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-rw-r--r--R/chent.R12
1 files changed, 4 insertions, 8 deletions
diff --git a/R/chent.R b/R/chent.R
index f3626de..75b6098 100644
--- a/R/chent.R
+++ b/R/chent.R
@@ -21,7 +21,6 @@
#' the internet. Additionally, it can be generated using RDKit if RDKit and its
#' python bindings are installed and configured for use with PythonInR.
#'
-#' @docType class
#' @export
#' @format An \code{\link{R6Class}} generator object
#' @importFrom R6 R6Class
@@ -47,8 +46,6 @@
#' @field soil_ff Dataframe of formation fractions
#' @field soil_sorption Dataframe of soil sorption data
#' @field PUF Plant uptake factor
-#' @example inst/examples/octanol.R
-#' @example inst/examples/caffeine.R
#' @keywords data
chent <- R6Class("chent",
@@ -122,7 +119,7 @@ chent <- R6Class("chent",
if (n_results > 1) {
warning("Found ", n_results, " entries in PubChem, using the first one.")
}
- self$get_pubchem(pubchem_result[[1]][1])
+ self$get_pubchem(pubchem_result[[1, "cid"]])
}
},
get_pubchem = function(pubchem_cid) {
@@ -296,7 +293,7 @@ chent <- R6Class("chent",
stringsAsFactors = FALSE))
},
soil_degradation = NULL,
- add_soil_degradation = function(soils, DT50,
+ add_soil_degradation = function(soils, DT50_mod, DT50_mod_ref,
type = NA, country = NA,
pH_orig = NA, pH_medium = NA, pH_H2O = NA,
perc_OC = NA,
@@ -306,7 +303,8 @@ chent <- R6Class("chent",
remark = "", source, page = NA) {
new_soil_degradation = data.frame(
soil = soils,
- DT50 = DT50,
+ DT50_mod = DT50_mod,
+ DT50_mod_ref = DT50_mod_ref,
type = type,
country = country,
pH_orig = pH_orig,
@@ -473,7 +471,6 @@ draw_svg.chent = function(x, width = 300, height = 150,
#' @importFrom grImport grid.picture
#' @param x The chent object to be plotted
#' @param ... Further arguments passed to \code{\link{grid.picture}}
-#' @example inst/examples/caffeine.R
#' @export
plot.chent = function(x, ...) {
if (is.null(x$Picture)) stop("No Picture object in chent, was RDKit available during creation?")
@@ -491,7 +488,6 @@ plot.chent = function(x, ...) {
#' @format An \code{\link{R6Class}} generator object
#' @field iso ISO common name according to ISO 1750 as retreived from www.alanwood.net/pesticides
#' @field alanwood List of information retreived from www.alanwood.net/pesticides
-#' @example inst/examples/pai.R
#' @keywords data
pai <- R6Class("pai",

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