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Skyline: Update small molecule tutorials to remove the word "peptide"…
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… and update screenshots (#2747) (#2750)
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brendanx67 authored Oct 13, 2023
1 parent bde6557 commit 85202be
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Showing 8 changed files with 27 additions and 23 deletions.

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Expand Up @@ -266,23 +266,23 @@
<comment>Not to be localized with other Skyline content. Skyline developers will take care of localizing these.</comment>
</data>
<data name="SmallMoleculeMethodDevCEOpt_pdf" xml:space="preserve">
<value>https://skyline.ms/_webdav/home/software/Skyline/%40files/tutorials/SmallMoleculeMethodDevCEOpt-20_1.pdf</value>
<value>https://skyline.ms/_webdav/home/software/Skyline/%40files/tutorials/SmallMoleculeMethodDevCEOpt-23_1.pdf</value>
<comment>Not to be localized with other Skyline content. Skyline developers will take care of localizing these.</comment>
</data>
<data name="SmallMoleculeQuantification_zip" xml:space="preserve">
<value>https://skyline.ms/tutorials/SmallMoleculeQuantification.zip</value>
<comment>Not to be localized with other Skyline content. Skyline developers will take care of localizing these.</comment>
</data>
<data name="SmallMoleculeQuantification_pdf" xml:space="preserve">
<value>https://skyline.ms/_webdav/home/software/Skyline/%40files/tutorials/SmallMoleculeQuant-20_1.pdf</value>
<value>https://skyline.ms/_webdav/home/software/Skyline/%40files/tutorials/SmallMoleculeQuant-23_1.pdf</value>
<comment>Not to be localized with other Skyline content. Skyline developers will take care of localizing these.</comment>
</data>
<data name="HiResMetabolomics_zip" xml:space="preserve">
<value>https://skyline.ms/tutorials/HiResMetabolomics.zip</value>
<comment>Not to be localized with other Skyline content. Skyline developers will take care of localizing these.</comment>
</data>
<data name="HiResMetabolomics_pdf" xml:space="preserve">
<value>https://skyline.ms/_webdav/home/software/Skyline/%40files/tutorials/HiResMetabolomics-20_1.pdf</value>
<value>https://skyline.ms/_webdav/home/software/Skyline/%40files/tutorials/HiResMetabolomics-23_1.pdf</value>
<comment>Not to be localized with other Skyline content. Skyline developers will take care of localizing these.</comment>
</data>
<data name="SmallMolLibraries_zip" xml:space="preserve">
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32 changes: 18 additions & 14 deletions pwiz_tools/Skyline/TestPerf/HiResMetabolomicsTutorial.cs
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Expand Up @@ -202,7 +202,7 @@ protected override void DoTest()

var expectedTransCount = new Dictionary<string, int[]>
{
// peptides, transition groups, heavy transition groups, tranistions, heavy transitions
// peptides, transition groups, heavy transition groups, transitions, heavy transitions
{"default", new[] {4, 4, 3, 8, 6}}, // Most have these values
{"ID31609_01_E749_4745_091517", new[] {4, 4, 3, 7, 6}},

Expand Down Expand Up @@ -233,7 +233,7 @@ protected override void DoTest()
documentGrid = FindOpenForm<DocumentGridForm>();
}
if (!IsCoverShotMode)
RunUI(() => documentGrid.ChooseView(Resources.Resources_ReportSpecList_GetDefaults_Peptide_Quantification));
RunUI(() => documentGrid.ChooseView(Resources.PersistedViews_GetDefaults_Molecule_Quantification));
else
{
RunUI(() => documentGrid.DataboundGridControl.ChooseView(new ViewName(ViewGroup.BUILT_IN.Id,
Expand Down Expand Up @@ -286,7 +286,7 @@ protected override void DoTest()
peptideSettingsUI.QuantUnits = "uM";
});

PauseForScreenShot<PeptideSettingsUI.QuantificationTab>("Peptide Settings - Quantitation", 13);
PauseForScreenShot<PeptideSettingsUI.QuantificationTab>("Molecule Settings - Quantitation", 13);
OkDialog(peptideSettingsUI, peptideSettingsUI.OkDialog);
}

Expand Down Expand Up @@ -316,30 +316,34 @@ protected override void DoTest()
});
// Make sure the edits have flowed to the document
WaitForConditionUI(() => SkylineWindow.DocumentUI.Settings.MeasuredResults.Chromatograms.Where(c => c.Name.StartsWith("GW")).All(c => c.SampleType.Equals(SampleType.QC)));
RestoreViewOnScreen(14);
PauseForScreenShot<DocumentGridForm>("Document Grid - replicates", 14);

// Finish setting up quant
var documentGrid3 = FindOpenForm<DocumentGridForm>();
RunUI(() =>
{
documentGrid3.ChooseView(Resources.Resources_ReportSpecList_GetDefaults_Peptide_Quantification);
documentGrid3.ChooseView(Resources.PersistedViews_GetDefaults_Molecule_Quantification);
});
WaitForConditionUI(() => (documentGrid3.RowCount > 0 &&
documentGrid3.ColumnCount > 6)); // Let it initialize
WaitForConditionUI(() => documentGrid3.IsComplete);

RunUI(() =>
{
var colNormal = documentGrid3.FindColumn(PropertyPath.Root.Property("NormalizationMethod"));
var colMultiplier = documentGrid3.FindColumn(PropertyPath.Root.Property("ConcentrationMultiplier"));
const int indexOfHeavyDha = 6;
var gridView = documentGrid3.DataGridView;
var methods = ((DataGridViewComboBoxCell) gridView.Rows[0].Cells[6]).Items;
var ratioToSurrogateHeavyDHA = ((Tuple<String, NormalizationMethod>)methods[6]).Item2;
gridView.Rows[0].Cells[5].Value = 2838.0;
gridView.Rows[1].Cells[5].Value = 54.0;
gridView.Rows[1].Cells[6].Value = ratioToSurrogateHeavyDHA;
gridView.Rows[2].Cells[5].Value = 984.0;
gridView.Rows[3].Cells[5].Value = 118.0;
var methods = ((DataGridViewComboBoxCell) gridView.Rows[0].Cells[colNormal.Index]).Items;
var ratioToSurrogateHeavyDHA = ((Tuple<String, NormalizationMethod>)methods[indexOfHeavyDha]).Item2;
gridView.Rows[0].Cells[colMultiplier.Index].Value = 2838.0;
gridView.Rows[1].Cells[colMultiplier.Index].Value = 54.0;
gridView.Rows[1].Cells[colNormal.Index].Value = ratioToSurrogateHeavyDHA;
gridView.Rows[2].Cells[colMultiplier.Index].Value = 984.0;
gridView.Rows[3].Cells[colMultiplier.Index].Value = 118.0;
});

PauseForScreenShot<DocumentGridForm>("Document Grid - peptide quant again", 15);
RestoreViewOnScreen(15);
PauseForScreenShot<DocumentGridForm>("Document Grid - molecule quant again", 15);

RunUI(() => SkylineWindow.ShowCalibrationForm());
SelectNode(SrmDocument.Level.Molecules, 0);
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Expand Up @@ -253,7 +253,7 @@ protected override void DoTest()
peptideSettingsUI.QuantMsLevel = null; // All
peptideSettingsUI.QuantUnits = "uM";
});
PauseForScreenShot<PeptideSettingsUI.QuantificationTab>("Peptide Settings - Quantitation", 17);
PauseForScreenShot<PeptideSettingsUI.QuantificationTab>("Molecule Settings - Quantification", 17);
OkDialog(peptideSettingsUI, peptideSettingsUI.OkDialog);
}

Expand Down Expand Up @@ -394,14 +394,14 @@ protected override void DoTest()

ImportReplicates(false); // Import the rest of the replicates

RunUI(() => documentGrid.ChooseView(Resources.ReportSpecList_GetDefaults_Peptide_Ratio_Results));
RunUI(() => documentGrid.ChooseView(Resources.PersistedViews_GetDefaults_Molecule_Ratio_Results));
WaitForConditionUI(() => documentGrid.ColumnCount > 6);
RunUI(() => {
var colReplicate = documentGrid.FindColumn(PropertyPath.Parse("Results!*.Value.ResultFile.Replicate"));
documentGrid.DataGridView.Sort(colReplicate, ListSortDirection.Ascending);
});

PauseForScreenShot<DocumentGridForm>("Document Grid - Peptide Ratio Results - manually widen to show all columns", 25);
PauseForScreenShot<DocumentGridForm>("Document Grid - Molecule Ratio Results - manually widen to show all columns", 25);
Settings.Default.CalibrationCurveOptions.LogXAxis = true;
Settings.Default.CalibrationCurveOptions.LogYAxis = true;

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