZ) +1;
bool bPhos1 = PMW.IsPhosphorylation();
PeptideMW PMW2 = new PeptideMW(AdditionalSequence);
float[] Bs2 = PMW2.GetPepFragmentBValues();
float[] Ys2 = PMW2.GetPepFragmentYValues();
float Precursor2 = PMW2.getPrecurMz2(charge1);
bool bPhos2 = PMW2.IsPhosphorylation();
Pen dataPen = new Pen(Brushes.Black, 1);
Pen BLinePen = new Pen(Brushes.Blue, 1);
Pen YLinePen = new Pen(Brushes.Red, 1);
Pen ALinePen = new Pen(Brushes.Green, 1);
Pen MLinePen = new Pen(Brushes.Gray , 1);
int LabelTolerance = 20;
if (bShowNoise)
{
BLinePen = new Pen(NoiseModeColor , 1);
YLinePen = new Pen(NoiseModeColor, 1);
ALinePen = new Pen(NoiseModeColor , 1);
MLinePen = new Pen(NoiseModeColor , 1);
LabelTolerance = 1;
}
//draw the library spectrum
int Count = SpectrumData.Count;
for (int i = 0; i < Count; i++)
{
float mz = ((MZintensitiy)SpectrumData[i]).mz;
float intensity = ((MZintensitiy)SpectrumData[i]).intensity;
float x = (mz - xstart) * Xunit + NETAREALEFTMARGIN;
float y;
if (bZoomOut)
{
if (intensity * 100 / MaxIntensitiy > DisplayMaxY)
{
y = NETAREATOPMARGIN;
}
else
{
y = XLinePos - intensity * 100 * Yunit / MaxIntensitiy;
}
}
else
y = XLinePos - intensity * 100 * Yunit / MaxIntensitiy;
Font Numberfont = new Font("Arial", 9, FontStyle.Regular);
if (y < XLinePos - LabelTolerance )
{
string strAnn = GetAnnotation(SpectrumData,i, Bs, Ys,bShowNoise,PrecursorMZ,charge1,bPhos1 );
if (strAnn.StartsWith("(b"))
{
if (bShowLabel)
{
g.DrawLine(BLinePen, x, y, x, (float)XLinePos);
g.DrawString(strAnn, Numberfont, Brushes.Blue, new PointF(x, y));
}
else
{
if (bShowNoise )
g.DrawLine(BLinePen, x, y, x, (float)XLinePos);
else
g.DrawLine(dataPen, x, y, x, (float)XLinePos);
}
}
else if (strAnn.StartsWith("(y"))
{
if (bShowLabel)
{
g.DrawLine(YLinePen, x, y, x, (float)XLinePos);
g.DrawString(strAnn, Numberfont, Brushes.Red, new PointF(x, y));
}
else
{
if (bShowNoise )
g.DrawLine(YLinePen, x, y, x, (float)XLinePos);
else
g.DrawLine(dataPen, x, y, x, (float)XLinePos);
}
}
else if (strAnn.StartsWith("(a"))
{
if (bShowLabel)
{
g.DrawLine(ALinePen, x, y, x, (float)XLinePos);
g.DrawString(strAnn, Numberfont, Brushes.Green, new PointF(x, y));
}
else
{
if (bShowNoise )
g.DrawLine(ALinePen, x, y, x, (float)XLinePos);
else
g.DrawLine(dataPen, x, y, x, (float)XLinePos);
}
}
else if (strAnn.StartsWith("(M") && y < XLinePos - 100)
{
if (bShowLabel)
{
g.DrawLine(MLinePen, x, y, x, (float)XLinePos);
g.DrawString(strAnn, Numberfont, Brushes.Gray, new PointF(x, y));
}
else
{
if (bShowNoise )
g.DrawLine(MLinePen, x, y, x, (float)XLinePos);
else
g.DrawLine(dataPen, x, y, x, (float)XLinePos);
}
}
else
{
g.DrawLine(dataPen, x, y, x, (float)XLinePos );
}
//g.DrawString(strAnn, Numberfont, Brushes.Red, new PointF(x, y));
}
else
g.DrawLine(dataPen, x, y, x, (float)XLinePos );
}
//draw the guest spectrum
Count = GuestSpectrumData.Count;
for (int i = 0; i < Count; i++)
{
float mz = ((MZintensitiy)GuestSpectrumData[i]).mz;
float intensity = ((MZintensitiy)GuestSpectrumData[i]).intensity;
float x = (mz - xstart) * Xunit + NETAREALEFTMARGIN;
float y;
if (bZoomOut)
{
if (intensity * 100 / GuestMaxIntensitiy > DisplayMaxY)
{
y = HEIGHT - NETAREABOTTOMMARGIN ;
}
else
{
y = XLinePos + intensity * 100 * Yunit / GuestMaxIntensitiy;
}
}
else
y = XLinePos + intensity * 100 * Yunit / GuestMaxIntensitiy;
Font Numberfont = new Font("Arial", 9, FontStyle.Regular);
if (y > XLinePos + LabelTolerance)
{
string strAnn = GetAnnotation(GuestSpectrumData,i, Bs2, Ys2,bShowNoise,Precursor2,charge1 ,bPhos2);
if (strAnn.StartsWith("(b"))
{
if (bShowLabel)
{
g.DrawLine(BLinePen, x, y, x, (float)XLinePos);
g.DrawString(strAnn, Numberfont, Brushes.Blue, new PointF(x, y - 10));
}
else
{
if (bShowNoise )
g.DrawLine(BLinePen, x, y, x, (float)XLinePos);
else
g.DrawLine(dataPen, x, y, x, (float)XLinePos);
}
}
else if (strAnn.StartsWith("(y"))
{
if (bShowLabel)
{
g.DrawLine(YLinePen, x, y, x, (float)XLinePos);
g.DrawString(strAnn, Numberfont, Brushes.Red, new PointF(x, y - 10));
}
else
{
if (bShowNoise )
g.DrawLine(YLinePen, x, y, x, (float)XLinePos);
else
g.DrawLine(dataPen, x, y, x, (float)XLinePos);
}
}
else if (strAnn.StartsWith("(a"))
{
if (bShowLabel)
{
g.DrawLine(ALinePen, x, y, x, (float)XLinePos);
g.DrawString(strAnn, Numberfont, Brushes.Green, new PointF(x, y - 10));
}
else
{
if (bShowNoise )
g.DrawLine(ALinePen, x, y, x, (float)XLinePos);
else
g.DrawLine(dataPen, x, y, x, (float)XLinePos);
}
}
else if (strAnn.StartsWith("(M") && y > XLinePos + 100)
{
if (bShowLabel)
{
g.DrawLine(MLinePen, x, y, x, (float)XLinePos);
g.DrawString(strAnn, Numberfont, Brushes.Gray, new PointF(x, y - 10));
}
else
{
if (bShowNoise )
g.DrawLine(MLinePen, x, y, x, (float)XLinePos);
else
g.DrawLine(dataPen, x, y, x, (float)XLinePos);
}
}
else
{
g.DrawLine(dataPen, x, y, x, (float)XLinePos);
}
//g.DrawString(strAnn, Numberfont, Brushes.Red, new PointF(x, y));
}
else
g.DrawLine(dataPen, x, y, x, (float)XLinePos);
}
}
// REAL MAGIC HERE! y- B-
private void DrawData(Graphics g, float Xunit, float Yunit,int xstart )
{
PeptideMW PMW = new PeptideMW(PeptideSequence);
float[] Bs = PMW.GetPepFragmentBValues();
float[] Ys = PMW.GetPepFragmentYValues();
bool bPhos = PMW.IsPhosphorylation();
int Count = SpectrumData.Count;
int i = 0;
for (i = 0; i < Count; i++)
{
float mz = ((MZintensitiy )SpectrumData[i]).mz ;
float intensity = ((MZintensitiy )SpectrumData[i]).intensity ;
float x = (mz - xstart)*Xunit + NETAREALEFTMARGIN ;
float y;
if (bZoomOut)
{
if (intensity * 100 / MaxIntensitiy > DisplayMaxY)
{
y = NETAREATOPMARGIN ;
}
else
{
y = HEIGHT - NETAREABOTTOMMARGIN - intensity * 100 * Yunit / MaxIntensitiy;
}
}
else
y = HEIGHT - NETAREABOTTOMMARGIN - intensity * 100 * Yunit / MaxIntensitiy;
Pen dataPen = new Pen (Brushes.Black ,1);
Pen BLinePen = new Pen(Brushes.Blue, 2);
Pen YLinePen = new Pen(Brushes.Red, 2);
Pen ALinePen = new Pen (Brushes.Green ,2);
Pen MLinePen = new Pen(Brushes.Gray , 2);
Font Numberfont = new Font("Arial", 9, FontStyle.Regular);
if (y < HEIGHT - NETAREABOTTOMMARGIN -20 && bShowLabel )
{
string strAnn = GetAnnotation(SpectrumData,i, Bs, Ys,PrecursorMZ,int.Parse (ChargeState ),bPhos );
if (strAnn.StartsWith("(b"))
{
g.DrawLine(BLinePen, x, y, x, (float)HEIGHT - NETAREABOTTOMMARGIN);
g.DrawString(strAnn, Numberfont, Brushes.Blue , new PointF(x, y));
}
else if (strAnn.StartsWith("(y"))
{
g.DrawLine(YLinePen, x, y, x, (float)HEIGHT - NETAREABOTTOMMARGIN);
g.DrawString(strAnn, Numberfont, Brushes.Red, new PointF(x, y));
}
else if (strAnn.StartsWith("(a"))
{
g.DrawLine(ALinePen, x, y, x, (float)HEIGHT - NETAREABOTTOMMARGIN);
g.DrawString(strAnn, Numberfont, Brushes.Green, new PointF(x, y));
}
else if (strAnn.StartsWith("(M") && y < HEIGHT - NETAREABOTTOMMARGIN -100)
{
g.DrawLine(MLinePen, x, y, x, (float)HEIGHT - NETAREABOTTOMMARGIN);
g.DrawString(strAnn, Numberfont, Brushes.Gray , new PointF(x, y));
}
else
{
g.DrawLine(dataPen, x, y, x, (float)HEIGHT - NETAREABOTTOMMARGIN);
}
//g.DrawString(strAnn, Numberfont, Brushes.Red, new PointF(x, y));
}
else
g.DrawLine(dataPen, x, y, x, (float)HEIGHT - NETAREABOTTOMMARGIN);
if (intensity == MaxIntensitiy)
{
//peak value point
GraphicsPath p = new GraphicsPath();
p.AddLine(x, (float)HEIGHT - NETAREABOTTOMMARGIN, x + XAxisScaleLength, (float)HEIGHT - NETAREABOTTOMMARGIN + XAxisScaleLength);
p.AddLine(x + XAxisScaleLength, (float)HEIGHT - NETAREABOTTOMMARGIN + XAxisScaleLength, x - XAxisScaleLength, (float)HEIGHT - NETAREABOTTOMMARGIN + XAxisScaleLength);
p.CloseFigure();
g.FillPath(Brushes.Red, p);
g.DrawString(mz.ToString(), Numberfont, Brushes.Red, x + XAxisScaleLength, (float)HEIGHT - NETAREABOTTOMMARGIN);
}
}
}
private void ShowTheoryValues(string PepSeq)
{
//PepSeq = ValidePepSeq(PepSeq);
if (dtaSpectra != "")
{
string[] lines = dtaSpectra.Split(new string[] { "\r\n" }, StringSplitOptions.RemoveEmptyEntries);
foreach (string line in lines)
{
if (char.IsDigit(line, 0))
{
string[] tokens = line.Split(new string[] { " ", "\t" }, StringSplitOptions.RemoveEmptyEntries);
string mz = tokens[0];
string intensity = tokens[1];// line.Substring(sperator);
SpectrumData s = new SpectrumData(float.Parse(tokens[0]), float.Parse(tokens[1]));
sd.Add(s);
mzint mzi = new mzint();
mzi.mz = float.Parse(mz);
mzi.intensity = float.Parse(intensity);
mzi.bMatched = false;
MZS.Add(mzi);
}
}
bFileReaded = true;
}
string modifiedSeq = PepSeq;
PeptideMW PMW = new PeptideMW(PepSeq);
float[] Bs = PMW.GetPepFragmentBValues();
float[] Ys = PMW.GetPepFragmentYValues();
PepSeq = ValidePepSeq(PepSeq);
int Length = PepSeq.Length;
for (int i = 0; i <= Length - 1; i++)
{
TableRow trValues = new TableRow();
TableCell tcAA = new TableCell();
TableCell tcYA = new TableCell();
float ModifiedWeight = 0.0F;
if (HadModifed(i + 1, modifiedSeq, ref ModifiedWeight))
tcAA.Text = string.Format("{0}<sub>{1}</sub>+{2:F2}", PepSeq.Substring(i, 1), i + 1, ModifiedWeight);
else
tcAA.Text = string.Format("{0}<sub>{1}</sub>", PepSeq.Substring(i, 1), i + 1);
tcAA.HorizontalAlign = HorizontalAlign.Left;
trValues.Cells.Add(tcAA);
/* B format */
float B1;
if (i > (Length - 2))
B1 = Bs[0];
else
B1 = Bs[i];
if (i < Length - 1)
{
TableCell tcB1 = new TableCell();
tcB1.Text = string.Format("{0:F2}", B1);
if (IsMatch(B1, MZS))
tcB1.ForeColor = B1Color;
console.Text += "";
tcB1.HorizontalAlign = HorizontalAlign.Right;
trValues.Cells.Add(tcB1);
TableCell tcB2 = new TableCell();
tcB2.Text = string.Format("{0:F2}", (B1 - OH));
if (IsMatch(B1 - OH, MZS))
tcB2.ForeColor = B2Color;
tcB2.HorizontalAlign = HorizontalAlign.Right;
trValues.Cells.Add(tcB2);
TableCell tcB3 = new TableCell();
tcB3.Text = string.Format("{0:F2}", (B1 - H2O));
if (IsMatch(B1 - H2O, MZS))
tcB3.ForeColor = B3Color;
tcB3.HorizontalAlign = HorizontalAlign.Right;
trValues.Cells.Add(tcB3);
float B2 = (B1 + 1) / 2;
TableCell tc2B = new TableCell();
tc2B.Text = string.Format("{0:F2}", B2);
if (IsMatch(B2, MZS))
tc2B.ForeColor = B1Color;
tc2B.HorizontalAlign = HorizontalAlign.Right;
trValues.Cells.Add(tc2B);
trValues.Height = new Unit("20px");
}
else
{
TableCell tcB1 = new TableCell();
tcB1.Text = "";
trValues.Cells.Add(tcB1);
TableCell tcB2 = new TableCell();
tcB2.Text = "";
trValues.Cells.Add(tcB2);
TableCell tcB3 = new TableCell();
tcB3.Text = "";
trValues.Cells.Add(tcB3);
TableCell tc2B = new TableCell();
tc2B.Text = "";
trValues.Cells.Add(tc2B);
trValues.Height = new Unit("20px");
}
/* Y format */
float Y1;
if (i > (Length - 2) || i == 0)
Y1 = Ys[0];
else
Y1 = Ys[Length - 1 - i];
if (i != 0)
{
float Y2 = (Y1 + 1) / 2;
TableCell tc2Y = new TableCell();
tc2Y.Text = string.Format("{0:F2}", Y2);
if (IsMatch(Y2, MZS))
tc2Y.ForeColor = Y1Color;
tc2Y.HorizontalAlign = HorizontalAlign.Right;
trValues.Cells.Add(tc2Y);
TableCell tcY3 = new TableCell();
tcY3.Text = string.Format("{0:F2}", (Y1 - H2O));
if (IsMatch(Y1 - H2O, MZS))
tcY3.ForeColor = Y3Color;
tcY3.HorizontalAlign = HorizontalAlign.Right;
trValues.Cells.Add(tcY3);
TableCell tcY2 = new TableCell();
tcY2.Text = string.Format("{0:F2}", (Y1 - OH));
if (IsMatch(Y1 - OH, MZS))
tcY2.ForeColor = Y2Color;
tcY2.HorizontalAlign = HorizontalAlign.Right;
trValues.Cells.Add(tcY2);
TableCell tcY1 = new TableCell();
tcY1.Text = string.Format("{0:F2}", Y1);
if (IsMatch(Y1, MZS))
tcY1.ForeColor = Y1Color;
tcY1.HorizontalAlign = HorizontalAlign.Right;
trValues.Cells.Add(tcY1);
}
else
{
TableCell tcY1 = new TableCell();
tcY1.Text = "";
trValues.Cells.Add(tcY1);
TableCell tcY2 = new TableCell();
tcY2.Text = "";
trValues.Cells.Add(tcY2);
TableCell tcY3 = new TableCell();
tcY3.Text = "";
trValues.Cells.Add(tcY3);
TableCell tc2Y = new TableCell();
tc2Y.Text = "";
trValues.Cells.Add(tc2Y);
}
if (HadModifed(i + 1, modifiedSeq, ref ModifiedWeight))
tcYA.Text = string.Format("<div class=\"offset9 span3\"><span class=\"pull-left\">{0}<sub>{1}</sub>+{2:F2}</span></div>", PepSeq.Substring(i, 1), Length - i, ModifiedWeight);
else
tcYA.Text = string.Format("<div class=\"offset9 span3\"><span class=\"pull-left\">{0}<sub>{1}</sub></span></div>", PepSeq.Substring(i, 1), Length - i);
tcYA.HorizontalAlign = HorizontalAlign.Right;
trValues.Cells.Add(tcYA);
tbTheoryValues.Rows.Add(trValues);
}
}
// REAL MAGIC HERE! y- B-
private void DrawData(String pepseq)
{
PeptideMW PMW = new PeptideMW(pepseq);
float[] Bs = PMW.GetPepFragmentBValues();
float[] Ys = PMW.GetPepFragmentYValues();
bool bPhos = PMW.IsPhosphorylation();
int Count = sd.Count;
int i = 0;
for (i = 0; i < Count; i++)
{
float mz = ((SpectrumData)sd[i]).mz;
float intensity = ((SpectrumData)sd[i]).intensity;
/*
Pen dataPen = new Pen(Brushes.Black, 1);
Pen BLinePen = new Pen(Brushes.Blue, 2);
Pen YLinePen = new Pen(Brushes.Red, 2);
Pen ALinePen = new Pen(Brushes.Green, 2);
Pen MLinePen = new Pen(Brushes.Gray, 2);
Font Numberfont = new Font("Arial", 9, FontStyle.Regular);*/
string strAnn = GetAnnotation(sd, i, Bs, Ys, float.Parse(PrecursorMZ), int.Parse(ChargeState), bPhos);
if (strAnn.StartsWith("(b"))
{
sd[i].setColor("#0000ff");
sd[i].setTip(labelChargeCount(stripParenth(strAnn)));
//g.DrawLine(BLinePen, x, y, x, (float)HEIGHT - NETAREABOTTOMMARGIN);
//g.DrawString(strAnn, Numberfont, Brushes.Blue, new PointF(x, y));
}
else if (strAnn.StartsWith("(y"))
{
sd[i].setColor("#ff0000");
sd[i].setTip(labelChargeCount(stripParenth(strAnn)));
//g.DrawLine(YLinePen, x, y, x, (float)HEIGHT - NETAREABOTTOMMARGIN);
//g.DrawString(strAnn, Numberfont, Brushes.Red, new PointF(x, y));
}
else if (strAnn.StartsWith("(a"))
{
sd[i].setColor("#00ff00");
sd[i].setTip(labelChargeCount(stripParenth(strAnn)));
//g.DrawLine(ALinePen, x, y, x, (float)HEIGHT - NETAREABOTTOMMARGIN);
//g.DrawString(strAnn, Numberfont, Brushes.Green, new PointF(x, y));
}
else if (strAnn.StartsWith("(M"))
{
sd[i].setColor("#cccccc");
sd[i].setTip(labelChargeCount(stripParenth(strAnn)));
//g.DrawLine(MLinePen, x, y, x, (float)HEIGHT - NETAREABOTTOMMARGIN);
//g.DrawString(strAnn, Numberfont, Brushes.Gray, new PointF(x, y));
}
else
{
sd[i].setColor("#000000");
//g.DrawLine(dataPen, x, y, x, (float)HEIGHT - NETAREABOTTOMMARGIN);
}
//g.DrawString(strAnn, Numberfont, Brushes.Red, new PointF(x, y));
/*
if (intensity == MaxIntensitiy)
{
//peak value point
GraphicsPath p = new GraphicsPath();
p.AddLine(x, (float)HEIGHT - NETAREABOTTOMMARGIN, x + XAxisScaleLength, (float)HEIGHT - NETAREABOTTOMMARGIN + XAxisScaleLength);
p.AddLine(x + XAxisScaleLength, (float)HEIGHT - NETAREABOTTOMMARGIN + XAxisScaleLength, x - XAxisScaleLength, (float)HEIGHT - NETAREABOTTOMMARGIN + XAxisScaleLength);
p.CloseFigure();
g.FillPath(Brushes.Red, p);
g.DrawString(mz.ToString(), Numberfont, Brushes.Red, x + XAxisScaleLength, (float)HEIGHT - NETAREABOTTOMMARGIN);
}*/
}
}
private void ShowTheoryValues(string PepSeq)
{
//PepSeq = ValidePepSeq(PepSeq);
if (!bFileReaded)
{
if (SearchType == "DTA")
{
if (GuestSpectrums == "")
GuestSpectrums = (string)(Session[SessionID]);
dtaconent = GuestSpectrums;
string[] lines = GuestSpectrums.Split(new string[] { "\r\n" }, StringSplitOptions.RemoveEmptyEntries);
foreach (string line in lines)
{
if (char.IsDigit(line, 0))
{
int sperator = line.IndexOf(" ");
string mz = line.Substring(0, sperator);
string intensity = line.Substring(sperator);
mzint mzi = new mzint();
mzi.mz = float.Parse(mz);
mzi.intensity = float.Parse(intensity);
mzi.bMatched = false;
MZS.Add(mzi);
}
}
}
else
{
string TaskID = Request.QueryString["TaskID"];
string dtaFilePath = WebConfigurationManager.ConnectionStrings["UploadPath"].ConnectionString + TaskID + string.Format ("\\{0}_dta\\",MSFile ) + SessionID + ".dta";
FileInfo fiDta = new FileInfo(dtaFilePath);
if (!fiDta.Exists)
{
Response.Redirect("ErrorPage.aspx?Err=1");
return;
}
dtaconent = "";
// get from the generated dta file
FileStream gfs = File.Open(dtaFilePath, FileMode.Open, FileAccess.Read, FileShare.ReadWrite );
StreamReader gsr = new StreamReader(gfs);
string line;
while ((line = gsr.ReadLine()) != null)
{
if (char.IsDigit(line, 0))
{
int sperator = line.IndexOf(" ");
string mz = line.Substring(0, sperator);
string intensity = line.Substring(sperator);
mzint mzi = new mzint();
mzi.mz = float.Parse(mz);
mzi.intensity = float.Parse(intensity);
mzi.bMatched = false;
MZS.Add(mzi);
}
dtaconent += line +"\r\n";
}
gsr.Close();
}
bFileReaded = true;
}
string modifiedSeq = PepSeq;
PeptideMW PMW = new PeptideMW(PepSeq);
float[] Bs = PMW.GetPepFragmentBValues();
float[] Ys = PMW.GetPepFragmentYValues();
PepSeq = ValidePepSeq(PepSeq);
int Length = PepSeq.Length;
// started here! 123,456,,789
for (int i = 0; i <= Length - 1; i++)
{
TableRow trValues = new TableRow();
TableCell tcAA = new TableCell();
TableCell tcYA = new TableCell();
float ModifiedWeight = 0.0F;
if (HadModifed(i + 1, modifiedSeq, ref ModifiedWeight))
tcAA.Text = string.Format("{0}<sub>{1}</sub>+{2:F2}", PepSeq.Substring(i, 1), i + 1, ModifiedWeight);
else
tcAA.Text = string.Format("{0}<sub>{1}</sub>", PepSeq.Substring(i, 1), i + 1);
tcAA.HorizontalAlign = HorizontalAlign.Left;
trValues.Cells.Add(tcAA);
/* B format */
float B1;
if (i > (Length - 2))
B1 = Bs[0];
else
B1 = Bs[i];
if (i < Length - 1)
{
TableCell tcB1 = new TableCell();
tcB1.Text = string.Format("{0:F2}", B1);
if (IsMatch(B1, MZS))
tcB1.ForeColor = B1Color;
tcB1.HorizontalAlign = HorizontalAlign.Right;
trValues.Cells.Add(tcB1);
TableCell tcB2 = new TableCell();
tcB2.Text = string.Format("{0:F2}", (B1 - OH));
if (IsMatch(B1 - OH, MZS))
tcB2.ForeColor = B2Color;
tcB2.HorizontalAlign = HorizontalAlign.Right;
trValues.Cells.Add(tcB2);
TableCell tcB3 = new TableCell();
tcB3.Text = string.Format("{0:F2}", (B1 - H2O));
if (IsMatch(B1 - H2O, MZS))
tcB3.ForeColor = B3Color;
tcB3.HorizontalAlign = HorizontalAlign.Right;
trValues.Cells.Add(tcB3);
float B2 = (B1 + 1) / 2;
TableCell tc2B = new TableCell();
tc2B.Text = string.Format("{0:F2}", B2);
if (IsMatch(B2, MZS))
tc2B.ForeColor = B1Color;
tc2B.HorizontalAlign = HorizontalAlign.Right;
trValues.Cells.Add(tc2B);
trValues.Height = new Unit("20px");
}
else
{
TableCell tcB1 = new TableCell();
tcB1.Text = "";
trValues.Cells.Add(tcB1);
TableCell tcB2 = new TableCell();
tcB2.Text = "";
trValues.Cells.Add(tcB2);
TableCell tcB3 = new TableCell();
tcB3.Text = "";
trValues.Cells.Add(tcB3);
TableCell tc2B = new TableCell();
tc2B.Text = "";
trValues.Cells.Add(tc2B);
trValues.Height = new Unit("20px");
}
/* Y format */
float Y1;
if (i > (Length - 2) || i == 0)
Y1 = Ys[0];
else
Y1 = Ys[Length - 1 - i];
if (i != 0)
{
float Y2 = (Y1 + 1) / 2;
TableCell tc2Y = new TableCell();
tc2Y.Text = string.Format("{0:F2}", Y2);
if (IsMatch(Y2, MZS))
tc2Y.ForeColor = Y1Color;
tc2Y.HorizontalAlign = HorizontalAlign.Right;
trValues.Cells.Add(tc2Y);
TableCell tcY3 = new TableCell();
tcY3.Text = string.Format("{0:F2}", (Y1 - H2O));
if (IsMatch(Y1 - H2O, MZS))
tcY3.ForeColor = Y3Color;
tcY3.HorizontalAlign = HorizontalAlign.Right;
trValues.Cells.Add(tcY3);
TableCell tcY2 = new TableCell();
tcY2.Text = string.Format("{0:F2}", (Y1 - OH));
if (IsMatch(Y1 - OH, MZS))
tcY2.ForeColor = Y2Color;
tcY2.HorizontalAlign = HorizontalAlign.Right;
trValues.Cells.Add(tcY2);
TableCell tcY1 = new TableCell();
tcY1.Text = string.Format("{0:F2}", Y1);
if (IsMatch(Y1, MZS))
tcY1.ForeColor = Y1Color;
tcY1.HorizontalAlign = HorizontalAlign.Right;
trValues.Cells.Add(tcY1);
}
else
{
TableCell tcY1 = new TableCell();
tcY1.Text = "";
trValues.Cells.Add(tcY1);
TableCell tcY2 = new TableCell();
tcY2.Text = "";
trValues.Cells.Add(tcY2);
TableCell tcY3 = new TableCell();
tcY3.Text = "";
trValues.Cells.Add(tcY3);
TableCell tc2Y = new TableCell();
tc2Y.Text = "";
trValues.Cells.Add(tc2Y);
}
if (HadModifed(i + 1, modifiedSeq, ref ModifiedWeight))
tcYA.Text = string.Format("<div class=\"offset9 span3\"><span class=\"pull-left\">{0}<sub>{1}</sub>+{2:F2}</span></div>", PepSeq.Substring(i, 1), Length - i, ModifiedWeight);
else
tcYA.Text = string.Format("<div class=\"offset9 span3\"><span class=\"pull-left\">{0}<sub>{1}</sub></span></div>", PepSeq.Substring(i, 1), Length - i);
tcYA.HorizontalAlign = HorizontalAlign.Right;
trValues.Cells.Add(tcYA);
tbTheoryValues.Rows.Add(trValues);
}
}
