public PrositPingRequest(string ms2Model, string rtModel, SrmSettings settings,
PeptideDocNode peptide, TransitionGroupDocNode precursor, int nce, Action updateCallback) : base(null,
null, null, settings, peptide, precursor, null, nce, updateCallback)
{
Client = PrositPredictionClient.CreateClient(PrositConfig.GetPrositConfig());
IntensityModel = PrositIntensityModel.GetInstance(ms2Model);
RTModel = PrositRetentionTimeModel.GetInstance(rtModel);
if (IntensityModel == null && RTModel == null)
{
throw new PrositNotConfiguredException();
}
}
public PrositLibraryBuilder(SrmDocument doc, string name, string outPath, Func <bool> replaceLibrary,
IrtStandard irtStandard, IList <PeptideDocNode> peptides, IList <TransitionGroupDocNode> precursors, int nce)
{
_prositClient = PrositPredictionClient.Current;
_intensityModel = PrositIntensityModel.Instance;
_rtModel = PrositRetentionTimeModel.Instance;
_peptides = peptides;
_precursors = precursors;
_document = doc;
LibrarySpec = new BiblioSpecLiteSpec(name, outPath); // Needs to be created before building
_replaceLibrary = replaceLibrary;
IrtStandard = irtStandard;
_nce = nce;
}
public bool TestClient(PrositPredictionClient client)
{
var pingPep = new Peptide(@"PING");
var peptide = new PeptideDocNode(pingPep);
var precursor = new TransitionGroupDocNode(new TransitionGroup(pingPep, Adduct.SINGLY_PROTONATED, IsotopeLabelType.light),
new TransitionDocNode[0]);
var input = new PrositIntensityModel.PeptidePrecursorNCE(peptide, precursor, IsotopeLabelType.light, 32);
var intensityModel = PrositIntensityModel.GetInstance(PrositIntensityModel.Models.First());
try
{
intensityModel.PredictSingle(client, SrmSettingsList.GetDefault(), input, CancellationToken.None);
return(true);
}
catch (Exception)
{
return(false);
}
}
