protected FeatureNode(IsotopomerFeatures isotopomerFeatures, IonType ionType, Feature precursorFeature, GroupParameter groupParameter)
{
_isotopomerFeatures = isotopomerFeatures;
FragmentIonClassBase = ionType;
PrecursorFeature = precursorFeature;
GroupParameter = groupParameter;
GetCorrelations();
}
private void UpdatePrecursorFeatureNode(Feature precursorFeature)
{
if (_previousPrecursorFeature != null && _previousPrecursorFeature == precursorFeature)
{
return;
}
var parameter = new GroupParameter(_precursorIon);
PrecursorFeatureNode =
new PrecursorFeatureNode(
IsotopomerFeatures.GetPrecursorIsotopomerFeatures(_imsData, _precursorIon, precursorFeature),
parameter, _scoringParams);
_previousPrecursorFeature = precursorFeature;
}
private List <FragmentFeatureNode> GetFragmentNodes(ImsDataCached imsData, Feature precursorFeature, Composition cutComposition, Ion precursorIon, GroupParameter parameter)
{
var ionTypes = _scoringParams.GetIonTypes(parameter);
var nodes = new List <FragmentFeatureNode>();
var suffixComposition = precursorIon.Composition - Composition.H2O - cutComposition;
//Console.WriteLine(cutComposition.GetMass() + " " + suffixComposition.GetMass());
foreach (var ionType in ionTypes)
{
var composition = ionType.IsPrefixIon ? cutComposition : suffixComposition;
//Console.WriteLine("FragFeatureGraph\t" + ionType.Name + "\t" + composition.GetMass() + "\t" + ionType.GetIon(composition).GetMonoIsotopicMz());
var node = new FragmentFeatureNode(IsotopomerFeatures.GetFramentIsotopomerFeatures(imsData, composition, ionType, precursorFeature), ionType, precursorFeature, parameter, _scoringParams);
//if(node.Feature != null)
// if (20 * node.Feature.IntensityMax < precursorFeature.IntensityMax || node.Feature.IntensityMax > 20 * precursorFeature.IntensityMax) continue; //
nodes.Add(node);
}
return(nodes);
}
public FragmentFeatureNode(IsotopomerFeatures isotopomerFeatures, IonType fragmentIonClassBase, Feature precursorFeature,
GroupParameter parameter, SubScoreFactory scoringParams)
: base(isotopomerFeatures, fragmentIonClassBase, precursorFeature, parameter)
{
_scoringParams = scoringParams;
}