public RetentionTimeAlignment GetRetentionTimeAlignment(MsDataFile other)
{
var key = new RetentionTimeAlignments.AlignmentKey(Id, other.Id);
var alignmentValue = Workspace.RetentionTimeAlignments.GetAlignment(key);
if (null != alignmentValue)
{
return(alignmentValue);
}
RetentionTimeAlignment result;
IList <string> regressedPeptides;
var regressionWithOutliers = RegressTimes(other, out regressedPeptides);
var refined = regressionWithOutliers.Refine();
if (refined != null)
{
result = new RetentionTimeAlignment(refined.Slope, refined.Intercept);
}
else
{
result = RetentionTimeAlignment.Invalid;
}
Workspace.RetentionTimeAlignments.AddAlignment(key, result);
return(result);
}
public void AddAlignment(AlignmentKey alignmentKey, RetentionTimeAlignment alignmentValue)
{
_alignments = ImmutableSortedList.FromValues(
_alignments.Concat(new[]
{
new KeyValuePair <AlignmentKey, RetentionTimeAlignment>(alignmentKey, alignmentValue)
}));
}
public void AddAlignment(AlignmentKey alignmentKey, RetentionTimeAlignment alignmentValue)
{
_alignments = ImmutableSortedList.FromValues(
_alignments.Concat(new[]
{
new KeyValuePair<AlignmentKey, RetentionTimeAlignment>(alignmentKey, alignmentValue)
}));
}