private void AddCurve(SrmDocument document, Color color)
{
var predict = document.Settings.PeptideSettings.Prediction;
bool fullScan = document.Settings.TransitionSettings.FullScan.IsEnabledMsMs;
// TODO: Guess this value from the document
const bool singleWindow = false;
List <PrecursorScheduleBase> listSchedules = new List <PrecursorScheduleBase>();
double xMax = double.MinValue, xMin = double.MaxValue;
foreach (var nodePep in document.Molecules)
{
foreach (TransitionGroupDocNode nodeGroup in nodePep.Children)
{
double timeWindow;
double?retentionTime = predict.PredictRetentionTime(document, nodePep, nodeGroup, SchedulingReplicateIndex,
SchedulingAlgorithm, singleWindow, out timeWindow);
var nodeGroupPrimary = PrimaryTransitionCount > 0
? nodePep.GetPrimaryResultsGroup(nodeGroup)
: null;
if (retentionTime.HasValue)
{
// TODO: Make it possible to see transition scheduling when full-scan enabled.
var schedule = new PrecursorScheduleBase(nodeGroup,
nodeGroupPrimary,
retentionTime.Value,
timeWindow,
fullScan,
SchedulingReplicateIndex,
PrimaryTransitionCount,
0);
xMin = Math.Min(xMin, schedule.StartTime);
xMax = Math.Max(xMax, schedule.EndTime);
listSchedules.Add(schedule);
}
}
}
PointPairList points = new PointPairList();
xMin -= 1.0;
xMax += 1.0;
for (double x = xMin; x < xMax; x += 0.1)
{
points.Add(x, PrecursorScheduleBase.GetOverlapCount(listSchedules, x));
}
string label = string.Format(Resources.RTScheduleGraphPane_AddCurve__0__Minute_Window, GetSchedulingWindow(document));
var curve = AddCurve(label, points, color);
curve.Line.IsAntiAlias = true;
curve.Line.IsOptimizedDraw = true;
// TODO: Give this graph its own line width
curve.Line.Width = Settings.Default.ChromatogramLineWidth;
curve.Symbol.IsVisible = false;
}
private void AddCurve(SrmDocument document, Color color, IProgressMonitor progressMonitor)
{
if (!string.IsNullOrEmpty(BrukerTemplateFile))
{
IPointList brukerPoints = null;
if (BrukerMetrics != null)
{
brukerPoints = BrukerMetrics.Get(BrukerMetricType);
}
else
{
BrukerTimsTofMethodExporter.GetScheduling(document,
new ExportDlgProperties(new ExportMethodDlg(document, ExportFileType.Method), new CancellationToken())
{
MethodType = ExportMethodType.Scheduled
},
BrukerTemplateFile, progressMonitor, out brukerPoints);
}
AddCurve(document, brukerPoints, color);
return;
}
var predict = document.Settings.PeptideSettings.Prediction;
bool fullScan = document.Settings.TransitionSettings.FullScan.IsEnabledMsMs;
// TODO: Guess this value from the document
const bool singleWindow = false;
List <PrecursorScheduleBase> listSchedules = new List <PrecursorScheduleBase>();
double xMax = double.MinValue, xMin = double.MaxValue;
foreach (var nodePep in document.Molecules)
{
foreach (TransitionGroupDocNode nodeGroup in nodePep.Children)
{
double timeWindow;
double?retentionTime = predict.PredictRetentionTime(document, nodePep, nodeGroup, SchedulingReplicateIndex,
SchedulingAlgorithm, singleWindow, out timeWindow);
var nodeGroupPrimary = PrimaryTransitionCount > 0
? nodePep.GetPrimaryResultsGroup(nodeGroup)
: null;
if (retentionTime.HasValue)
{
// TODO: Make it possible to see transition scheduling when full-scan enabled.
var schedule = new PrecursorScheduleBase(nodeGroup,
nodeGroupPrimary,
retentionTime.Value,
timeWindow,
fullScan,
SchedulingReplicateIndex,
PrimaryTransitionCount,
0);
xMin = Math.Min(xMin, schedule.StartTime);
xMax = Math.Max(xMax, schedule.EndTime);
listSchedules.Add(schedule);
}
}
}
PointPairList points = new PointPairList();
xMin -= 1.0;
xMax += 1.0;
for (double x = xMin; x < xMax; x += 0.1)
{
points.Add(x, PrecursorScheduleBase.GetOverlapCount(listSchedules, x));
}
AddCurve(document, points, color);
}
private void AddCurve(SrmDocument document, Color color)
{
var predict = document.Settings.PeptideSettings.Prediction;
bool fullScan = document.Settings.TransitionSettings.FullScan.IsEnabledMsMs;
// TODO: Guess this value from the document
const bool singleWindow = false;
List<PrecursorScheduleBase> listSchedules = new List<PrecursorScheduleBase>();
double xMax = double.MinValue, xMin = double.MaxValue;
foreach (var nodePep in document.Molecules)
{
foreach (TransitionGroupDocNode nodeGroup in nodePep.Children)
{
double timeWindow;
double? retentionTime = predict.PredictRetentionTime(document, nodePep, nodeGroup, SchedulingReplicateIndex,
SchedulingAlgorithm, singleWindow, out timeWindow);
var nodeGroupPrimary = PrimaryTransitionCount > 0
? nodePep.GetPrimaryResultsGroup(nodeGroup)
: null;
if (retentionTime.HasValue)
{
// TODO: Make it possible to see transition scheduling when full-scan enabled.
var schedule = new PrecursorScheduleBase(nodeGroup,
nodeGroupPrimary,
retentionTime.Value,
timeWindow,
fullScan,
SchedulingReplicateIndex,
PrimaryTransitionCount,
0);
xMin = Math.Min(xMin, schedule.StartTime);
xMax = Math.Max(xMax, schedule.EndTime);
listSchedules.Add(schedule);
}
}
}
PointPairList points = new PointPairList();
xMin -= 1.0;
xMax += 1.0;
for (double x = xMin; x < xMax; x += 0.1)
points.Add(x, PrecursorScheduleBase.GetOverlapCount(listSchedules, x));
string label = string.Format(Resources.RTScheduleGraphPane_AddCurve__0__Minute_Window, GetSchedulingWindow(document));
var curve = AddCurve(label, points, color);
curve.Line.IsAntiAlias = true;
curve.Line.IsOptimizedDraw = true;
// TODO: Give this graph its own line width
curve.Line.Width = Settings.Default.ChromatogramLineWidth;
curve.Symbol.IsVisible = false;
}
