search

smith-chem-wisc / mzLib

Library for mass spectrometry projects
GNU Lesser General Public License v3.0
26 stars 33 forks source link

Allow multiple custom fragmentations #780

Closed nbollis closed 5 months ago

nbollis commented 5 months ago

Mzlib was hardcoded to save the product types from the first time the DissociationType.Custom was called. This functionality will not allow for two file specific parameters to be searched with two different sets of custom ions in MetaMorpheus. This PR changes the dictionary in which those get stored to determine the product types dynamically for DissociationType.Custom but retain the static implementation for all other dissociation types.

codecov[bot] commented 5 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 75.23%. Comparing base (5b51d2e) to head (ce6b1be).

Additional details and impacted files [![Impacted file tree graph](https://app.codecov.io/gh/smith-chem-wisc/mzLib/pull/780/graphs/tree.svg?width=650&height=150&src=pr&token=1lXMC2BqYG&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=smith-chem-wisc)](https://app.codecov.io/gh/smith-chem-wisc/mzLib/pull/780?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=smith-chem-wisc) ```diff @@ Coverage Diff @@ ## master #780 +/- ## ========================================== + Coverage 75.22% 75.23% +0.01% ========================================== Files 195 195 Lines 30442 30455 +13 Branches 3051 3053 +2 ========================================== + Hits 22900 22913 +13 Misses 7027 7027 Partials 515 515 ``` | [Files](https://app.codecov.io/gh/smith-chem-wisc/mzLib/pull/780?dropdown=coverage&src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=smith-chem-wisc) | Coverage Δ | | |---|---|---| | [...ragmentation/Peptide/DissociationTypeCollection.cs](https://app.codecov.io/gh/smith-chem-wisc/mzLib/pull/780?src=pr&el=tree&filepath=mzLib%2FOmics%2FFragmentation%2FPeptide%2FDissociationTypeCollection.cs&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=smith-chem-wisc#diff-bXpMaWIvT21pY3MvRnJhZ21lbnRhdGlvbi9QZXB0aWRlL0Rpc3NvY2lhdGlvblR5cGVDb2xsZWN0aW9uLmNz) | `98.12% <100.00%> (+0.16%)` | :arrow_up: | | [...gmentation/Peptide/TerminusSpecificProductTypes.cs](https://app.codecov.io/gh/smith-chem-wisc/mzLib/pull/780?src=pr&el=tree&filepath=mzLib%2FOmics%2FFragmentation%2FPeptide%2FTerminusSpecificProductTypes.cs&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=smith-chem-wisc#diff-bXpMaWIvT21pY3MvRnJhZ21lbnRhdGlvbi9QZXB0aWRlL1Rlcm1pbnVzU3BlY2lmaWNQcm9kdWN0VHlwZXMuY3M=) | `100.00% <ø> (ø)` | |