private void listView_ItemSelectionChanged(object sender, ListViewItemSelectionChangedEventArgs e)
{
string sourcePath = null;
string sourceType = null;
int runIndex = 0;
if (listView.SelectedItems.Count > 0)
{
List <string> dataSourceList = new List <string>();
foreach (ListViewItem item in listView.SelectedItems)
{
var sourceInfo = item.Tag as SourceInfo;
if (sourceInfo != null)
{
dataSourceList.Add(sourceInfo.path.ToString());
sourcePath = sourceInfo.path.Filepath;
sourceType = sourceInfo.type;
runIndex = sourceInfo.path.RunIndex;
}
else
{
dataSourceList.Add(item.SubItems[0].Text);
sourcePath = Path.Combine(CurrentDirectory, sourcePathTextBox.Text);
sourceType = getSourceType(sourcePath);
}
}
sourcePathTextBox.Text = $"\"{String.Join("\" \"", dataSourceList.ToArray())}\"";
}
ticGraphControl.GraphPane.GraphObjList.Clear();
ticGraphControl.GraphPane.CurveList.Clear();
if (listView.SelectedItems.Count != 1)
{
ticGraphControl.Visible = false;
return;
}
if (!String.IsNullOrEmpty(sourceType) &&
sourceType != "File Folder")
{
using (MSData msd = new MSData())
{
ReaderList.FullReaderList.read(sourcePath, msd, runIndex, SpectrumSource.GetReaderConfig());
using (ChromatogramList cl = msd.run.chromatogramList)
{
if (cl != null && !cl.empty() && cl.find("TIC") != cl.size())
{
ticGraphControl.Visible = true;
pwiz.CLI.msdata.Chromatogram tic = cl.chromatogram(cl.find("TIC"), true);
Map <double, double> sortedFullPointList = new Map <double, double>();
IList <double> timeList = tic.binaryDataArrays[0].data;
IList <double> intensityList = tic.binaryDataArrays[1].data;
int arrayLength = timeList.Count;
for (int i = 0; i < arrayLength; ++i)
{
sortedFullPointList[timeList[i]] = intensityList[i];
}
ZedGraph.PointPairList points = new ZedGraph.PointPairList(
new List <double>(sortedFullPointList.Keys).ToArray(),
new List <double>(sortedFullPointList.Values).ToArray());
ZedGraph.LineItem item = ticGraphControl.GraphPane.AddCurve("TIC", points, Color.Black, ZedGraph.SymbolType.None);
item.Line.IsAntiAlias = true;
ticGraphControl.AxisChange();
ticGraphControl.Refresh();
}
else
{
ticGraphControl.Visible = false;
}
}
}
}
else
{
ticGraphControl.Visible = false;
}
}
private void listView_ItemSelectionChanged(object sender, ListViewItemSelectionChangedEventArgs e)
{
if (listView.SelectedItems.Count > 1)
{
List <string> dataSourceList = new List <string>();
foreach (ListViewItem item in listView.SelectedItems)
{
if (item.SubItems[1].Text != "File Folder")
{
dataSourceList.Add(String.Format("\"{0}\"", item.SubItems[0].Text));
}
}
sourcePathTextBox.Text = String.Join(" ", dataSourceList.ToArray());
ticGraphControl.GraphPane.GraphObjList.Clear();
ticGraphControl.GraphPane.CurveList.Clear();
ticGraphControl.Visible = false;
}
else if (listView.SelectedItems.Count > 0)
{
sourcePathTextBox.Text = listView.SelectedItems[0].SubItems[0].Text;
ticGraphControl.GraphPane.GraphObjList.Clear();
ticGraphControl.GraphPane.CurveList.Clear();
string sourcePath = Path.Combine(CurrentDirectory, sourcePathTextBox.Text);
string sourceType = getSourceType(sourcePath);
if (!String.IsNullOrEmpty(sourceType) &&
sourceType != "File Folder")
{
using (MSDataFile msData = new MSDataFile(sourcePath))
using (ChromatogramList cl = msData.run.chromatogramList)
{
if (cl != null && !cl.empty() && cl.find("TIC") != cl.size())
{
ticGraphControl.Visible = true;
pwiz.CLI.msdata.Chromatogram tic = cl.chromatogram(cl.find("TIC"), true);
Map <double, double> sortedFullPointList = new Map <double, double>();
IList <double> timeList = tic.binaryDataArrays[0].data;
IList <double> intensityList = tic.binaryDataArrays[1].data;
int arrayLength = timeList.Count;
for (int i = 0; i < arrayLength; ++i)
{
sortedFullPointList[timeList[i]] = intensityList[i];
}
ZedGraph.PointPairList points = new ZedGraph.PointPairList(
new List <double>(sortedFullPointList.Keys).ToArray(),
new List <double>(sortedFullPointList.Values).ToArray());
ZedGraph.LineItem item = ticGraphControl.GraphPane.AddCurve("TIC", points, Color.Black, ZedGraph.SymbolType.None);
item.Line.IsAntiAlias = true;
ticGraphControl.AxisChange();
ticGraphControl.Refresh();
}
else
{
ticGraphControl.Visible = false;
}
}
}
else
{
ticGraphControl.Visible = false;
}
}
else
{
sourcePathTextBox.Text = "";
}
}
private void UpdateGraph()
{
if (_inUpdateGraph)
{
return;
}
try
{
_inUpdateGraph = true;
_msGraphControl.GraphPane.GraphObjList.Clear();
_msGraphControl.GraphPane.CurveList.Clear();
dataGridView1.Rows.Clear();
int charge;
try
{
charge = Convert.ToInt32(tbxCharge.Text);
tbxCharge.BackColor = Color.White;
}
catch
{
charge = 0;
tbxCharge.BackColor = Color.Red;
}
double massResolution;
try
{
massResolution = double.Parse(tbxMassResolution.Text);
tbxMassResolution.BackColor = Color.White;
}
catch
{
tbxMassResolution.BackColor = Color.Red;
massResolution = .01;
}
var sequence = tbxSequence.Text;
MassDistribution spectrum;
if (string.IsNullOrEmpty(sequence))
{
var formula = tbxFormula.Text;
var molecule = Molecule.Parse(formula);
if (molecule.Values.Sum() > 10000000)
{
tbxFormula.BackColor = Color.Red;
return;
}
try
{
spectrum = Workspace.GetAminoAcidFormulas().GetMassDistribution(molecule, charge);
tbxFormula.BackColor = Color.White;
}
catch
{
tbxFormula.BackColor = Color.Red;
return;
}
}
else
{
tbxFormula.Text = Workspace.GetAminoAcidFormulas().GetFormula(sequence).ToString();
var turnoverCalculator = new TurnoverCalculator(Workspace, sequence);
var aminoAcidFormulas = Workspace.GetAminoAcidFormulasWithTracers();
aminoAcidFormulas = aminoAcidFormulas.SetMassResolution(massResolution);
try
{
if (cbxTracerPercents.Checked)
{
var tracerPercentFormula = TracerPercentFormula.Parse(tbxTracerFormula.Text);
spectrum = turnoverCalculator.GetAminoAcidFormulas(tracerPercentFormula)
.GetMassDistribution(sequence, charge);
}
else
{
var tracerFormula = TracerFormula.Parse(tbxTracerFormula.Text);
spectrum = aminoAcidFormulas.GetMassDistribution(
turnoverCalculator.MoleculeFromTracerFormula(tracerFormula), charge);
double massShift = aminoAcidFormulas.GetMassShift(sequence);
if (charge > 0)
{
massShift /= charge;
}
spectrum = spectrum.OffsetAndDivide(massShift, 1);
}
tbxTracerFormula.BackColor = Color.White;
}
catch
{
tbxTracerFormula.BackColor = Color.Red;
spectrum = aminoAcidFormulas.GetMassDistribution(sequence, charge);
}
}
if (spectrum == null)
{
return;
}
var curveItem = _msGraphControl.AddGraphItem(_msGraphControl.GraphPane, new GraphItem
{
Title = "Intensity",
Color = Color.Black,
Points =
new PointPairList(
spectrum.Keys.
ToArray(),
spectrum.Values.
ToArray())
});
curveItem.Label.IsVisible = false;
_msGraphControl.AxisChange();
_msGraphControl.Invalidate();
var entries = spectrum.ToArray();
dataGridView1.Rows.Add(entries.Length);
for (int i = 0; i < entries.Count(); i++)
{
var row = dataGridView1.Rows[i];
row.Cells[colMass.Index].Value = entries[i].Key;
row.Cells[colIntensity.Index].Value = entries[i].Value;
}
}
finally
{
_inUpdateGraph = false;
}
}