R/plotSpecKin.R

In TIMP: Fitting Separable Nonlinear Models in Spectroscopy and Microscopy

"plotSpecKin" <-
  function(multimodel, t, plotoptions, newplot = TRUE, max_x = NA, min_x = NA,
           ylim = vector(), kinspecerr = FALSE) {
    oldpar <- par(no.readonly = TRUE)
    on.exit(par(oldpar))
    m <- multimodel@modellist
    resultlist <- multimodel@fit@resultlist
    if (newplot) {
      par(oma = c(0, 0, 2, 0))
      kinspecerr <- plotoptions@kinspecerr
    }
    superimpose <- plotoptions@superimpose
    if (length(superimpose) < 1 || any(superimpose > length(m))) {
      superimpose <- 1:length(m)
    }
    if (is.na(max_x) || is.na(max_x)) {
      withlim <- FALSE
    } else {
      withlim <- TRUE
    }
    allx2 <- allx <- vector()
    for (i in 1:length(m)) {
      allx2 <- append(allx2, m[[i]]@x2)
      allx <- append(allx, m[[i]]@x)
    }
    specList <- list()
    maxs <- mins <- maxspecdim <- 0
    specList <- getSpecList(multimodel, t)
    for (i in 1:length(m)) {
      spec <- specList[[i]]
      if (i %in% superimpose) {
        maxs <- max(maxs, max(spec))
        mins <- min(mins, min(spec))
        maxspecdim <- max(maxspecdim, ncol(spec))
      }
    }
    if (!withlim) {
      xlim <- c(min(allx), max(allx))
    } else {
      xlim <- c(min_x, max_x)
    }
    if (length(plotoptions@xlimspec) == 2) {
      xlim <- plotoptions@xlimspec
    }
    if (length(plotoptions@ylimspec) == 2) {
      ylim <- plotoptions@ylimspec
    }
    if (length(ylim) == 0) {
      ylim <- c(mins, maxs)
    }
    if (length(plotoptions@ylimspecplus) == 2) {
      ylim <- ylim + plotoptions@ylimspecplus
    }
    if (plotoptions@normspec) {
      ylim <- c(-1, 1)
    }
    if (kinspecerr) {
      errtList <- getSpecList(multimodel, t, getclperr = TRUE)
    }
    plotted <- FALSE
    for (i in 1:length(m)) {
      if (i %in% superimpose) {
        if (kinspecerr) {
          if (plotoptions@writeclperr) {
            write.table(errtList[[i]],
              file = paste(plotoptions@makeps,
                "_std_err_clp_", i, ".txt",
                sep = ""
              ),
              quote = FALSE, row.names = m[[i]]@x
            )
          }
        }
        if (plotoptions@normspec) {
          sp <- normdat(specList[[i]])
        } else {
          sp <- specList[[i]]
        }

        for (j in 1:ncol(sp)) {
          if (plotoptions@specinterpol) {
            xx <- predict(
              interpSpline(m[[i]]@x,
                sp[, j],
                bSpline = plotoptions@specinterpolbspline
              ),
              nseg = plotoptions@specinterpolseg
            )

            if (!plotted) {
              plot(xx,
                lty = if (plotoptions@samespecline) {
                  1
                } else {
                  i
                }, main = "", xlab = plotoptions@xlab,
                ylab = "amplitude", xlim = xlim, ylim = ylim, col = j,
                type = "l"
              )
            } else {
              lines(xx,
                col = j,
                lty = if (plotoptions@samespecline) 1 else i
              )
            }
            if (kinspecerr) {
              plotCI(m[[i]]@x, sp[, j],
                uiw = errtList[[i]][, j],
                pch = if (plotoptions@specinterpolpoints) 26 - j else NA,
                col = j, sfrac = 0, type = "p", gap = 0, add = TRUE,
                labels = "", lty = if (plotoptions@samespecline) {
                  1
                } else {
                  i
                }
              )
            }

            if (plotoptions@writespecinterpol) {
              write.table(xx$y,
                file = paste(plotoptions@makeps,
                  "dataset", i,
                  "_smoothedspectracomponent_", j, ".txt",
                  sep = ""
                ),
                quote = FALSE, row.names = xx$x
              )
            }
          } else if (kinspecerr) {
            plotCI(m[[i]]@x, sp[, j],
              uiw = errtList[[i]][, j],
              main = "", xlab = plotoptions@xlab,
              ylab = "amplitude", lty = if (plotoptions@samespecline) {
                1
              } else {
                i
              }, xlim = xlim, ylim = ylim,
              col = j, sfrac = 0, type = "l", gap = 0,
              add = !(i == 1 && j == 1), labels = ""
            )
          } else {
            if (!plotted) {
              plot(m[[i]]@x, sp[, j],
                lty = if (plotoptions@samespecline) 1 else i,
                main = "", xlab = plotoptions@xlab,
                ylab = "amplitude", xlim = xlim, ylim = ylim, col = j,
                type = "l"
              )
              plotted <- TRUE
            } else {
              lines(m[[i]]@x, sp[, j],
                col = j,
                lty = if (plotoptions@samespecline) 1 else i
              )
            }
          }
          plotted <- TRUE
        }
      }
    }
    if (newplot && length(plotoptions@title) != 0) {
      if (length(plotoptions@title) != 0) {
        tit <- plotoptions@title
        if (plotoptions@addfilename) tit <- paste(tit, m[[i]]@datafile)
      } else {
        tit <- ""
        if (plotoptions@addfilename) tit <- paste(tit, m[[i]]@datafile)
      }
      mtext(tit, side = 3, outer = TRUE, line = 1)
      par(las = 2)
    }
    abline(0, 0)
    if (dev.interactive() && length(plotoptions@makeps) != 0) {
      if (plotoptions@output == "pdf") {
        pdev <- pdf
      } else {
        pdev <- postscript
      }
      dev.print(device = pdev, file = paste(plotoptions@makeps,
        "_speckin.", plotoptions@output,
        sep = ""
      ))
    }
  }