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fix spectra dep
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DESCRIPTION

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Package: Chromatograms
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Title: Infrastructure for Chromatographic Mass Spectrometry Data
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Version: 0.99.5
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Version: 0.99.6
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Description: The Chromatograms packages defines an efficient infrastructure
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for storing and handling of chromatographic mass spectrometry data. It
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provides different implementations of *backends* to store and represent the
@@ -30,7 +30,7 @@ Imports:
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methods,
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S4Vectors,
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MsCoreUtils (>= 1.7.5),
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IRanges
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Spectra
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Suggests:
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msdata (>= 0.19.3),
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roxygen2,
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knitr (>= 1.1.0),
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rmarkdown,
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mzR (>= 2.41.4),
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Spectra,
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MsBackendMetaboLights (>= 1.3.1),
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vdiffr,
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RColorBrewer

NAMESPACE

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@@ -78,10 +78,10 @@ exportMethods(show)
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exportMethods(split)
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exportMethods(supportsSetBackend)
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importClassesFrom(ProtGenerics,ProcessingStep)
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importClassesFrom(Spectra,Spectra)
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importFrom(BiocParallel,SerialParam)
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importFrom(BiocParallel,bplapply)
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importFrom(BiocParallel,bpparam)
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importFrom(IRanges,NumericList)
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importFrom(MsCoreUtils,between)
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importFrom(MsCoreUtils,i2index)
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importFrom(MsCoreUtils,maxi)
@@ -90,6 +90,11 @@ importFrom(MsCoreUtils,sumi)
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importFrom(MsCoreUtils,vapply1c)
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importFrom(MsCoreUtils,vapply1l)
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importFrom(ProtGenerics,ProcessingStep)
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importFrom(Spectra,Spectra)
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importFrom(Spectra,filterRanges)
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importFrom(Spectra,peaksData)
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importFrom(Spectra,spectraData)
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importFrom(Spectra,spectraVariables)
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importFrom(grDevices,dev.flush)
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importFrom(grDevices,dev.hold)
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importFrom(grDevices,n2mfrow)

NEWS.md

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# Version 0.99.5
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# Version 0.99.6
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## Changes in 0.99.6
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- Add `Spectra` dependency.
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## Changes in 0.99.5
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R/ChromBackendSpectra.R

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@@ -73,7 +73,8 @@ NULL
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#' @return Refer to the individual function description for information on the
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#' return value.
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#'
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#' @importFrom IRanges NumericList
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#' @importClassesFrom Spectra Spectra
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#' @importFrom Spectra Spectra spectraVariables spectraData
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#'
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#' @examples
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#' library(Spectra)
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chromData = fillCoreChromVariables(data.frame()),
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peaksData = list(.EMPTY_PEAKS_DATA),
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readonly = TRUE,
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spectra = Spectra::Spectra(),
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spectra = Spectra(),
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version = "0.1",
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inMemory = FALSE,
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summaryFun = sumi
@@ -141,15 +142,14 @@ ChromBackendSpectra <- setClass(
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#' @importFrom methods new
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#' @export ChromBackendSpectra
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ChromBackendSpectra <- function() {
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.check_Spectra_package()
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new("ChromBackendSpectra")
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}
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#' @rdname ChromBackendSpectra
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#' @importFrom methods callNextMethod
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#' @importFrom MsCoreUtils rbindFill sumi maxi
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setMethod("backendInitialize", "ChromBackendSpectra",
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function(object, spectra = Spectra::Spectra(),
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function(object, spectra = Spectra(),
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factorize.by = c("msLevel" , "dataOrigin"),
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summarize.method = c("sum", "max"),
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chromData = fillCoreChromVariables(),
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if (!is(spectra, "Spectra"))
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stop("'spectra' must be a 'Spectra' object.")
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if (!length(spectra)) return(object)
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if (!all(factorize.by %in% Spectra::spectraVariables(spectra)))
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if (!all(factorize.by %in% spectraVariables(spectra)))
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stop("All 'factorize.by' variables must exist in 'spectra'.")
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if (!is.data.frame(chromData))
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stop("'chromData' must be a 'data.frame'.")
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setMethod("factorize", "ChromBackendSpectra",
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function(object, factorize.by = c("msLevel", "dataOrigin"),...) {
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if (!all(factorize.by %in%
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Spectra::spectraVariables(.spectra(object))))
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spectraVariables(.spectra(object))))
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stop("All 'factorize.by' variables must be in the ",
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"Spectra object.")
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spectra_f <- factor(
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do.call(
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paste,
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c(as.list(
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Spectra::spectraData(.spectra(object))[,
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spectraData(.spectra(object))[,
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factorize.by]),
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sep = "_")))
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R/helpers.R

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}
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}
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#' Used In:
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#' - `ChromBackendSpectra()`
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#' @noRd
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.check_Spectra_package <- function() {
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if (!requireNamespace("Spectra", quietly = TRUE)) {
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stop(
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"The use of 'ChromBackendSpectra' requires package 'Spectra'. ",
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"Install it using 'BiocManager::install(\"Spectra\")'"
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)
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}
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}
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#' Function to create chromData form mzml file
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#' Used In:
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#' - `backendInitialize()` for `ChromBackendMzR` class
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#' Used In:
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#' - `peaksData` for `ChromBackendSpectra` class.
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#' @importFrom Spectra peaksData filterRanges
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#' @noRd
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.process_peaks_data <- function(cd, s, columns, fun, drop) {
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s <- Spectra::filterRanges(s,
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s <- filterRanges(s,
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spectraVariables = rep("rtime", nrow(cd)),
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ranges = as.vector(rbind(cd$rtmin, cd$rtmax)),
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match = "any"
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)
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pd <- Spectra::peaksData(s, columns = c("mz", "intensity"))
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pd <- peaksData(s, columns = c("mz", "intensity"))
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do_rt <- "rtime" %in% columns
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do_int <- "intensity" %in% columns
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rt <- rtime(s)

man/ChromBackendSpectra.Rd

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