public bool Equals(IsolationWindow other)
{
if (ReferenceEquals(null, other))
{
return(false);
}
if (ReferenceEquals(this, other))
{
return(true);
}
return(other.Start.Equals(Start) && other.End.Equals(End) && other.Target.Equals(Target) &&
other.StartMargin.Equals(StartMargin) && other.EndMargin.Equals(EndMargin) &&
other.CERange.Equals(CERange));
}
public IsolationWindow GetIsolationWindow(double targetMz, double matchTolerance)
{
IsolationWindow isolationWindow = null;
if (!FromResults)
{
// Match pre-specified targets.
if (PrespecifiedIsolationWindows[0].Target.HasValue)
{
foreach (var window in PrespecifiedIsolationWindows)
{
if (!window.TargetMatches(targetMz, matchTolerance))
{
continue;
}
if (isolationWindow != null)
{
throw new InvalidDataException(
string.Format(Resources.SpectrumFilter_FindFilterPairs_Two_isolation_windows_contain_targets_which_match_the_isolation_target__0__,
targetMz));
}
isolationWindow = window;
}
}
// Find containing window.
else
{
double?bestDeltaMz = null;
// find the window with center closest to the target m/z
foreach (var window in PrespecifiedIsolationWindows)
{
if (!window.Contains(targetMz))
{
continue;
}
var winCenter = (window.IsolationStart + window.IsolationEnd) / 2.0;
var deltaMz = Math.Abs(winCenter - targetMz);
if (isolationWindow == null || deltaMz < bestDeltaMz)
{
isolationWindow = window;
bestDeltaMz = deltaMz;
}
}
}
}
return(isolationWindow);
}
private IEnumerable <IsolationWindow> GetDisjointRanges(IList <IsolationWindow> isolationWindows)
{
var listIsolationWindows = new List <IsolationWindow>(isolationWindows);
listIsolationWindows.Sort((w1, w2) => Comparer <double> .Default.Compare(w1.Start, w2.Start));
int iDisjoint = 0;
for (int i = 1; i < listIsolationWindows.Count; i++)
{
var disjointWindow = listIsolationWindows[iDisjoint];
var nextWindow = listIsolationWindows[i];
if (disjointWindow.End >= nextWindow.Start)
{
listIsolationWindows[iDisjoint] = new IsolationWindow(disjointWindow.Start, nextWindow.End);
}
else
{
iDisjoint++;
listIsolationWindows[iDisjoint] = nextWindow;
}
}
return(listIsolationWindows.Take(iDisjoint + 1));
}
private IEnumerable<IsolationWindow> GetDisjointRanges(IList<IsolationWindow> isolationWindows)
{
var listIsolationWindows = new List<IsolationWindow>(isolationWindows);
listIsolationWindows.Sort((w1, w2) => Comparer<double>.Default.Compare(w1.Start, w2.Start));
int iDisjoint = 0;
for (int i = 1; i < listIsolationWindows.Count; i++)
{
var disjointWindow = listIsolationWindows[iDisjoint];
var nextWindow = listIsolationWindows[i];
if (disjointWindow.End >= nextWindow.Start)
{
listIsolationWindows[iDisjoint] = new IsolationWindow(disjointWindow.Start, nextWindow.End);
}
else
{
iDisjoint++;
listIsolationWindows[iDisjoint] = nextWindow;
}
}
return listIsolationWindows.Take(iDisjoint + 1);
}
public bool Equals(IsolationWindow other)
{
if (ReferenceEquals(null, other)) return false;
if (ReferenceEquals(this, other)) return true;
return other.Start.Equals(Start) && other.End.Equals(End) && other.Target.Equals(Target) &&
other.StartMargin.Equals(StartMargin) && other.EndMargin.Equals(EndMargin) &&
other.CERange.Equals(CERange);
}
protected virtual void WriteIsolationWindow(TextWriter writer, IsolationWindow isolationWindow)
{
double target = isolationWindow.Target ?? isolationWindow.MethodCenter;
writer.WriteLine(SequenceMassCalc.PersistentMZ(target).ToString(CultureInfo.InvariantCulture));
}
