R/plotSpectraSuper.R

In glotaran/TIMP: Fitting Separable Nonlinear Models in Spectroscopy and Microscopy

"plotSpectraSuper" <- function(multimodel, multitheta, plotoptions) {
  oldpar <- par(no.readonly = TRUE)
  on.exit(par(oldpar))
  if (dev.cur() != 1) {
    dev.new()
  }
  m <- multimodel@modellist
  t <- multitheta
  res <- multimodel@fit@resultlist
  superimpose <- plotoptions@superimpose
  if (length(superimpose) < 1 || any(superimpose > length(m))) {
    superimpose <- 1:length(m)
  }
  divdrel <- plotoptions@divdrel
  allx2 <- allx <- vector()
  for (i in superimpose) {
    allx2 <- append(allx2, m[[i]]@x2)
    allx <- append(allx, m[[i]]@x)
  }
  if (length(plotoptions@xlim) == 0) {
    x2max <- max(allx2)
    x2min <- min(allx2)
  }
  allx <- sort(unique(allx))
  ## set up plot layout
  par(plotoptions@paropt)
  par(mgp = c(2, 1, 0), mar = c(0, 2, 3, 0), oma = c(1, 0, 4, 0))
  if (length(plotoptions@selectedtraces) > 0) {
    seltraces <- plotoptions@selectedtraces
    xx <- vector()
    for (i in superimpose) {
      xx <- append(m[[i]]@x[seltraces], xx)
    }
    lensel <- length(unique(xx))
  } else {
    seltraces <- 1:length(allx)
    lensel <- length(seltraces)
  }
  ymax <- ymin <- rep(0, length(allx)) # is including 0 good?

  # ugly, fix

  for (j in 1:length(allx)) {
    for (i in 1:length(m)) {
      k <- which(m[[i]]@x == allx[j])[1]
      if (i %in% superimpose && k %in% seltraces) {
        data <- m[[i]]@psi.df[k, ]
        fitted <- res[[i]]@fitted[[k]]
        if (divdrel && length(t[[i]]@drel) != 0) {
          if (length(m[[i]]@dscalspec$perclp) != 0) {
            if (m[[i]]@dscalspec$perclp) {
              data <- data / t[[i]]@drel[k]
              fitted <- fitted / t[[i]]@drel[k]
            } else {
              data <- data / t[[i]]@drel
              fitted <- fitted / t[[i]]@drel
            }
          }
        }
        if (m[[i]]@weight) {
          fitted <- fitted / m[[i]]@weightM[, k]
        }
        ymax[j] <- max(fitted, data, ymax[j])
        ymin[j] <- min(fitted, data, ymin[j])
      }
    }
  }
  par(mfrow = n2mfrow(lensel))
  for (j in 1:length(allx)) {
    plotted <- FALSE
    for (i in 1:length(m)) {
      k <- which(m[[i]]@x == allx[j])[1]

      if (i %in% superimpose && k %in% seltraces) {
        data <- m[[i]]@psi.df[k, ]
        fitted <- res[[i]]@fitted[[k]]
        if (divdrel && length(t[[i]]@drel) != 0) {
          if (length(m[[i]]@dscalspec$perclp) != 0) {
            if (m[[i]]@dscalspec$perclp) {
              data <- data / t[[i]]@drel[k]
              fitted <- fitted / t[[i]]@drel[k]
            } else {
              data <- data / t[[i]]@drel
              fitted <- fitted / t[[i]]@drel
            }
          }
        }
        if (m[[i]]@weight) {
          fitted <- fitted / m[[i]]@weightM[k, ]
        }
        cold <- if (length(plotoptions@coldata) == 0) {
          i
        } else {
          plotoptions@coldata[i]
        }
        ltd <- if (length(plotoptions@ltydata) == 0) {
          1
        } else {
          plotoptions@ltydata
        }
        colf <- if (length(plotoptions@colfit) == 0) {
          if (length(m) > 1) i else 2
        } else {
          plotoptions@colfit[i]
        }
        ltf <- if (length(plotoptions@ltyfit) == 0) {
          3
        } else {
          plotoptions@ltyfit
        }
        if (!plotted) {
          plot(m[[i]]@x2, data,
            type = "l",
            ylim = c(ymin[j], ymax[j]),
            xlab = plotoptions@xlab,
            ylab = "amplitude", col = cold, lty = ltd
          )
          title(signif(m[[i]]@x[k]), line = 0)
          plotted <- TRUE
        } else {
          lines(m[[i]]@x2, data, type = "l", col = cold, lty = ltd)
        }
        lines(m[[i]]@x2, fitted, type = "l", col = colf, lty = ltf)
      }
    }
  }
  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)

  # MAKE PS
  if (dev.interactive() && length(plotoptions@makeps) != 0) {
    if (plotoptions@output == "pdf") {
      pdev <- pdf
    } else {
      pdev <- postscript
    }
    dev.print(
      device = pdev,
      file = paste(plotoptions@makeps, "_selectedtraces.",
        plotoptions@output,
        sep = ""
      )
    )
  }
}