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Direct binding of MS-FINDER added (#444)
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* Add MolecularFormulaFinder test

* Add FormulaSearchQuery

* Add InternalMsfinderSettingModel class

* Add InternalMsfinderSettingView class

* Add InternalMsfinderSettingViewModel class

* Add IAdductIonSettingModel interface

* Add FormulaFinderAdductIonSettingModel class

* Add FormulaFinderAdductIonSettingViewModel class

* Add a button to MainWindow to show InternalMsfinderSettingView

* Add CCS setting to IntrenalMsfinderSettingView.xaml

* Add src/Common/CommonStandard/StructureFinder/*

* Add ClassfireProtocol.cs

* Add PubRestProtocol.cs

* Add Newtonsoft.Json packagereference to CommonStandard.csproj

* Modify FormulaResultParcer.cs

* Modify FormulaFinderAdductIonSettingModel

* Add FormulaFinderAdductIonSettingView

* Add FilePath property to AlignmentFileBeanModel

* Add MsfinderQueryFile class

* Modify InternalMsfinderSettingModel constructor

* Add Cancel method to InternalMsfinderSettingModel

* Modify MainWindowModel, MainWindowVM and MainWindow.xaml.cs

* Add call site of InternalMsfinderSettingModel constructor to LcmsMethodModel constructor

* Modify RT and CCS settings of InternalMsfinderSettingView

* Add call site of the InternalMsfinderSettingViewModel constructor to LcmsMethodViewModel constructor

* Add StructureFinderBatchProcess class

* Add Process method to InternalMsfinderSettingModel

* Add Run and Cancel commands to InternalMsfinderSettingViewModel

* Add Run and Cancel buttons to InternalMsfinderSettingView

* Add a button to show InternalMsfinderSettingView to LcmsRibbon.xaml

* Added MSFINDER files

* Deleted one of two msfinder button

* Deleted test button of msfinder

* Cleaned space

* Added InternalMsfinderModel/ViewModel to the InternalMsfinderSettingModel/ViewModel

* Updated InternalMsfinder files (binding of metabolite list and metadata)

* Added selected metabolite changes

* Updated MsfinderView

* Updated QueryFiles of MsfinderSettingModel

* Changed QueryFiles of Msfinder

* Changed Msfinder item source to .mat files of MsfinderSetting export

* Added spectrum info

* Added MS spectrum view into the Msfinder

* Added Collision energy

* Added Formula file reader

* Made simpler formula list valence checker

* Added find formula

* Updated file url of MsdialGuiApp

* Cleared unused rows

* Added structure finder function

* Added single spot MS-FINDER

* Updated binding of Msfinder single spot search

* Added direct single search of structure finder

* Updated structure search function

* Updated metadata of msfinder

* Added structure image of selected one

* Added msfinder radio buttons

* Updated msfinder naming and minor changes

* WIP

* Clean up

* Add AxisRange.Union static method

* Changed MsSpectrumModel (ms2 vs ref)

* Changed defualt option of spectrum viewer

* Updated substructure viewer of Msfinder

* Added fsea result view

* Fsea viewer update

* Code clean up

* Updated around the function of reflecting to msdial

* Code clean up and small changes

* Fix MolecularFormulaFinderTests

* Add Msfinder datasource

* Update MoleculeMsReferenceCollection

* Add MsfinderSearcherFactory

* Use MsfinderSearcherFactory

* Fix identification setting for msfinder database

* Update MainWindow.xaml.cs

* Update DatasetModel.Method property

---------

Co-authored-by: kanakohirata <[email protected]>
Co-authored-by: Yuki Matsuzawa <[email protected]>
Co-authored-by: Bujinlkham BUYANTOGTOKH <[email protected]>
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@Bujee415 @kanakohirata @YukiMatsuzawa
4 people authored Nov 13, 2024
1 parent 6f69893 commit f636699
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12 changes: 6 additions & 6 deletions MsdialWorkbench.sln
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Expand Up @@ -174,7 +174,7 @@ Project("{9A19103F-16F7-4668-BE54-9A1E7A4F7556}") = "CommonSourceGeneratorTests"
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Project("{9A19103F-16F7-4668-BE54-9A1E7A4F7556}") = "CommonStandardBenchmark", "benchmark\CompMs\CommonStandardBenchmark\CommonStandardBenchmark.csproj", "{B1A4AFD3-ACF3-48B7-A55C-E37E082FEEBD}"
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Project("{2150E333-8FDC-42A3-9474-1A3956D46DE8}") = "docs", "docs", "{DC2AD876-69E5-4D56-AD01-A871FA14CF04}"
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Expand Down Expand Up @@ -787,8 +787,8 @@ Global
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{7976AEFC-8382-47D3-BA50-55FA18BABADF}.Debug with args|x64.Build.0 = Debug|Any CPU
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{7976AEFC-8382-47D3-BA50-55FA18BABADF}.Debug|Any CPU.Build.0 = Release|Any CPU
{7976AEFC-8382-47D3-BA50-55FA18BABADF}.Debug|Any CPU.ActiveCfg = Debug|Any CPU
{7976AEFC-8382-47D3-BA50-55FA18BABADF}.Debug|Any CPU.Build.0 = Debug|Any CPU
{7976AEFC-8382-47D3-BA50-55FA18BABADF}.Debug|x64.ActiveCfg = Debug|Any CPU
{7976AEFC-8382-47D3-BA50-55FA18BABADF}.Debug|x64.Build.0 = Debug|Any CPU
{7976AEFC-8382-47D3-BA50-55FA18BABADF}.Release vendor unsupported|Any CPU.ActiveCfg = Release|Any CPU
Expand All @@ -807,8 +807,8 @@ Global
{20E728F8-C648-4F96-AE56-B7A7A185D941}.Debug with args|Any CPU.Build.0 = Debug|Any CPU
{20E728F8-C648-4F96-AE56-B7A7A185D941}.Debug with args|x64.ActiveCfg = Debug|Any CPU
{20E728F8-C648-4F96-AE56-B7A7A185D941}.Debug with args|x64.Build.0 = Debug|Any CPU
{20E728F8-C648-4F96-AE56-B7A7A185D941}.Debug|Any CPU.ActiveCfg = Release|Any CPU
{20E728F8-C648-4F96-AE56-B7A7A185D941}.Debug|Any CPU.Build.0 = Release|Any CPU
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{20E728F8-C648-4F96-AE56-B7A7A185D941}.Debug|Any CPU.Build.0 = Debug|Any CPU
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{20E728F8-C648-4F96-AE56-B7A7A185D941}.Release vendor unsupported|Any CPU.ActiveCfg = Release|Any CPU
Expand Down Expand Up @@ -1844,7 +1844,7 @@ Global
{B1A4AFD3-ACF3-48B7-A55C-E37E082FEEBD} = {26C4466E-49D5-404B-8777-8A92DDBBC35D}
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11 changes: 10 additions & 1 deletion src/Common/ChartDrawing/Base/AxisRange.cs
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Expand Up @@ -43,12 +43,21 @@ public AxisRange Intersect(AxisRange other) {
}

public AxisRange Union(AxisRange? other) {
if (other == null) {
if (other is null) {
return this;
}
return new AxisRange(Math.Min(Minimum.Value, other.Minimum.Value), Math.Max(Maximum.Value, other.Maximum.Value));
}

public static AxisRange? Union(AxisRange? lhs, AxisRange? rhs)
{
if (lhs is null)
{
return rhs;
}
return lhs.Union(rhs);
}

public static AxisRange operator +(AxisRange range, AxisValue value) => new(range.Minimum.Value + value.Value, range.Maximum.Value + value.Value);
public static AxisRange operator -(AxisRange range, AxisValue value) => new(range.Minimum.Value - value.Value, range.Maximum.Value - value.Value);
public static AxisRange operator *(AxisRange range, double value) => new(range.Minimum * value, range.Maximum * value);
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2 changes: 1 addition & 1 deletion src/Common/CommonMVVM/Common/DisposableModelBase.cs
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Expand Up @@ -7,7 +7,7 @@ public class DisposableModelBase : BindableBase, IDisposable
{
protected DisposableCollection Disposables { get; } = new DisposableCollection();

private bool disposedValue;
protected bool disposedValue;

protected virtual void Dispose(bool disposing) {
if (!disposedValue) {
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