simplerspec/R/plot_spc.R

#' @title Plot tibble spectra
#' @description Plot spectra from tibble spectra objects.
#' @param spc_tbl Tibble that contains the first set of spectra to plot as
#' list-column
#' @param spc_tbl_2 Tibble that contains the second set of spectra (optional)
#' to plot as list-column.
#' @param x_unit Character string describing the x axis unit. Default is
#'  \code{"wavenumber"}, which will produce a graph with wavenumbers on the
#'  x axis with reversed number. If \code{x_unit = "wavelength"}, the axis
#'  will be in regular order (lower wavelengths in nm on the left and higher
#'  on the right side of the axis).
#' @param y Character string of list-column name in tibble where spectra of
#' desired type are extracted to plot.
#' @param by Character string of column that is used to group the spectra.
#' Default is \code{"unique_id"}. If replica spectra are present in the file
#' and processed spectra resulting after averaging need to be plotted,
#' it is recommend to use \code{"sample_id"} as argument to group according
#' the sample_id column in the tibble(s) containing the spectra (\code{spc_tbl}
#' and \code{spc_tbl_2}).
#' @param graph_id_1 Character string used for grouping the first spectra set
#' (\code{spc_tbl}) and producing
#' the label text accordingly. Default is \code{"Set 1"}.
#' @param graph_id_2 Character string used for grouping the second spectra set
#' (\code{spc_tbl_2}) and producing the label text accordingly. Default is
#' \code{"Set 2"}
#' @param graph_id_1_col Character string for the colour of the first spectra
#' set. Default is \code{"black"}.
#' @param graph_id_2_col Character string for the colour of the first spectra
#' set. Default is \code{"red"}.
#' @param xlab Character string or mathematical expression
#' (use \code{expression}) for the x axis title. Default is
#' \code{expression(paste("Wavenumber [", cm^-1, "]"))}.
#' @param ylab Character string or mathematical expression
#' (use \code{expression}) for the y axis title. Default is \code{"absorbance"}.
#' @param alpha Double in between 0 and 1. Sets the transparency for the plotted
#' spectra lines.
#' @param legend Logical whether to plot a legend for the spectra describing
#' its name selected in arguments \code{graph_id_1} and \code{graph_id_2}.
#' Default is \code{TRUE}.
#' @usage plot_spc(spc_tbl, spc_tbl_2 = NULL,
#'   x_unit = "wavenumber",
#'   y = "spc", by = "unique_id",
#'   graph_id_1 = "Set 1", graph_id_2 = "Set 2",
#'   graph_id_1_col = "black", graph_id_2_col = "red",
#'   xlab = expression(paste("Wavenumber [", cm^-1, "]")),
#'   ylab = "Absorbance",
#'   alpha = 0.2, legend = TRUE)
#' @export
plot_spc <- function(spc_tbl, spc_tbl_2 = NULL,
                     x_unit = "wavenumber",
                     y = "spc", by = "unique_id",
                     graph_id_1 = "Set 1", graph_id_2 = "Set 2",
                     graph_id_1_col = "black", graph_id_2_col = "red",
                     xlab = expression(paste("Wavenumber [", cm^-1, "]")),
                     ylab = "Absorbance", alpha = 0.2,
                     legend = TRUE) {

  # Fix `R CMD check NOTE`: "no visible binding for global variable ‘...‘"
  graph_id <- id <- variable <- value <- NULL

  # (1) Gather spectra into one data.table
  if (!is.null(spc_tbl_2)) {
    if (y == "spc") {
      # raw spectra are not yet data.tables and extraction is done alternatively
      # via do.call(rbind, list) -> a little bit slower
      dt_1 <- data.table::data.table(do.call(rbind, spc_tbl[, y][[y]]))
      dt_2 <- data.table::data.table(do.call(rbind, spc_tbl_2[, y][[y]]))
    } else {
      dt_1 <- data.table::rbindlist(spc_tbl[, y][[y]])
      dt_2 <- data.table::rbindlist(spc_tbl_2[, y][[y]])
    }
  } else {
    if (y == "spc") {
      # raw spectra are not yet data.tables and extraction is done alternatively
      # via do.call(rbind, list) -> a little bit slower
      dt_1 <- data.table::data.table(do.call(rbind, spc_tbl[, y][[y]]))
    } else {
      dt_1 <- data.table::rbindlist(spc_tbl[, y][[y]])
    }
  }

  # (2) Extract ID variable and append it to the data.table
  id_1 <- spc_tbl[, by][[by]]
  # Add a graph identity column to distiguish graphical layers for spectra
  # tibble comparisons
  graph_id_1 <- as.factor(rep(graph_id_1, nrow(spc_tbl)))
  dt_1[, graph_id := graph_id_1]
  dt_1[, id := id_1]

  # Only if spc_tbl_2 exists
  if (!is.null(spc_tbl_2)) {
    # (2) Extract ID variable and append it to the data.table
    id_2 <- spc_tbl_2[, by][[by]]
    # Add a graph identity column to distiguish graphical layers for spectra
    # tibble comparisons
    graph_id_2 <- as.factor(rep(graph_id_2, nrow(spc_tbl_2)))
    dt_2[, graph_id := graph_id_2]
    dt_2[, id := id_2]
    dt_list <- list(
      dt_1 = dt_1,
      dt_2 = dt_2
    )
    dt <- data.table::rbindlist(dt_list)
  } else {
    dt <- dt_1
  }
  # (3) Convert data.table from wide to long form
  dt_long <- data.table::melt(
    dt,
    measure = names(dt)[!names(dt) %in% c("id", "graph_id")]
  )
  # Convert variable column from factor to numeric
  dt_long[, variable := as.numeric(as.character(variable))]
  # (4) Plot spectra
  # Define nice breaks for x axis
  brk <- pretty(as.numeric(names(dt)[!names(dt) %in% c("id", "graph_id")]), n = 10)
  p <- ggplot2::ggplot(dt_long, ggplot2::aes(variable, value)) +
    ggplot2::labs(x = xlab, y = ylab) +
    ggplot2::theme_bw() +
    ggplot2::scale_x_reverse(breaks = brk) +
    # Bring graph_id_2 spectra to front
    # http://stackoverflow.com/questions/21120088/ggplot2-bring-one-line-to-the-front-but-save-the-colors
    ggplot2::geom_line(ggplot2::aes(colour = graph_id, group = id),
      alpha = alpha, size = 0.2
    ) +
    # scale_color_manual(values = rep("black", nrow(dt)))
    ggplot2::scale_color_manual(values = c(graph_id_1_col, graph_id_2_col))

  if ("wavelengths_rs" %in% names(spc_tbl) && x_unit == "wavelength") {
    p <- p +
      ggplot2::scale_x_continuous(breaks = brk) +
      ggplot2::xlab("Wavelength [nm]") +
      ggplot2::ylab("Reflectance")
  }

  if (legend == FALSE) {
    p <- p +
      # Remove legend
      ggplot2::guides(colour = FALSE)
  }
  p
}