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commit c37baa7
Author: jorainer <johannes.rainer@gmail.com>
Date:   Mon Mar 18 07:59:02 2024 +0100

    fix: update required Spectra version

commit 2faed90
Author: jorainer <johannes.rainer@gmail.com>
Date:   Fri Mar 15 14:58:39 2024 +0100

    fix: require ProtGenerics 1.35.4

commit 086999d
Author: jorainer <johannes.rainer@gmail.com>
Date:   Thu Mar 14 14:46:02 2024 +0100

    refactor: cleanup NAMESPACE and dependencies and documentation

    - Re-save data object.
    - Fix documentation and unit tests following the move of `MSnbase` from Depends
      to Imports.

commit 97d7d4c
Author: jorainer <johannes.rainer@gmail.com>
Date:   Thu Mar 14 13:54:53 2024 +0100

    docs: replace inst/NEWS with NEWS.md

commit a455e6b
Author: jorainer <johannes.rainer@gmail.com>
Date:   Wed Mar 13 09:54:18 2024 +0100

    refactor: clean up namespace

    - Remove not required packages.
    - Move packages from Depends to Imports.

commit 28e4ca7
Merge: 19b1b9a 90c30b8
Author: jorainer <johannes.rainer@gmail.com>
Date:   Fri Mar 8 16:09:04 2024 +0100

    Merge branch 'devel' into jomain

commit 19b1b9a
Author: jorainer <johannes.rainer@gmail.com>
Date:   Tue Feb 27 11:04:15 2024 +0100

    refactor: ensure backward compatibility of parameter objects

commit 40c09c0
Merge: 17b487f 48ac5e0
Author: jorainer <johannes.rainer@gmail.com>
Date:   Tue Feb 27 11:01:02 2024 +0100

    Merge branch 'devel' into jomain

commit 17b487f
Merge: c36018b 1cf7cda
Author: jorainer <johannes.rainer@gmail.com>
Date:   Mon Feb 5 14:49:22 2024 +0100

    Merge branch 'devel' into jomain

commit c36018b
Author: jorainer <johannes.rainer@gmail.com>
Date:   Thu Feb 1 15:43:19 2024 +0100

    fix: call updateObject for some Param classes in as.list
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philouail committed Mar 19, 2024
1 parent 5e84836 commit f1b1252
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22 changes: 10 additions & 12 deletions DESCRIPTION
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
Package: xcms
Version: 4.1.10
Version: 4.1.12
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,
Expand Down Expand Up @@ -43,30 +43,26 @@ Authors@R: c(
)
Depends:
R (>= 4.0.0),
BiocParallel (>= 1.8.0),
MSnbase (>= 2.23.1)
BiocParallel (>= 1.8.0)
Imports:
MSnbase (>= 2.29.3),
mzR (>= 2.25.3),
methods,
Biobase,
BiocGenerics,
ProtGenerics (>= 1.35.2),
ProtGenerics (>= 1.35.4),
lattice,
RColorBrewer,
plyr,
RANN,
MassSpecWavelet (>= 1.66.0),
S4Vectors,
robustbase,
IRanges,
SummarizedExperiment,
MsCoreUtils (>= 1.15.3),
MsFeatures,
MsExperiment (>= 1.5.4),
Spectra (>= 1.13.2),
Spectra (>= 1.13.7),
progress,
multtest,
jsonlite,
RColorBrewer,
MetaboCoreUtils (>= 1.11.2)
Suggests:
BiocStyle,
Expand All @@ -80,19 +76,21 @@ Suggests:
rmarkdown,
MALDIquant,
pheatmap,
RANN,
multtest,
MsBackendMgf,
signal,
mgcv
Enhances:
Rgraphviz,
rgl,
XML
rgl
License: GPL (>= 2) + file LICENSE
URL: https://github.com/sneumann/xcms
BugReports: https://github.com/sneumann/xcms/issues/new
VignetteBuilder: knitr
biocViews: ImmunoOncology, MassSpectrometry, Metabolomics
RoxygenNote: 7.3.1
Encoding: UTF-8
Collate:
'AllGenerics.R'
'functions-XChromatograms.R'
Expand Down
33 changes: 13 additions & 20 deletions NAMESPACE
Original file line number Diff line number Diff line change
@@ -1,11 +1,10 @@
useDynLib(xcms)
useDynLib(xcms, .registration = TRUE)

importFrom("utils", "capture.output", "data")
import("methods")
importMethodsFrom("ProtGenerics", "peaks", "chromatogram", "writeMSData",
"polarity<-", "centroided", "isCentroided", "peaks<-",
"isolationWindowTargetMz", "quantify", "bin", "spectrapply",
"filterFeatures", "filterMzRange")
"filterFeatures", "filterMzRange", "filterRt", "filterMz", "filterMsLevel")
importClassesFrom("ProtGenerics", "Param")
importFrom("BiocGenerics", "updateObject", "fileName", "subset",
"dirname", "dirname<-")
Expand All @@ -18,18 +17,12 @@ importMethodsFrom("Biobase", "phenoData",
importFrom("IRanges", "CharacterList", "NumericList")
importClassesFrom("IRanges", "CharacterList", "NumericList")

importFrom("graphics", "image", "boxplot", "matplot", "rect", "axis",
"grid", "mtext", "polygon", "box", "plot.xy")
importFrom("mzR", "peaks", "close", "openMSfile", "header")
importFrom("lattice", "levelplot", "panel.rect", "panel.levelplot",
"level.colors", "do.breaks")
importFrom("plyr", "rbind.fill")
importFrom("robustbase", "lmrob", "lmrob.control")
import("RColorBrewer")
import("BiocParallel")
## importMethodsFrom("stats4", "plot")
importFrom("BiocParallel", "bpparam", "SerialParam")
importMethodsFrom("BiocParallel", "bplapply", "bpmapply")

## import("S4Vectors")
importClassesFrom("S4Vectors", "Rle", "DataFrame", "Hits")
importFrom("S4Vectors", "split", "Rle", "DataFrame", "SimpleList", "List",
"as.matrix")
Expand All @@ -41,12 +34,13 @@ importFrom("SummarizedExperiment", "rowData<-")
importFrom("SummarizedExperiment", "assay")
importFrom("MsCoreUtils", "rbindFill", "closest", "i2index", "sumi", "between",
"maxi", "breaks_ppm")
importFrom("RColorBrewer", "brewer.pal")

## Additional imports proposed by R CMD check:
importFrom("graphics", "abline", "barplot", "close.screen", "hist",
"identify", "layout", "legend", "lines", "par", "plot.new",
"plot.window", "points", "screen", "split.screen",
"strwidth", "text", "title")
importFrom("graphics", "image", "boxplot", "matplot", "rect", "axis",
"grid", "mtext", "polygon", "box", "plot.xy", "abline",
"barplot", "close.screen", "hist", "identify", "layout",
"legend", "lines", "par", "plot.new", "plot.window", "points",
"screen", "split.screen", "strwidth", "text", "title")
importFrom("grDevices", "col2rgb", "colorRampPalette", "dev.cur",
"dev.list", "dev.off", "dev.set", "palette", "pdf", "png",
"rainbow", "rgb", "terrain.colors", "n2mfrow", "dev.flush",
Expand All @@ -58,11 +52,8 @@ importFrom("stats", "aov", "approx", "convolve", "cor", "deriv3",
"rnorm", "runif", "dbeta", "resid")
importFrom("utils", "flush.console", "head", "object.size",
"packageVersion", "read.csv", "tail", "write.csv",
"write.table")
"write.table", "capture.output", "data")

## New imports from packages moved from Suggests to Imports:
importFrom("multtest", "mt.teststat")
importFrom("RANN", "nn2")
importFrom("MassSpecWavelet", "peakDetectionCWT", "tuneInPeakInfo")

## MSnbase:
Expand Down Expand Up @@ -595,6 +586,8 @@ importFrom("progress", "progress_bar")
exportClasses("XcmsExperiment")
exportMethods("uniqueMsLevels")
exportMethods("filterMzRange")
exportMethods("fromFile")
exportMethods("fileNames")

## saving xcms objects things
importFrom("jsonlite", "serializeJSON", "write_json", "unserializeJSON",
Expand Down
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