From a553d8bb487482c86ef5108831406f8d17b82523 Mon Sep 17 00:00:00 2001 From: jorainer Date: Wed, 8 May 2024 14:37:11 +0200 Subject: [PATCH] fix: ensure dropFeatureDefinitions correctly drops filled peaks --- .github/workflows/check-bioc.yml | 6 +++--- DESCRIPTION | 2 +- NEWS.md | 8 ++++++++ R/XcmsExperiment.R | 5 ++--- 4 files changed, 14 insertions(+), 7 deletions(-) diff --git a/.github/workflows/check-bioc.yml b/.github/workflows/check-bioc.yml index 6372778e9..3681b8159 100644 --- a/.github/workflows/check-bioc.yml +++ b/.github/workflows/check-bioc.yml @@ -53,9 +53,9 @@ jobs: fail-fast: false matrix: config: - - { os: ubuntu-latest, r: 'devel', bioc: 'devel', cont: "bioconductor/bioconductor_docker:devel", rspm: "https://packagemanager.rstudio.com/cran/__linux__/focal/latest" } - - { os: macOS-latest, r: 'next', bioc: '3.19'} - - { os: windows-latest, r: 'next', bioc: '3.19'} + - { os: ubuntu-latest, r: '4.4', bioc: '3.19', cont: "bioconductor/bioconductor_docker:RELEASE_3_19", rspm: "https://packagemanager.rstudio.com/cran/__linux__/focal/latest" } + - { os: macOS-latest, r: '4.4', bioc: '3.19'} + - { os: windows-latest, r: '4.4', bioc: '3.19'} env: R_REMOTES_NO_ERRORS_FROM_WARNINGS: true RSPM: ${{ matrix.config.rspm }} diff --git a/DESCRIPTION b/DESCRIPTION index 516e14be3..f435def08 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -1,5 +1,5 @@ Package: xcms -Version: 4.2.0 +Version: 4.2.1 Title: LC-MS and GC-MS Data Analysis Description: Framework for processing and visualization of chromatographically separated and single-spectra mass spectral data. Imports from AIA/ANDI NetCDF, diff --git a/NEWS.md b/NEWS.md index 3b183a3c2..b8090dde3 100644 --- a/NEWS.md +++ b/NEWS.md @@ -1,3 +1,11 @@ +# xcms 4.2 + +## Changes in version 4.2.1 + +- Fix in `dropFeatureDefinitions()` that was not correctly removing additional + metadata from gap-filled chromatographic peaks. + + # xcms 4.1 ## Changes in version 4.1.13 diff --git a/R/XcmsExperiment.R b/R/XcmsExperiment.R index 1c86f0496..aff6d3acd 100644 --- a/R/XcmsExperiment.R +++ b/R/XcmsExperiment.R @@ -1553,9 +1553,8 @@ setMethod( object@processHistory, type = .PROCSTEP.PEAK.GROUPING, num = 1L) object@featureDefinitions <- .empty_feature_definitions() if (.hasFilledPeaks(object)) { - object@chromPeaks <- object@chromPeaks[ - !object@chromPeakData$is_filled, , - drop = FALSE] + object <- .filter_chrom_peaks( + object, which(!.chromPeakData(object)$is_filled)) object@processHistory <- dropProcessHistoriesList( object@processHistory, type = .PROCSTEP.PEAK.FILLING) }