private bool IsMatch(float value, ArrayList values)
{
foreach (object v in values)
{
if (Math.Abs(((mzint)v).mz - value) < MaxDiff)
{
mzint newv = new mzint();
newv.mz = ((mzint)v).mz;
newv.intensity = ((mzint)v).intensity;
newv.bMatched = true;
values[values.IndexOf(v)] = newv;
return(true);
}
}
return(false);
}
private bool IsMatch(float value, ArrayList values)
{
bool result = false;
for (int i = 0; i < values.Count; i++)
{
if (Math.Abs(((mzint)values[i]).mz - value) < MaxDiff)
{
mzint newv = new mzint();
newv.mz = ((mzint)values[i]).mz;
newv.intensity = ((mzint)values[i]).intensity;
newv.bMatched = true;
values[i] = newv;
result = true;
}
}
return(result);
}
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);
}
}
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);
}
}
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);
}
}
private bool IsMatch(float value, ArrayList values)
{
foreach (object v in values)
{
if (Math.Abs(((mzint)v).mz - value) < MaxDiff)
{
mzint newv = new mzint();
newv.mz = ((mzint)v).mz;
newv.intensity = ((mzint)v).intensity;
newv.bMatched = true;
values[values.IndexOf(v)] = newv;
return true;
}
}
return false;
}
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);
}
}
private bool IsMatch(float value, ArrayList values)
{
bool result = false;
for (int i=0;i<values.Count ;i++)
{
if (Math.Abs(((mzint)values[i]).mz - value) < MaxDiff)
{
mzint newv = new mzint();
newv.mz = ((mzint)values[i]).mz;
newv.intensity = ((mzint)values[i]).intensity;
newv.bMatched = true;
values[i] = newv;
result = true;
}
}
return result;
}