public GlobalWorkflow(string rawFileLocation, string scoreModelLocation = "DefaultScoringModel.xml")
{
var dataFactory = new LcMsDataFactory();
dataFactory.ProgressChanged += LcMsDataFactory_ProgressChanged;
LcMsRun = dataFactory.GetLcMsData(rawFileLocation);
ScoreModel = ScoreModelSerialization.Deserialize(scoreModelLocation);
}
public void TestConvertXmlToTsv()
{
const string scoringModelXmlLocation = @"..\..\..\..\LiquidBackend\DefaultScoringModel.xml";
var deserializedScoreModel = ScoreModelSerialization.Deserialize(scoringModelXmlLocation);
TextWriter textWriter = new StreamWriter("scoringModel.tsv");
textWriter.WriteLine(deserializedScoreModel.GetTsvHeader());
foreach (var scoreModelUnit in deserializedScoreModel.ScoreModelUnitList)
{
textWriter.WriteLine(scoreModelUnit.ToTsvString());
}
textWriter.Close();
}
public SingleTargetViewModel()
{
RawFilePath = "File loaded: none";
FragmentationModeList = new List <FragmentationMode> {
FragmentationMode.Positive, FragmentationMode.Negative
};
//this.AdductList = new List<Adduct> { Adduct.Hydrogen, Adduct.Dihydrogen, Adduct.Ammonium, Adduct.Acetate };
AdductList = Enum.GetValues(typeof(Adduct)).Cast <Adduct>().ToList();
IonTypeList = new List <string> {
"Product Ion", "Neutral Loss"
};
SpectrumSearchResultList = new List <SpectrumSearchResult>();
LipidTargetList = new List <Lipid>();
FragmentSearchList = new ObservableCollection <MsMsSearchUnit>();
LipidIdentifications = new List <Tuple <string, int> >();
ScoreModel = ScoreModelSerialization.Deserialize("DefaultScoringModel.xml");
AverageSpec = false;
}