R/getModel.R

In TIMP: Fitting Separable Nonlinear Models in Spectroscopy and Microscopy

"getModel" <- function(data, modelspec, modeldiffs, datasetind, opt) {
  if (length(datasetind) != length(data)) {
    datasetind <- rep(1, length(data))
  }
  modellist <- vector("list", length(data))
  resultlist <- vector("list", length(data))
  plugin <- c(
    "psi.df", "x", "x2", "nt", "nl", "simdata", "inten",
    "datafile", "satMat", "outMat"
  )
  for (i in 1:length(data)) {
    resultlist[[i]] <- res()
    modellist[[i]] <- modelspec[[datasetind[i]]]
    for (sl in plugin) {
      slot(modellist[[i]], sl) <- slot(data[[i]], sl)
    } # TODO: avoid data duplication!
  }
  # if ( (currModel@modelspec)[[1]]@dispmu &&
  #     length((currModel@modelspec)[[1]]@parmu[[1]])>0 &&
  #      length((currModel@modelspec)[[1]]@lambdac)==0){
  #  try(
  #    (currModel@modelspec)[[1]]@lambdac <- slot((currModel@data)[[1]],(currModel@modelspec)[[1]]@clpType)[[1]]
  #  )
  # }
  modellist <- addDscal(modellist, modeldiffs$dscal)
  if (length(modeldiffs$free) != 0) {
    modellist <- diffFree(modellist, modeldiffs$free)
  }
  if (length(modeldiffs$remove) != 0) {
    modellist <- diffRemove(modellist, modeldiffs$remove)
  }
  if (length(modeldiffs$add) != 0) {
    modellist <- diffAdd(modellist, modeldiffs$add)
  }
  if (length(modeldiffs$change) != 0) {
    reCh <- diffChange(modellist, modeldiffs$change)
    modellist <- reCh$modellist
    modeldiffs$change <- reCh$diffsadd
  }
  if (length(modeldiffs$rel) != 0) {
    modellist <- diffRel(modellist, modeldiffs$rel)
  }
  if (length(modeldiffs$dscal) == 0) {
    modeldiffs$dscal <- list()
  }
  if (length(modeldiffs$weightList) > 0) {
    modellist <- addOutlierWeights(modellist, modeldiffs$weightList)
  }
  modellist <- lapply(modellist, applyWeightingModel)
  modellist <- lapply(modellist, initModellist)
  modellist <- getPrelBetweenDatasets(modellist, modeldiffs$rel)
  linkclp <- if (length(modeldiffs$linkclp) < 1) {
    list(1:length(modellist))
  } else {
    modeldiffs$linkclp
  }
  grlist <- list()

  for (i in 1:length(linkclp)) {
    mlist <- list()
    mlabel <- vector()
    for (j in linkclp[[i]]) {
      mlist <- append(mlist, modellist[[j]])
      mlabel <- append(mlabel, j)
    }
    gr <- getGroups(mlist, modeldiffs, mlabel)
    grlist <- append(grlist, gr)
  }
  if (length(modeldiffs$getXsuper) > 1) {
    getXsuper <- modeldiffs$getXsuper
  } else {
    getXsuper <- FALSE
  }
  if (opt@writedata) {
    writeData(data, opt)
  }
  multimodel(
    modellist = modellist, data = data, datasetind = datasetind,
    modelspec = modelspec, stderrclp = opt@stderrclp,
    modeldiffs = modeldiffs,
    nnlscrit = opt@nnlscrit, nnls = opt@nnls, optlist = list(opt),
    groups = grlist, getXsuper = getXsuper,
    trilinear = opt@trilinear,
    fit = fit(resultlist = resultlist), algorithm = opt@algorithm
  )
}