R/preProcess.R

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

"preProcess" <-
  function(data, sample = 1, sample_time = 1, sample_lambda = 1,
           sel_time = vector(), sel_lambda = vector(), baselinetime = vector(),
           baselinelambda = vector(), scalx = NULL, scalx2 = NULL,
           sel_lambda_ab = vector(), sel_time_ab = vector(), rm_x2 = vector(),
           rm_x = vector(), svdResid = list(), numV = 0, sel_special = list(),
           doubleDiff = FALSE, doubleDiffFile = "doubleDiff.txt") {
    ## Note that the options are _not_ compatible with each other
    ## call preProcess repeatedly for consistency

    dataN <- sample_sel(
      data = data, sample = sample, sample_time =
        sample_time, sample_lambda = sample_lambda,
      sel_time = sel_time, sel_lambda = sel_lambda,
      sel_lambda_ab = sel_lambda_ab,
      sel_time_ab = sel_time_ab, sel_special = sel_special
    )
    if (length(baselinelambda) != 0) {
      dataN <- baseCorlambda(dataN, baselinelambda)
    }
    if (length(baselinetime) != 0) {
      dataN <- baseCortime(dataN, baselinetime)
    }
    if (length(rm_x2) != 0) {
      dataN@psi.df <- dataN@psi.df[, -rm_x2]
      dataN@x2 <- dataN@x2[-rm_x2]
      dataN@nl <- dataN@nl - length(rm_x2)
    }
    if (length(rm_x) != 0) {
      dataN@psi.df <- dataN@psi.df[-rm_x, ]
      dataN@x <- dataN@x[-rm_x]
      dataN@nt <- dataN@nt - length(rm_x)
    }
    if (!is.null(scalx)) {
      dataN@x <- dataN@x * scalx
    }
    if (!is.null(scalx2)) {
      dataN@x2 <- dataN@x2 * scalx2[1] + scalx2[2]
    }
    if (numV > 0) {
      if (numV == 1) {
        subtr <- as.matrix(
          as.matrix(svdResid$left[, 1:numV]) * svdResid$value[1:numV]
        ) %*% t(as.matrix(svdResid$right[1:numV, ]))
      } else {
        leftscaled <- svdResid$left[, 1:numV]
        for (i in 1:numV) {
          leftscaled[, i] <- leftscaled[, i] * svdResid$value[i]
        }
        subtr <- leftscaled %*% svdResid$right[1:numV, ]
      }
      if (svdResid$weight) {
        subtr <- subtr / svdResid$weightM
      }
      dataN@psi.df <- dataN@psi.df - subtr
    }
    if (doubleDiff) {
      dataN <- doubleDiff(dataN, file = doubleDiffFile)
    }
    dataN@datCall <- append(data@datCall, match.call())
    dataN
  }