aboutsummaryrefslogtreecommitdiff
path: root/R/mkinds.R
blob: 17d40875e1fa319ef50c0de1b84e989ce61b95b0 (plain) (blame)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
# Copyright (C) 2015 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/>

#' A dataset class for mkin
#'
#' @docType class
#' @importFrom R6 R6Class
#' @export
#' @format An \code{\link{R6Class}} generator object.
#' @field title A full title for the dataset
#' @field sampling times The sampling times
#' @field time_unit The time unit
#' @field observed Names of the observed compounds
#' @field unit The unit of the observations
#' @field replicates The number of replicates
#' @field data A dataframe with at least the columns name, time and value
#'   in order to be compatible with mkinfit
#' @examples inst/examples/mkinds.R
mkinds <- R6Class("mkinds", 
  public = list(
    title = NULL,
    sampling_times = NULL,
    time_unit = NULL,
    observed = NULL,
    unit = NULL,
    replicates = NULL,
    data = NULL,

    initialize = function(title = "", data, time_unit = NA, unit = NA) {

      self$title = title
      self$sampling_times = unique(data$time)
      self$time_unit = time_unit
      self$observed = unique(data$name)
      self$unit = unit
      self$replicates = max(by(data, list(data$name, data$time), nrow))
      self$data = data
    }
  )
)

#' @export
print.mkinds <- function(x, ...) {
  cat("<mkinds> with $title: ",  x$title, "\n")
  cat("Observed compounds $observed: ", paste(x$observed, collapse = ", "), "\n")
  cat("Sampling times $sampling_times: ", paste(x$sampling_times, collapse = ", "), "\n")
  cat("With a maximum of ", x$replicates, " replicates\n")
  if (!is.na(x$time_unit)) cat("Time units: ", x$time_units, "\n")
  if (!is.na(x$unit)) cat("Observation units: ", x$units, "\n")
}

Contact - Imprint