deleted msrefmatch parameter for gcms alignmemt process#711
Merged
Conversation
Contributor
There was a problem hiding this comment.
Pull request overview
This PR removes the MsRefSearchParameterBase (“msrefmatch”) argument from the GC-MS alignment peak-joining API and updates the GC-MS alignment process factory accordingly.
Changes:
- Removed
MsRefSearchParameterBase msMatchParamfromGcmsPeakJoiner.CreateRTJoiner/CreateRIJoinerand the related joiner constructors. - Updated
GcmsAlignmentProcessFactory.CreatePeakJoiner()to call the newGcmsPeakJoinerfactory method signatures.
Reviewed changes
Copilot reviewed 2 out of 2 changed files in this pull request and generated no comments.
| File | Description |
|---|---|
| src/MSDIAL5/MsdialGcMsApi/Algorithm/Alignment/GcmsPeakJoiner.cs | Removes msMatchParam from factory/constructors and adjusts joiner construction accordingly. |
| src/MSDIAL5/MsdialGcMsApi/Algorithm/Alignment/GcmsAlignmentProcessFactory.cs | Stops passing GcmsParameter.MspSearchParam into the peak joiner creation. |
Comments suppressed due to low confidence (1)
src/MSDIAL5/MsdialGcMsApi/Algorithm/Alignment/GcmsPeakJoiner.cs:49
- After removing
msMatchParamfrom the factory/constructors, the joiner now always initializes_msMatchParamwith hard-coded tolerances (0.5F, mass range 0–2000). This means GC-MS alignment similarity (CompareEIMSScanProperties) no longer respects the user/configuredMsdialGcmsParameter.MspSearchParamvalues that were previously passed in, which can change alignment behavior unexpectedly. Consider wiring_msMatchParamto the parameter’s search settings (e.g., copyparameter.MspSearchParam) or otherwise making the new fixed defaults explicit via the API/config.
_comparer = comparer;
_alignmentParameter = parameter.AlignmentBaseParam;
_riCompoundType = riCompoundType;
_msMatchParam = new MsRefSearchParameterBase() { Ms1Tolerance = 0.5F, Ms2Tolerance = 0.5F, MassRangeBegin = 0, MassRangeEnd = 2000 };
_parameter = parameter;
💡 Add Copilot custom instructions for smarter, more guided reviews. Learn how to get started.
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
No description provided.