smith-chem-wisc / MetaMorpheus

Proteomics search software with integrated calibration, PTM discovery, bottom-up, top-down and LFQ capabilities
MIT License
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Protein Inference for Glyco Search (1/2) #2232

Closed trishorts closed 1 year ago

trishorts commented 1 year ago

Previously, there was no protein inference for glyco search. This PR adds protein inference for the complete dataset. This PR DOES NOT have the option of writing the individual file results. That will be done in part two. I broke this down to simplify implementation and review. Once this PR is integrated, I will work on part two. After we can do both full set and individual file results I will move to LFQ.

Changes were made to: GlycoSearchParamters PostGlycoSearchAnalysisParameters PostGlycoSearchAnalysisTask.

codecov[bot] commented 1 year ago

Codecov Report

Merging #2232 (af96b0d) into master (57235d4) will increase coverage by 0.29%. The diff coverage is 94.21%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master    #2232      +/-   ##
==========================================
+ Coverage   91.15%   91.44%   +0.29%     
==========================================
  Files         133      134       +1     
  Lines       20068    20167      +99     
  Branches     2798     2809      +11     
==========================================
+ Hits        18292    18441     +149     
+ Misses       1280     1237      -43     
+ Partials      496      489       -7     
Impacted Files Coverage Δ
...yer/GlycoSearchTask/PostGlycoSearchAnalysisTask.cs 80.00% <90.66%> (+15.48%) :arrow_up:
EngineLayer/ProteinParsimony/ProteinGroup.cs 94.29% <100.00%> (ø)
TaskLayer/GlycoSearchTask/GlycoSearchParameters.cs 100.00% <100.00%> (ø)
TaskLayer/GlycoSearchTask/GlycoSearchTask.cs 92.54% <100.00%> (+0.93%) :arrow_up:
...ycoSearchTask/PostGlycoSearchAnalysisParameters.cs 100.00% <100.00%> (ø)
TaskLayer/XLSearchTask/WriteFile.cs 96.61% <0.00%> (+0.67%) :arrow_up:
EngineLayer/GlycoSearch/GlycoSpectralMatch.cs 95.01% <0.00%> (+4.03%) :arrow_up:
EngineLayer/GlycoSearch/GlycoSearchEngine.cs 81.68% <0.00%> (+6.03%) :arrow_up:
TaskLayer/GlycoSearchTask/GlycoProteinParsimony.cs 76.36% <0.00%> (+7.27%) :arrow_up:
Alexander-Sol commented 1 year ago

The appveyor build didn't fail, but it was taking longer than usual. I manually cancelled it in order to start builds related to installer issues

lonelu commented 1 year ago

I try to run a task in GUI. Some default values are not auto selected in GUI->GlycoSearchTaskWindow, such as O-Glycan Database. And Protein Parsimony is not selectable.

lonelu commented 1 year ago

image It seems like one cannot select the 2nd checkbox 'Require at least two peptides...' or 3rd checkbox 'Treat modified peptides..' Also if unselect 1st checkbox 'Apply protein parsimony...', I cannot select it again.