feat: Add ChemoSpec_to_hyperSpec and inverse

R/to_ChemoSpec.R

@@ -163,3 +163,41 @@ matrix_to_ChemoSpec <- function(
     ...
   )
 }
+
+#' {hyperSpec} 🔵  ➡️ 🟠 {ChemoSpec}
+#'
+#' {ChemoSpec} requires that the {hyperSpec} object
+#' meets the following conditions:
+#' - Wavelengths must be unique.
+#' - Spectra must not contain `NA`s.
+#'
+#' @param hySpc [`hyperSpec::hyperSpec-class`] object.
+#' @inheritParams to_ChemoSpec
+#' @inheritDotParams to_ChemoSpec groups desc colors_set sym_set alt.sym_set .strict_extra_data_names
+#'
+#' @examples
+#' suppressPackageStartupMessages(library(hyperSpec))
+#' data(flu)
+#' hyperSpec_to_ChemoSpec(
+#'   flu,
+#'   names = 1:6 |> as.character(),
+#'   groups = LETTERS[1:6] |> as.factor()
+#' ) |> str()
+#'
+#' @export
+#' @keywords from_hyperSpec to_ChemoSpec
+#' @seealso `to_ChemoSpec()`, `ChemoSpec_to_hyperSpec()`
+hyperSpec_to_ChemoSpec <- function(hySpc, names, groups, ...) {
+  to_ChemoSpec(
+    data = hySpc[[]],
+    freq = hySpc |> hyperSpec::wl(),
+    names = names,
+    # ^ Unique filenames are not enforced by hyperSpec
+    groups = groups,
+    # ^ No class factor is required for hyperSpec
+    unit_frequency = hySpc@label$.wavelength |> base::as.character(),
+    unit_intensity = hySpc@label$spc |> base::as.character(),
+    extra_data = hySpc$..,
+    ...
+  )
+}

R/to_hyperSpec.R

@@ -12,3 +12,58 @@ to_hyperSpec <- function(...) {
   rlang::check_installed("hyperSpec", version = "0.200.0.9000")
   hyperSpec::new_hyperSpec(...)
 }
+
+#' {ChemoSpec} 🟠 ➡️ 🔵 {hyperSpec}
+#'
+#' @param Spectra `ChemoSpec::Spectra()` object.
+#' @inheritDotParams hyperSpec::new_hyperSpec gc
+#'
+#' @returns A [`hyperSpec::hyperSpec-class`] object.
+#'
+#' @examples
+#' suppressPackageStartupMessages(library(ChemoSpec))
+#' data("alignMUD")
+#' ChemoSpec_to_hyperSpec(alignMUD) |> str()
+#'
+#' @export
+#' @keywords from_ChemoSpec to_hyperSpec
+#' @seealso `to_hyperSpec()`, `hyperSpec_to_ChemoSpec()`
+ChemoSpec_to_hyperSpec <- function(Spectra, ...) {
+  rlang::check_installed("ChemoSpecUtils")
+  ChemoSpecUtils::chkSpectra(Spectra)
+
+  spc <- Spectra$data
+
+  extra_names <- base::names(Spectra) |>
+    base::setdiff(base::c(
+      "freq", "names", "data", "groups", "colors", "sym", "alt.sym", "unit", "desc"
+    ))
+
+  data <- data.frame(
+    groups = Spectra$groups,
+    colors = Spectra$colors,
+    sym = Spectra$sym,
+    alt.sym = Spectra$alt.sym
+  ) |> cbind(
+    Spectra[extra_names] |>
+      base::as.data.frame(row.names = Spectra$names)
+  )
+
+  wavelength <- Spectra$freq
+  labels <- base::list(
+    .wavelength = Spectra$unit[1],
+    spc = Spectra$unit[2]
+  )
+
+  for (extra_name in extra_names) {
+    labels[[extra_name]] <- extra_name
+  }
+
+  to_hyperSpec(
+    spc = spc,
+    data = data,
+    wavelength = wavelength,
+    labels = labels,
+    ...
+  )
+}