From 64a476750ff57f4c612620bd58cc4ac42812e185 Mon Sep 17 00:00:00 2001
From: Johannes Ranke A dataset class for mkin At the moment this dataset class is hardly used in mkin. For example,
+mkinfit does not take mkinds datasets as argument, but works with dataframes
+such as the on contained in the data field of mkinds objects. Some datasets
+provided by this package come as mkinds objects nevertheless. An The S3 printing method A full title for the dataset A full title for the dataset times The sampling times The sampling times The time unit The time unit Names of the observed compounds Names of the observed variables The unit of the observations The unit of the observations The number of replicates The maximum number of replicates per sampling time A dataframe with at least the columns name, time and
-value in order to be compatible with mkinfit A data frame with at least the columns name, time
+and value in order to be compatible with mkinfitFormat
+ See also
- R6Class
generator object.Fields
+ print.mkinds
Public fields
-
-
-
-
-
+
+title
sampling_times
time_unit
observed
unit
replicates
data
new()
Create a new mkinds object
mkinds$new(title = "", data, time_unit = NA, unit = NA)
title
The dataset title
data
The data
time_unit
The time unit
unit
The unit of the observations
clone()
The objects of this class are cloneable with this method.
+mds <- mkinds$new("FOCUS A", FOCUS_2006_A) +print(mds)-mds <- mkinds$new("FOCUS A", FOCUS_2006_A)
Print mkinds objects.
+Print mkinds objects
# S3 method for mkinds diff --git a/man/mkinds.Rd b/man/mkinds.Rd index 79eb0167..3bbb1c4b 100644 --- a/man/mkinds.Rd +++ b/man/mkinds.Rd @@ -1,38 +1,43 @@ % Generated by roxygen2: do not edit by hand % Please edit documentation in R/mkinds.R -\docType{class} \name{mkinds} \alias{mkinds} \title{A dataset class for mkin} -\format{An \code{\link{R6Class}} generator object.} \description{ -A dataset class for mkin +At the moment this dataset class is hardly used in mkin. For example, +mkinfit does not take mkinds datasets as argument, but works with dataframes +such as the on contained in the data field of mkinds objects. Some datasets +provided by this package come as mkinds objects nevertheless. } -\section{Fields}{ +\examples{ +mds <- mkinds$new("FOCUS A", FOCUS_2006_A) +print(mds) -\describe{ \item{list("title")}{A full title for the dataset} +} +\seealso{ +The S3 printing method \code{\link{print.mkinds}} +} +\section{Public fields}{ +\if{html}{\out{}} +\describe{ +\item{\code{title}}{A full title for the dataset} -\item{list("sampling")}{times The sampling times} +\item{\code{sampling_times}}{The sampling times} -\item{list("time_unit")}{The time unit} +\item{\code{time_unit}}{The time unit} -\item{list("observed")}{Names of the observed compounds} +\item{\code{observed}}{Names of the observed variables} -\item{list("unit")}{The unit of the observations} +\item{\code{unit}}{The unit of the observations} -\item{list("replicates")}{The number of replicates} +\item{\code{replicates}}{The maximum number of replicates per sampling time} -\item{list("data")}{A dataframe with at least the columns name, time and -value in order to be compatible with mkinfit} } +\item{\code{data}}{A data frame with at least the columns name, time +and value in order to be compatible with mkinfit} } - -\examples{ - -mds <- mkinds$new("FOCUS A", FOCUS_2006_A) - +\if{html}{\out{}} } -\keyword{datasets} \section{Methods}{ \subsection{Public methods}{ \itemize{ @@ -43,10 +48,24 @@ mds <- mkinds$new("FOCUS A", FOCUS_2006_A) \if{html}{\out{
}} \if{html}{\out{}} \subsection{Method \code{new()}}{ +Create a new mkinds object \subsection{Usage}{ \if{html}{\out{}}\preformatted{mkinds$new(title = "", data, time_unit = NA, unit = NA)}\if{html}{\out{}} } +\subsection{Arguments}{ +\if{html}{\out{}} +\describe{ +\item{\code{title}}{The dataset title} + +\item{\code{data}}{The data} + +\item{\code{time_unit}}{The time unit} + +\item{\code{unit}}{The unit of the observations} +} +\if{html}{\out{}} +} } \if{html}{\out{
}} \if{html}{\out{}} diff --git a/man/print.mkinds.Rd b/man/print.mkinds.Rd index 54dc5a12..51ef3b76 100644 --- a/man/print.mkinds.Rd +++ b/man/print.mkinds.Rd @@ -12,5 +12,5 @@ \item{\dots}{Not used.} } \description{ -Print mkinds objects. +Print mkinds objects } diff --git a/test.log b/test.log index 2db18301..77130814 100644 --- a/test.log +++ b/test.log @@ -2,52 +2,37 @@ Loading mkin Testing mkin ✔ | OK F W S | Context ✔ | 2 | Export dataset for reading into CAKE -✔ | 13 | Results for FOCUS D established in expertise for UBA (Ranke 2014) [3.8 s] +✔ | 13 | Results for FOCUS D established in expertise for UBA (Ranke 2014) [3.7 s] ✔ | 4 | Calculation of FOCUS chi2 error levels [2.3 s] -✔ | 4 | Fitting the SFORB model [1.7 s] +✔ | 4 | Fitting the SFORB model [1.8 s] ✔ | 5 | Calculation of Akaike weights -✔ | 10 | Confidence intervals and p-values [10.2 s] -✔ | 14 | Error model fitting [40.7 s] +✔ | 10 | Confidence intervals and p-values [10.7 s] +✔ | 14 | Error model fitting [42.8 s] ✔ | 6 | Test fitting the decline of metabolites from their maximum [0.8 s] ✔ | 1 | Fitting the logistic model [1.0 s] ✔ | 1 | Test dataset class mkinds used in gmkin -✖ | 11 1 | Special cases of mkinfit calls [2.3 s] -──────────────────────────────────────────────────────────────────────────────── -test_mkinfit_errors.R:64: failure: We get reproducible output if quiet = FALSE -Results have changed from known value recorded in 'DFOP_FOCUS_C_messages.txt'. -2/165 mismatches -x[84]: "Sum of squared residuals at call 57: 4.364077" -y[84]: "Sum of squared residuals at call 57: 4.364078" - -x[105]: "85.00134 -0.7776046 -4.025878 1.248775 " -y[105]: "85.00135 -0.7776046 -4.025878 1.248775 " -──────────────────────────────────────────────────────────────────────────────── +✔ | 12 | Special cases of mkinfit calls [2.5 s] ✔ | 9 | mkinmod model generation and printing [0.2 s] -✔ | 3 | Model predictions with mkinpredict [0.3 s] -✔ | 16 | Evaluations according to 2015 NAFTA guidance [4.3 s] -✔ | 4 | Calculation of maximum time weighted average concentrations (TWAs) [2.2 s] +✔ | 3 | Model predictions with mkinpredict [0.4 s] +✔ | 16 | Evaluations according to 2015 NAFTA guidance [4.4 s] +✔ | 4 | Calculation of maximum time weighted average concentrations (TWAs) [2.3 s] ✔ | 3 | Summary -✖ | 10 1 | Plotting [0.6 s] -──────────────────────────────────────────────────────────────────────────────── -test_plots_summary_twa.R:118: failure: Plotting mkinfit and mmkin objects is reproducible -Figures don't match: plot-errmod-with-sfo-lin-a-obs.svg - -──────────────────────────────────────────────────────────────────────────────── +✔ | 11 | Plotting [0.6 s] ✔ | 4 | AIC calculation ✔ | 2 | Residuals extracted from mkinfit models -✔ | 2 | Complex test case from Schaefer et al. (2007) Piacenza paper [5.6 s] +✔ | 2 | Complex test case from Schaefer et al. (2007) Piacenza paper [5.7 s] ✔ | 1 | Summaries of old mkinfit objects -✔ | 4 | Results for synthetic data established in expertise for UBA (Ranke 2014) [7.4 s] -✔ | 7 1 | Hypothesis tests [33.6 s] +✔ | 4 | Results for synthetic data established in expertise for UBA (Ranke 2014) [7.7 s] +✔ | 7 1 | Hypothesis tests [35.7 s] ──────────────────────────────────────────────────────────────────────────────── test_tests.R:60: skip: We can do a likelihood ratio test using an update specification Reason: This errors out if called by testthat while it works in a normal R session ──────────────────────────────────────────────────────────────────────────────── ══ Results ═════════════════════════════════════════════════════════════════════ -Duration: 117.3 s +Duration: 123.0 s -OK: 136 -Failed: 2 +OK: 138 +Failed: 0 Warnings: 0 Skipped: 1 -- cgit v1.2.1