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Refine > Optimize Transitions dialog #2572

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3962dde
Bilinear limit of quantification
Apr 11, 2022
dbf8f3b
ComputeLod
Apr 25, 2022
bf59383
ComputeBootstrappedLoq
Apr 26, 2022
f921b21
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
May 25, 2022
17526a2
BilinearCurveFitter
May 26, 2022
dfc2504
OptimizeTransitions
May 28, 2022
2ec200d
OptimizeTransitionsDlg
May 30, 2022
03fc065
Reconsider non quantitative transitions.
May 30, 2022
7fa618b
Non modal dialog.
May 31, 2022
dc0289b
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Jun 3, 2022
f825bfd
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Jul 21, 2022
be642d4
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Aug 3, 2022
c75c203
Fix build
Aug 3, 2022
2822589
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Aug 30, 2022
0fe26a1
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Sep 7, 2022
5390c34
Remove unused imports
Sep 7, 2022
7d39a1f
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Nov 8, 2022
25ab2b3
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Nov 9, 2022
cc01cd0
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Nov 18, 2022
9045f38
BilinearRegressionFit
Nov 21, 2022
6a0c046
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
nickshulman Dec 15, 2022
693441c
Merge branch 'Skyline/work/20220411_BilinearLimitOfQuantification' of…
Dec 28, 2022
2ce456f
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Dec 28, 2022
0340b5a
Fix line endings
Dec 28, 2022
e783e94
Fix NaN's in optimize transitions dialog
Dec 28, 2022
da55d85
Add random seed to OptimizeTransitionsDlg
Jan 25, 2023
9821f1b
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Jan 25, 2023
0fa22df
OptimizeTransitionDetails
Feb 4, 2023
4d21a26
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Feb 4, 2023
05af8e4
Transition optimization
nickshulman Feb 5, 2023
4717371
OptimizeTransitionsForm
Feb 5, 2023
1de8900
CalibrationGraphControl
nickshulman Feb 6, 2023
4b6352f
Reject bilinear curves with negative slopes.
Feb 7, 2023
6bb73de
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Feb 7, 2023
caa9f8e
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Feb 9, 2023
2820782
Option whether combine points at same concentration.
Mar 18, 2023
f9a5dae
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Mar 18, 2023
00f8bd9
Fix build
Mar 18, 2023
d9f330d
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Mar 22, 2023
f5f4dec
Menu item brings up OptimizeTransitionsForm.
Mar 23, 2023
a9fb8e8
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Mar 23, 2023
11aef05
Fix bug where BilinearCurveFitter.ComputeQuantLimits had switched LOD…
Mar 23, 2023
d0f3518
Fix problem where QuantificationSettings.MaxLoqCv needed to be divide…
Mar 23, 2023
54703f9
GetStandardPoints
Mar 23, 2023
d692062
Clean up UI
Mar 24, 2023
73bc9cd
Make OptimizeDocumentTransitionsForm not dockable.
Mar 24, 2023
3c736db
Make CalibrationCurveOptions immutable
Mar 24, 2023
f6426e1
Option to show bootstrap curves
Mar 24, 2023
11bb55d
CalibrationCurveOptionsDlg
Mar 25, 2023
c771f35
Fix title on Calibration Curve Options dialog.
Mar 28, 2023
0586a65
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Mar 28, 2023
fd6a038
Make it so that points below the baseline of a bilinear curve all get…
Mar 28, 2023
89f855d
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Mar 29, 2023
68d17c7
Add class "BootstrapFiguresOfMeritCalculator"
Mar 31, 2023
6a275be
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Mar 31, 2023
4e890e9
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Apr 5, 2023
d59cdd3
Fix some warnings.
Apr 14, 2023
797dd8f
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Apr 14, 2023
137151e
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Apr 15, 2023
5a38410
Fix "TestCalibration"
Apr 18, 2023
b16adf8
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Apr 18, 2023
319a1ac
TransitionOptimizationTest
Apr 18, 2023
4c8fb9b
Fix some tests
Apr 21, 2023
466c238
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Apr 21, 2023
b5cb2c6
Revert Skyline.csproj settings related to the private build I had bee…
Apr 24, 2023
3d79e99
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Apr 24, 2023
ed99fec
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
May 7, 2023
4c26a57
Fix build
May 7, 2023
474b56d
Fix TestFiguresOfMerit
May 7, 2023
a01cbe7
Fix TestBilinearFit
May 7, 2023
3658bd4
Fix code inspection
May 8, 2023
6d5e994
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
May 25, 2023
165865e
PiecewiseLinearFittingTest which generates graphs to use on my poster
May 31, 2023
ae03f3a
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Aug 25, 2023
92b42f4
Fix bad merge
Aug 25, 2023
9e01b96
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
May 22, 2024
7c70519
Add missing files.
May 22, 2024
92363fe
Merge branch 'master' into Skyline/work/20230204_TransitionOptimization
nickshulman May 22, 2024
c0a8036
Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
Jul 25, 2024
6ea28f9
Merge branch 'master' into Skyline/work/20230204_TransitionOptimization
nickshulman Jul 26, 2024
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Original file line number Diff line number Diff line change
Expand Up @@ -190,6 +190,7 @@ protected IEnumerable<RowItem> Sort(CancellationToken cancellationToken, DataSch
var sortRows = new SortRow[unsortedRows.Count];
for (int iRow = 0; iRow < sortRows.Length; iRow++)
{
cancellationToken.ThrowIfCancellationRequested();
sortRows[iRow] = new SortRow(cancellationToken, dataSchema, sortDescriptions, unsortedRows[iRow], iRow);
}
Array.Sort(sortRows);
Expand Down
8 changes: 8 additions & 0 deletions pwiz_tools/Shared/CommonUtil/Collections/IndexedList.cs
Original file line number Diff line number Diff line change
Expand Up @@ -103,6 +103,10 @@ public int IndexOf(T item)

public void Insert(int index, T item)
{
if (item == null)
{
throw new ArgumentNullException(nameof(item));
}
if (index == Count)
{
Add(item);
Expand All @@ -128,6 +132,10 @@ public T this[int index]
}
set
{
if (null == value)
{
throw new ArgumentNullException();
}
var oldValue = _items[index];
_itemIndexes.Remove(oldValue);
_itemIndexes.Add(value, index);
Expand Down
Original file line number Diff line number Diff line change
Expand Up @@ -413,7 +413,7 @@ public void DocumentOnChanged(object sender, DocumentChangedEventArgs args)
}
}

public new bool IsComplete
public override bool IsComplete
{
get
{
Expand Down
Original file line number Diff line number Diff line change
Expand Up @@ -198,7 +198,7 @@ public DataGridViewColumn FindColumn(PropertyPath propertyPath)
return databoundGridControl.FindColumn(propertyPath);
}

public bool IsComplete
public virtual bool IsComplete
{
get
{
Expand Down

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Original file line number Diff line number Diff line change
@@ -0,0 +1,53 @@
using System;
using System.Globalization;
using System.Linq;
using System.Windows.Forms;
using pwiz.Skyline.Model.DocSettings.AbsoluteQuantification;
using pwiz.Skyline.Util;

namespace pwiz.Skyline.Controls.Graphs.Calibration
{
public partial class CalibrationCurveOptionsDlg : FormEx
{
public CalibrationCurveOptionsDlg()
{
InitializeComponent();
checkedListBoxSampleTypes.Items.AddRange(SampleType.ALL.ToArray());
var options = Properties.Settings.Default.CalibrationCurveOptions;
textLineWidth.Text = options.LineWidth.ToString(CultureInfo.CurrentCulture);
GraphFontSize.PopulateCombo(textSizeComboBox, options.FontSize);
cbxLogXAxis.Checked = options.LogXAxis;
cbxLogYAxis.Checked = options.LogYAxis;
for (int i = 0; i < checkedListBoxSampleTypes.Items.Count; i++)
{
checkedListBoxSampleTypes.SetItemChecked(i, options.DisplaySampleTypes.Contains(checkedListBoxSampleTypes.Items[i]));
}

cbxSingleBatch.Checked = options.SingleBatch;
cbxShowLegend.Checked = options.ShowLegend;
cbxShowFiguresOfMerit.Checked = options.ShowFiguresOfMerit;
cbxShowBootstrapCurves.Checked = options.ShowBootstrapCurves;
}

public void OkDialog()
{
var options = Properties.Settings.Default.CalibrationCurveOptions;
options = options.ChangeLineWidth((float)textLineWidth.Value)
.ChangeFontSize(GraphFontSize.GetFontSize(textSizeComboBox).PointSize)
.ChangeLogXAxis(cbxLogXAxis.Checked)
.ChangeLogYAxis(cbxLogYAxis.Checked)
.ChangeDisplaySampleTypes(checkedListBoxSampleTypes.CheckedItems.OfType<SampleType>())
.ChangeSingleBatch(cbxSingleBatch.Checked)
.ChangeShowLegend(cbxShowLegend.Checked)
.ChangeShowFiguresOfMerit(cbxShowFiguresOfMerit.Checked)
.ChangeShowBootstrapCurves(cbxShowBootstrapCurves.Checked);
Properties.Settings.Default.CalibrationCurveOptions = options;
DialogResult = DialogResult.OK;
}

private void btnOk_Click(object sender, EventArgs e)
{
OkDialog();
}
}
}
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