本文整理汇总了C#中SrmDocument.ImportMassList方法的典型用法代码示例。如果您正苦于以下问题：C# SrmDocument.ImportMassList方法的具体用法？C# SrmDocument.ImportMassList怎么用？C# SrmDocument.ImportMassList使用的例子？那么恭喜您, 这里精选的方法代码示例或许可以为您提供帮助。您也可以进一步了解该方法所在类SrmDocument的用法示例。
在下文中一共展示了SrmDocument.ImportMassList方法的2个代码示例，这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞，您的评价将有助于系统推荐出更棒的C#代码示例。
示例1: VariableModImportListTest
public void VariableModImportListTest()
{
// TODO: Deal with multiple variable modifications that produce the same
// precursor mass but different product ion masses
SrmDocument document = new SrmDocument(SrmSettingsList.GetDefault());
var staticMods = new List<StaticMod>(document.Settings.PeptideSettings.Modifications.StaticModifications);
staticMods.AddRange(new[]
{
new StaticMod("Met Sulfoxide", "M", null, true, "O", LabelAtoms.None,
RelativeRT.Matching, null, null, new[] { new FragmentLoss("SOCH4") }),
new StaticMod("Met Sulfone", "M", null, true, "O2", LabelAtoms.None,
RelativeRT.Matching, null, null, null),
new StaticMod("Phospho", "S,T,Y", null, true, "PO3H", LabelAtoms.None,
RelativeRT.Matching, null, null, new[] {new FragmentLoss("PO4H3")}),
new StaticMod("K(GlyGly)", "K", null, true, "N2H6C4O2", LabelAtoms.None,
RelativeRT.Matching, null, null, null),
});
document = document.ChangeSettings(document.Settings.ChangePeptideModifications(mods =>
mods.ChangeStaticModifications(staticMods)));
IdentityPath pathTo;
List<MeasuredRetentionTime> irtPeptides;
List<SpectrumMzInfo> librarySpectra;
List<TransitionImportErrorInfo> errorList;
var inputsPhospho = new MassListInputs(TEXT_PHOSPHO_TRANSITION_LIST, CultureInfo.InvariantCulture, TextUtil.SEPARATOR_CSV);
document.ImportMassList(inputsPhospho, null, out pathTo, out irtPeptides, out librarySpectra, out errorList);
Assert.AreEqual(27, errorList.Count);
AssertEx.AreComparableStrings(TextUtil.SpaceSeparate(Resources.MassListRowReader_CalcTransitionExplanations_The_product_m_z__0__is_out_of_range_for_the_instrument_settings__in_the_peptide_sequence__1_,
Resources.MassListRowReader_CalcPrecursorExplanations_Check_the_Instrument_tab_in_the_Transition_Settings),
errorList[0].ErrorMessage,
2);
Assert.AreEqual(1, errorList[0].Column);
Assert.AreEqual(40, errorList[0].Row);
var docHighMax = document.ChangeSettings(document.Settings.ChangeTransitionInstrument(inst => inst.ChangeMaxMz(1800)));
var docList = docHighMax.ImportMassList(inputsPhospho, null, out pathTo);
AssertEx.Serializable(docList);
AssertEx.IsDocumentState(docList, 3, 68, 134, 157, 481);
foreach (var nodeTran in docList.PeptideTransitions)
{
var it = nodeTran.Transition.IonType;
Assert.IsTrue(it == IonType.y || it == IonType.b || it == IonType.precursor, "Found unexpected non b, y or precursor ion type.");
}
var inputsMultiLoss = new MassListInputs(TEXT_PHOSPHO_MULTI_LOSS, CultureInfo.InvariantCulture, TextUtil.SEPARATOR_CSV);
docHighMax.ImportMassList(inputsMultiLoss, null, out pathTo, out irtPeptides, out librarySpectra, out errorList);
Assert.AreEqual(5, errorList.Count);
AssertEx.AreComparableStrings(Resources.MassListRowReader_CalcTransitionExplanations_Product_m_z_value__0__in_peptide__1__has_no_matching_product_ion,
errorList[0].ErrorMessage,
2);
Assert.AreEqual(1, errorList[0].Column);
Assert.AreEqual(2, errorList[0].Row);
var docMultiLos = docHighMax.ChangeSettings(docHighMax.Settings.ChangePeptideModifications(mods =>
mods.ChangeMaxNeutralLosses(2)));
docList = docMultiLos.ImportMassList(inputsMultiLoss, null, out pathTo);
AssertEx.IsDocumentState(docList, 4, 4, 4, 12);
}示例2: InitWiffDocument
private static SrmDocument InitWiffDocument(TestFilesDir testFilesDir)
{
const LabelAtoms labelAtoms = LabelAtoms.C13 | LabelAtoms.N15;
List<StaticMod> heavyMods = new List<StaticMod>
{
new StaticMod("Heavy K", "K", ModTerminus.C, null, labelAtoms, null, null),
new StaticMod("Heavy R", "R", ModTerminus.C, null, labelAtoms, null, null),
};
SrmSettings settings = SrmSettingsList.GetDefault();
settings = settings.ChangePeptideModifications(mods => mods.ChangeHeavyModifications(heavyMods));
SrmDocument doc = new SrmDocument(settings);
IdentityPath selectPath;
string path = testFilesDir.GetTestPath("051309_transition list.csv");
// Product m/z out of range
var docError = doc;
List<MeasuredRetentionTime> irtPeptides;
List<SpectrumMzInfo> librarySpectra;
List<TransitionImportErrorInfo> errorList;
var inputs = new MassListInputs(path)
{
FormatProvider = CultureInfo.InvariantCulture,
Separator = TextUtil.SEPARATOR_CSV
};
docError.ImportMassList(inputs, null, out selectPath, out irtPeptides, out librarySpectra, out errorList);
Assert.AreEqual(errorList.Count, 1);
AssertEx.AreComparableStrings(TextUtil.SpaceSeparate(Resources.MassListRowReader_CalcTransitionExplanations_The_product_m_z__0__is_out_of_range_for_the_instrument_settings__in_the_peptide_sequence__1_,
Resources.MassListRowReader_CalcPrecursorExplanations_Check_the_Instrument_tab_in_the_Transition_Settings),
errorList[0].ErrorMessage,
2);
Assert.AreEqual(errorList[0].Column, 1);
Assert.AreEqual(errorList[0].Row, 19);
doc = doc.ChangeSettings(settings.ChangeTransitionInstrument(inst => inst.ChangeMaxMz(1800)));
inputs = new MassListInputs(path)
{
FormatProvider = CultureInfo.InvariantCulture,
Separator = TextUtil.SEPARATOR_CSV
};
doc = doc.ImportMassList(inputs, null, out selectPath);
AssertEx.IsDocumentState(doc, 2, 9, 9, 18, 54);
return doc;
}