diff options
Diffstat (limited to 'R/CAKE_export.R')
| -rw-r--r-- | R/CAKE_export.R | 44 |
1 files changed, 27 insertions, 17 deletions
diff --git a/R/CAKE_export.R b/R/CAKE_export.R index db9caa8d..70661b10 100644 --- a/R/CAKE_export.R +++ b/R/CAKE_export.R @@ -1,20 +1,30 @@ -# Copyright (C) 2019 Johannes Ranke -# Contact: jranke@uni-bremen.de - -# This file is part of the R package mkin - -# mkin is free software: you can redistribute it and/or modify it under the -# terms of the GNU General Public License as published by the Free Software -# Foundation, either version 3 of the License, or (at your option) any later -# version. - -# This program is distributed in the hope that it will be useful, but WITHOUT -# ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS -# FOR A PARTICULAR PURPOSE. See the GNU General Public License for more -# details. - -# You should have received a copy of the GNU General Public License along with -# this program. If not, see <http://www.gnu.org/licenses/> +#' Export a list of datasets format to a CAKE study file +#' +#' In addition to the datasets, the pathways in the degradation model can be +#' specified as well. +#' +#' @param ds A named list of datasets in long format as compatible with +#' \code{\link{mkinfit}}. +#' @param map A character vector with CAKE compartment names (Parent, A1, ...), +#' named with the names used in the list of datasets. +#' @param links An optional character vector of target compartments, named with +#' the names of the source compartments. In order to make this easier, the +#' names are used as in the datasets supplied. +#' @param filename Where to write the result. Should end in .csf in order to be +#' compatible with CAKE. +#' @param path An optional path to the output file. +#' @param overwrite If TRUE, existing files are overwritten. +#' @param study The name of the study. +#' @param description An optional description. +#' @param time_unit The time unit for the residue data. +#' @param res_unit The unit used for the residues. +#' @param comment An optional comment. +#' @param date The date of file creation. +#' @param optimiser Can be OLS or IRLS. +#' @importFrom utils write.table +#' @return The function is called for its side effect. +#' @author Johannes Ranke +#' @export CAKE_export <- function(ds, map = c(parent = "Parent"), links = NA, filename = "CAKE_export.csf", path = ".", overwrite = FALSE, |