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Add SpectrumLabel and label selection to UI #626

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Add SpectrumLabel and label selection to UI #626

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2 changes: 2 additions & 0 deletions src/MSDIAL5/SpectrumViewer/Model/DisplayScan.cs
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Original file line number Diff line number Diff line change
Expand Up @@ -4,6 +4,7 @@
using CompMs.CommonMVVM;
using System;
using System.Collections.Generic;
using System.Linq;

namespace CompMs.App.SpectrumViewer.Model
{
Expand Down Expand Up @@ -35,6 +36,7 @@ public bool IsSelected {
public ChromXs ChromXs { get => Scan.ChromXs; set => Scan.ChromXs = value; }
public IonMode IonMode { get => Scan.IonMode; set => Scan.IonMode = value; }
public double PrecursorMz { get => Scan.PrecursorMz; set => Scan.PrecursorMz = value; }
public object[] SpectrumLabel => Scan.Spectrum.Select(p => new { p.Mass, p.Intensity, NeutralLoss = p.Mass - Scan.PrecursorMz }).ToArray();
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Copilot AI Sep 17, 2025

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This property creates a new array every time it's accessed. Consider caching the result or making it a method to make the performance cost explicit, especially if this property is bound to UI controls that may access it frequently.

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public object[] SpectrumLabel => Scan.Spectrum.Select(p => new { p.Mass, p.Intensity, NeutralLoss = p.Mass - Scan.PrecursorMz }).ToArray();
public object[] GetSpectrumLabel() {
return Scan.Spectrum.Select(p => new { p.Mass, p.Intensity, NeutralLoss = p.Mass - Scan.PrecursorMz }).ToArray();
}

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Copilot AI Sep 17, 2025

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Using anonymous objects and object[] creates a weakly-typed API that's prone to runtime errors. Consider creating a dedicated class or struct (e.g., SpectrumLabelData) with Mass, Intensity, and NeutralLoss properties for better type safety.

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public void AddPeak(double mass, double intensity, string comment = null) {
Scan.AddPeak(mass, intensity, comment);
Expand Down
18 changes: 14 additions & 4 deletions src/MSDIAL5/SpectrumViewer/View/ViewTemplates.xaml
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Expand Up @@ -370,12 +370,13 @@
</ToolTip>
</chart:LineSpectrumControlSlim.ToolTip>
</chart:LineSpectrumControlSlim>
<chart:Annotator ItemsSource="{Binding Spectrum}"
<chart:Annotator ItemsSource="{Binding Path=SpectrumLabel}"
HorizontalPropertyName="Mass"
VerticalPropertyName="Intensity"
Overlap="Direct, Horizontal"
OrderingPropertyName="Intensity"
LabelPropertyName="Mass"
LabelPropertyName="{Binding Path=DataContext.LabelProperty.Value, FallbackValue=Mass,
RelativeSource={RelativeSource AncestorType=ItemsControl}}"
Format="N4"
TopN="10"
Brush="{Binding Path=(ItemsControl.AlternationIndex),
Expand Down Expand Up @@ -438,12 +439,13 @@
</ToolTip>
</chart:LineSpectrumControlSlim.ToolTip>
</chart:LineSpectrumControlSlim>
<chart:Annotator ItemsSource="{Binding Spectrum}"
<chart:Annotator ItemsSource="{Binding Path=SpectrumLabel}"
HorizontalPropertyName="Mass"
VerticalPropertyName="Intensity"
Overlap="Direct, Horizontal"
OrderingPropertyName="Intensity"
LabelPropertyName="Mass"
LabelPropertyName="{Binding Path=DataContext.LabelProperty.Value, FallbackValue=Mass,
RelativeSource={RelativeSource AncestorType=ItemsControl}}"
Format="N4"
TopN="10"
Brush="{Binding Path=(ItemsControl.AlternationIndex),
Expand Down Expand Up @@ -854,6 +856,14 @@
<TextBlock Text="Lower label:" Margin="0,0,4,0" Foreground="White" VerticalAlignment="Center"/>
<CheckBox IsChecked="{Binding LowerSpectrumsViewModel.IsLabelVisible.Value}" VerticalAlignment="Center"/>
</StackPanel>
<StackPanel Orientation="Horizontal" Margin="8,0">
<TextBlock Text="Label type:" Margin="0,0,4,0" Foreground="White" VerticalAlignment="Center"/>
<ComboBox SelectedValuePath="Tag" SelectedIndex="0"
SelectedValue="{Binding Path=LabelProperty.Value, Mode=OneWayToSource}">
<ComboBoxItem Content="m/z" Tag="Mass"/>
<ComboBoxItem Content="NL" Tag="NeutralLoss"/>
</ComboBox>
</StackPanel>
</StackPanel>
<ContentControl Style="{StaticResource ViewChartStyle}"
Content="{Binding}"
Expand Down
4 changes: 4 additions & 0 deletions src/MSDIAL5/SpectrumViewer/ViewModel/SplitSpectrumsViewModel.cs
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Expand Up @@ -104,6 +104,8 @@ IEnumerable<Color> cycle() {
RemoveScanCommand = new ReactiveCommand()
.WithSubscribe(model.RemoveScan)
.AddTo(Disposables);

LabelProperty = new ReactiveProperty<string>(string.Empty).AddTo(Disposables);
}

public SplitSpectrumsModel Model { get; }
Expand Down Expand Up @@ -131,5 +133,7 @@ public void AddScan(IMSScanProperty scan) {
public ReactiveCommand ShiftScanCommand { get; }

public ReactiveCommand RemoveScanCommand { get; }

public ReactiveProperty<string> LabelProperty { get; }
}
}
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