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moved fragmentation and library spectrum to new project Omics
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trishorts committed Nov 8, 2023
1 parent 74b80ad commit d1bc75c
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Showing 29 changed files with 168 additions and 50 deletions.
7 changes: 7 additions & 0 deletions mzLib/Omics/Class1.cs
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namespace Omics
{
public class Class1
{

}
}
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using Chemistry;
using Easy.Common.Extensions;
using MassSpectrometry;
using System.Collections.Generic;
using System.Linq;

namespace Proteomics.Fragmentation
namespace Omics.Fragmentation
{
public class DissociationTypeCollection
{
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namespace Proteomics.Fragmentation
namespace Omics.Fragmentation
{
public enum FragmentationTerminus
{
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using Chemistry;
using System.Text;
using System.Text;
using Chemistry;

namespace Proteomics.Fragmentation
namespace Omics.Fragmentation
{
public class MatchedFragmentIon
{
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using System;
using System.Text;
using System.Text;

namespace Proteomics.Fragmentation
namespace Omics.Fragmentation
{
public struct Product
{
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using System.Collections.Generic;

namespace Proteomics.Fragmentation
namespace Omics.Fragmentation
{
public enum ProductType
{
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using System;
using System.Collections.Generic;
using System.Text;

namespace Proteomics.Fragmentation
namespace Omics.Fragmentation
{
public class TerminusSpecificProductTypes
{
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using Easy.Common.Extensions;
using System.Text;
using Easy.Common.Extensions;
using MassSpectrometry.MzSpectra;
using Proteomics.Fragmentation;
using System;
using System.Collections.Generic;
using System.Linq;
using System.Text;
using Omics.Fragmentation;

namespace Proteomics.PSM
namespace Omics
{
public class LibrarySpectrum
{
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15 changes: 15 additions & 0 deletions mzLib/Omics/Omics.csproj
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<Project Sdk="Microsoft.NET.Sdk">

<PropertyGroup>
<TargetFramework>net6.0</TargetFramework>
<ImplicitUsings>enable</ImplicitUsings>
<Nullable>enable</Nullable>
</PropertyGroup>

<ItemGroup>
<ProjectReference Include="..\Chemistry\Chemistry.csproj" />
<ProjectReference Include="..\MassSpectrometry\MassSpectrometry.csproj" />
<ProjectReference Include="..\MzLibUtil\MzLibUtil.csproj" />
</ItemGroup>

</Project>
3 changes: 2 additions & 1 deletion mzLib/Proteomics/PSM/PsmFromTsv.cs
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using Chemistry;
using Easy.Common.Extensions;
using Proteomics.Fragmentation;
using System;
using System.Collections.Generic;
using System.Globalization;
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using System.Text;
using System.Text.RegularExpressions;
using System.Threading.Tasks;
using Omics.Fragmentation;
using Omics;

namespace Proteomics.PSM
{
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4 changes: 2 additions & 2 deletions mzLib/Proteomics/Protein/Protein.cs
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using Proteomics.Fragmentation;
using Proteomics.ProteolyticDigestion;
using Proteomics.ProteolyticDigestion;
using System;
using System.Collections.Generic;
using System.Linq;
using System.Text.RegularExpressions;
using Omics.Fragmentation;

namespace Proteomics
{
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4 changes: 2 additions & 2 deletions mzLib/Proteomics/ProteolyticDigestion/DigestionParams.cs
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using Proteomics.Fragmentation;
using System;
using System;
using Omics.Fragmentation;

namespace Proteomics.ProteolyticDigestion
{
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 using Chemistry;
using MassSpectrometry;
using Proteomics.AminoAcidPolymer;
using Proteomics.Fragmentation;
using System;
using System;
using System.Collections.Generic;
using System.Linq;
using System.Text;
using Omics.Fragmentation;

namespace Proteomics.ProteolyticDigestion
namespace Proteomics.ProteolyticDigestion
{
[Serializable]
public class PeptideWithSetModifications : ProteolyticPeptide
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4 changes: 2 additions & 2 deletions mzLib/Proteomics/ProteolyticDigestion/ProductTypeMethods.cs
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using Proteomics.Fragmentation;
using System;
using System;
using System.Collections.Generic;
using Omics.Fragmentation;

namespace Proteomics.ProteolyticDigestion
{
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using System.IO;
using System.Linq;
using MzLibUtil;
using Proteomics.Fragmentation;

namespace Proteomics.ProteolyticDigestion
{
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2 changes: 1 addition & 1 deletion mzLib/Proteomics/ProteolyticDigestion/ProteinDigestion.cs
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using System.Collections.Generic;
using System.Linq;
using Proteomics.Fragmentation;
using Omics.Fragmentation;

namespace Proteomics.ProteolyticDigestion
{
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1 change: 1 addition & 0 deletions mzLib/Proteomics/Proteomics.csproj
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<ProjectReference Include="..\Chemistry\Chemistry.csproj" />
<ProjectReference Include="..\MassSpectrometry\MassSpectrometry.csproj" />
<ProjectReference Include="..\MzLibUtil\MzLibUtil.csproj" />
<ProjectReference Include="..\Omics\Omics.csproj" />
<ProjectReference Include="..\PepXML\PepXML.csproj" />
</ItemGroup>

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2 changes: 1 addition & 1 deletion mzLib/Test/DatabaseTests/TestProteomicsReadWrite.cs
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using System.Linq;
using MassSpectrometry;
using NUnit.Framework;
using Omics.Fragmentation;
using Proteomics;
using Proteomics.Fragmentation;
using Proteomics.ProteolyticDigestion;
using UsefulProteomicsDatabases;
using Stopwatch = System.Diagnostics.Stopwatch;
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1 change: 1 addition & 0 deletions mzLib/Test/Test.csproj
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<ProjectReference Include="..\FlashLFQ\FlashLFQ.csproj" />
<ProjectReference Include="..\MassSpectrometry\MassSpectrometry.csproj" />
<ProjectReference Include="..\MzIdentML\MzIdentML.csproj" />
<ProjectReference Include="..\Omics\Omics.csproj" />
<ProjectReference Include="..\SpectralAveraging\SpectralAveraging.csproj" />
<ProjectReference Include="..\MzLibUtil\MzLibUtil.csproj" />
<ProjectReference Include="..\mzPlot\mzPlot.csproj" />
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4 changes: 2 additions & 2 deletions mzLib/Test/TestDigestionMotif.cs
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//check that there are no duplicates
Assert.IsTrue(pwsms.Count == hashset.Count);
//Speedy semi specific test
DigestionParams speedySemiN = new DigestionParams("trypsin", 10, 29, 30, 1024, InitiatorMethionineBehavior.Retain, 2, CleavageSpecificity.Semi, Proteomics.Fragmentation.FragmentationTerminus.N);
DigestionParams speedySemiC = new DigestionParams("trypsin", 10, 29, 30, 1024, InitiatorMethionineBehavior.Retain, 2, CleavageSpecificity.Semi, Proteomics.Fragmentation.FragmentationTerminus.C);
DigestionParams speedySemiN = new DigestionParams("trypsin", 10, 29, 30, 1024, InitiatorMethionineBehavior.Retain, 2, CleavageSpecificity.Semi, Omics.Fragmentation.FragmentationTerminus.N);
DigestionParams speedySemiC = new DigestionParams("trypsin", 10, 29, 30, 1024, InitiatorMethionineBehavior.Retain, 2, CleavageSpecificity.Semi, Omics.Fragmentation.FragmentationTerminus.C);
List<PeptideWithSetModifications> pwsmsN = humanInsulin.Digest(speedySemiN, null, null).ToList();
List<PeptideWithSetModifications> pwsmsC = humanInsulin.Digest(speedySemiC, null, null).ToList();
Assert.IsTrue(pwsmsN.Count == 7);
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3 changes: 1 addition & 2 deletions mzLib/Test/TestFragments.cs
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using NUnit.Framework;
using Proteomics;
using Proteomics.AminoAcidPolymer;
using Proteomics.Fragmentation;
using Proteomics.ProteolyticDigestion;
using System;
using System.Collections.Generic;
using System.Linq;

using Omics.Fragmentation;
using Stopwatch = System.Diagnostics.Stopwatch;

namespace Test
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3 changes: 2 additions & 1 deletion mzLib/Test/TestLibrarySpectrum.cs
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using NUnit.Framework;
using Proteomics.Fragmentation;
using Proteomics.PSM;
using System;
using System.Collections.Generic;
using System.Linq;
using System.Text;
using System.Threading.Tasks;
using Omics;
using Omics.Fragmentation;

namespace Test
{
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2 changes: 1 addition & 1 deletion mzLib/Test/TestModifications.cs
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using NUnit.Framework;
using Proteomics;
using Proteomics.AminoAcidPolymer;
using Proteomics.Fragmentation;
using Proteomics.ProteolyticDigestion;
using System;
using System.Collections;
using System.Collections.Generic;
using System.Linq;
using Omics.Fragmentation;
using UsefulProteomicsDatabases;
using Stopwatch = System.Diagnostics.Stopwatch;

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2 changes: 1 addition & 1 deletion mzLib/Test/TestPeptideWithSetMods.cs
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using Chemistry;
using NUnit.Framework;
using Proteomics;
using Proteomics.Fragmentation;
using Proteomics.ProteolyticDigestion;
using System;
using System.Collections.Generic;
using System.IO;
using System.Linq;
using Omics.Fragmentation;
using UsefulProteomicsDatabases;
using Stopwatch = System.Diagnostics.Stopwatch;

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2 changes: 1 addition & 1 deletion mzLib/Test/TestPeptides.cs
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using MzLibUtil;
using NUnit.Framework;
using Proteomics.AminoAcidPolymer;
using Proteomics.Fragmentation;
using Proteomics.ProteolyticDigestion;
using System;
using System.Collections.Generic;
using System.Linq;
using Omics.Fragmentation;
using UsefulProteomicsDatabases;
using Stopwatch = System.Diagnostics.Stopwatch;

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2 changes: 1 addition & 1 deletion mzLib/Test/TestProductMassesMightHaveDuplicates.cs
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using MassSpectrometry;
using NUnit.Framework;
using Proteomics;
using Proteomics.Fragmentation;
using Proteomics.ProteolyticDigestion;
using System;
using System.Collections.Generic;
using System.Linq;
using Omics.Fragmentation;
using Stopwatch = System.Diagnostics.Stopwatch;

namespace Test
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2 changes: 1 addition & 1 deletion mzLib/Test/TestProteinDigestion.cs
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using NUnit.Framework;
using Proteomics;
using Proteomics.AminoAcidPolymer;
using Proteomics.Fragmentation;
using Proteomics.ProteolyticDigestion;
using System;
using System.Collections.Generic;
using System.IO;
using System.Linq;
using Omics.Fragmentation;
using UsefulProteomicsDatabases;
using static Chemistry.PeriodicTable;
using Stopwatch = System.Diagnostics.Stopwatch;
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2 changes: 1 addition & 1 deletion mzLib/Test/TestPsmFromTsv.cs
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using NUnit.Framework;
using Proteomics.Fragmentation;
using Proteomics.ProteolyticDigestion;
using Proteomics.PSM;
using System;
using System.Collections.Generic;
using System.IO;
using System.Linq;
using System.Text.RegularExpressions;
using Omics.Fragmentation;
using Proteomics;

namespace Test
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