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Transcriptomics Digestion and Fragmentation #801

Merged
merged 19 commits into from
Oct 15, 2024

Commits on Sep 19, 2024

  1. Added in base classes

    nbollis committed Sep 19, 2024
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  2. Implemented all tests

    nbollis committed Sep 19, 2024
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  3. Made initial tests pass

    nbollis committed Sep 19, 2024
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Commits on Sep 20, 2024

  1. Expanded test coverage

    nbollis committed Sep 20, 2024
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Commits on Sep 24, 2024

  1. Responded to Alex Comments

    Nic Bollis committed Sep 24, 2024
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  2. Add RNA support: loading, parsing, and decoy generation

    Introduced support for handling RNA data within the UsefulProteomicsDatabases project. Key changes include:
    
    - Added `Transcriptomics\TestData` folder to `Test.csproj`.
    - Changed access modifiers in `ProteinDbLoader.cs` to internal.
    - Added `using` directives for `Transcriptomics` in `ProteinXmlEntry.cs`.
    - Introduced methods `ParseRnaEndElement` and `ParseRnaEntryEndElement` in `ProteinXmlEntry.cs`.
    - Modified `ParseAnnotatedMods` to check for RNA modifications.
    - Added project reference to `Transcriptomics.csproj` in `UsefulProteomicsDatabases.csproj`.
    - Added `ClassExtensions.cs` with `CreateNew` method for nucleic acids.
    - Added `RnaDbLoader.cs` for RNA database loading.
    - Added `RnaDecoyGenerator.cs` for generating decoy RNA sequences.
    Nic Bollis committed Sep 24, 2024
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  3. Add new properties and caching to oligo digestion

    Updated `using` directives in `TestDigestion.cs` and `OligoWithSetMods.cs` to include necessary namespaces. Added assertions in `TestDigestion.cs` for `SequenceWithChemicalFormulas` and `FullSequenceWithMassShift`. Changed `namespace` in `OligoWithSetMods.cs` to `Transcriptomics.Digestion`. Implemented and cached `SequenceWithChemicalFormulas` property in `OligoWithSetMods.cs`.
    Nic Bollis committed Sep 24, 2024
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  4. Add RNA sequence and database handling and related test cases

    - Added new files `ModomicsUnmodifiedTrimmed.fasta` and `ModomicsUnmodifiedTrimmed.fasta.gz` to `Test.csproj` with `CopyToOutputDirectory` set to `PreserveNewest`.
    - Removed the `Transcriptomics\TestData` folder from `Test.csproj`.
    - Introduced `Transcribe` method in `ClassExtensions.cs` for DNA to RNA transcription.
    - Added summary comment to `NucleolyticOligo` class in `NucleolyticOligo.cs`.
    - Added `ApplyRegex` method in `FastaHeaderFieldRegex.cs`.
    - Introduced `ProteinDbWriter` class in `ProteinDbWriter.cs` for writing protein and nucleic acid databases.
    - Modified `GetModsForThisProtein` to `GetModsForThisBioPolymer` in `ProteinDbWriter.cs`.
    - Added `RnaDbLoader` class in `RnaDbLoader.cs` for RNA FASTA header detection and sequence loading.
    - Updated user dictionary in `mzLib.sln.DotSettings` with new terms.
    - Added test cases in `TestDbLoader.cs` for RNA database loading and header detection.
    - Introduced `TestDecoyGeneration` class in `TestDecoyGenerator.cs` for RNA decoy generation tests.
    - Added RNA sequence file `ModomicsUnmodifiedTrimmed.fasta` and its compressed version.
    Nic Bollis committed Sep 24, 2024
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  5. Refactor and enhance RNA and oligo handling in tests

    - Added `using` directives for `Transcriptomics.Digestion` and `UsefulProteomicsDatabases.Transcriptomics` in `TestDecoyGenerator.cs`.
    - Introduced `TestCreateNew` in `TestDecoyGenerator.cs` to verify RNA and oligo creation.
    - Added `using` directive for `MzLibUtil` in `TestDigestion.cs`.
    - Added a test in `TestDigestion.cs` for exception handling with invalid sequences.
    - Added `using` directives for `Omics` and related namespaces in `TestFragmentation.cs`.
    - Modified `TestFragmentation_Modified` in `TestFragmentation.cs` to use `OligoWithSetMods` directly and added assertions.
    - Updated `ClassExtensions.cs` to allow setting `isDecoy` in new `RNA` objects.
    - Refactored `OligoWithSetMods.cs` to return a dictionary from `GetModsAfterDeserialization`.
    - Updated `OligoWithSetMods.cs` to initialize `_allModsOneIsNterminus` using the returned dictionary.
    Nic Bollis committed Sep 24, 2024
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Commits on Sep 25, 2024

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Commits on Sep 27, 2024

  1. Update ProteinXmlEntry.cs

    nbollis authored Sep 27, 2024
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  2. Added gene name to RNA constructore

    Nic Bollis committed Sep 27, 2024
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  3. Added gene name to RNA constructore

    Nic Bollis committed Sep 27, 2024
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  4. Merge branch 'RnaImplementation' of https://github.com/nbollis/mzLib

    …into RnaImplementation
    Nic Bollis committed Sep 27, 2024
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Commits on Oct 1, 2024

  1. Refactor and enhance exception handling and tests

    Refactored constructors, improved exception handling, and added comprehensive tests across multiple files. Key changes include:
    
    - `MzLibException.cs`: Updated constructor to include `innerException`.
    - `TestDecoyGenerator.cs`: Added assertions for `CreateNew` method.
    - `TestDigestion.cs`: Added assertions and new test for RNA digestion exception.
    - Refactored modification lists and added various tests for modifications.
    - `TestNucleicAcid.cs`: Refactored methods, adjusted precision, and updated terminus assignments.
    - `NucleolyticOligo.cs`: Changed parameter types, updated comments, and improved variable names.
    - `OligoWithSetMods.cs`: Enhanced exception messages and updated modification location checks.
    - `NucleicAcid.cs`: Added `using` directive, changed exception type, and refactored methods.
    - `mzLib.sln.DotSettings`: Updated user dictionary entries.
    nbollis committed Oct 1, 2024
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  2. Merge branch 'RnaImplementation' of https://github.com/nbollis/mzLib

    …into RnaImplementation
    nbollis committed Oct 1, 2024
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Commits on Oct 2, 2024

  1. Add test data files and methods for RNA sequence handling

    Added new test data files (`20mer1.fasta`, `20mer1.fasta.gz`, `20mer1.xml`, `20mer1.xml.gz`) to the `Transcriptomics\TestData` directory in the `Test.csproj` file, ensuring they are copied to the output directory. Introduced `TestDbReadingDifferentExtensions` in `TestDbLoader.cs` to verify RNA database reading from various formats. Added `TestDigestionMaxIsoforms` in `TestDigestion.cs` to test RNA sequence digestion with max isoforms. Updated `WriteNucleicAcidXmlDatabase` in `ProteinDbWriter.cs` with remarks for future implementation. Added a TODO in `RnaDecoyGenerator.cs` regarding palindromic sequences' impact on fragment ions. Included new RNA sequence data in test files for validation.
    nbollis committed Oct 2, 2024
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Commits on Oct 8, 2024

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