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authorJohannes Ranke <jranke@uni-bremen.de>2019-10-21 18:52:24 +0200
committerJohannes Ranke <jranke@uni-bremen.de>2019-10-21 18:54:37 +0200
commite09f726134ee273b6b191c1ec6465e6f701b082b (patch)
treeaabc6bec231fb9dd085deef57a030e41ec398bf4
parentbea054418c5310103252f5d243b2d18fcbf7b11f (diff)
Improve some plotting routines, more tests
Static documentation rebuilt by pkgdown
-rw-r--r--R/mkinresplot.R18
-rw-r--r--R/plot.mkinfit.R44
-rw-r--r--check.log8
-rw-r--r--docs/reference/index.html2
-rw-r--r--docs/reference/mkinresplot.html19
-rw-r--r--docs/reference/plot.mkinfit-2.pngbin52842 -> 57593 bytes
-rw-r--r--docs/reference/plot.mkinfit-3.pngbin51545 -> 61280 bytes
-rw-r--r--docs/reference/plot.mkinfit-5.pngbin59560 -> 59080 bytes
-rw-r--r--docs/reference/plot.mkinfit.html12
-rw-r--r--docs/reference/synthetic_data_for_UBA_2014-1.pngbin62975 -> 62550 bytes
-rw-r--r--docs/reference/synthetic_data_for_UBA_2014.html32
-rw-r--r--man/mkinresplot.Rd32
-rw-r--r--man/plot.mkinfit.Rd15
-rw-r--r--man/synthetic_data_for_UBA_2014.Rd10
-rw-r--r--test.log10
-rw-r--r--tests/figs/error-model-fitting/plot-errmod-with-sfo-lin-a.svg237
-rw-r--r--tests/figs/plotting/mkinfit-plot-for-focus-c-with-sep-true.svg44
-rw-r--r--tests/figs/plotting/plot-err-for-focus-d.svg200
-rw-r--r--tests/figs/plotting/plot-res-for-focus-d.svg196
-rw-r--r--tests/testthat/test_error_models.R3
-rw-r--r--tests/testthat/test_plots_summary_twa.R8
21 files changed, 792 insertions, 98 deletions
diff --git a/R/mkinresplot.R b/R/mkinresplot.R
index 739a80e9..974d0549 100644
--- a/R/mkinresplot.R
+++ b/R/mkinresplot.R
@@ -1,4 +1,4 @@
-# Copyright (C) 2008-2014 Johannes Ranke
+# Copyright (C) 2008-2014,2019 Johannes Ranke
# Contact: jranke@uni-bremen.de
# This file is part of the R package mkin
@@ -21,7 +21,10 @@ mkinresplot <- function (object,
obs_vars = names(object$mkinmod$map),
xlim = c(0, 1.1 * max(object$data$time)),
xlab = "Time", ylab = "Residual",
- maxabs = "auto", legend= TRUE, lpos = "topright", ...)
+ maxabs = "auto", legend= TRUE, lpos = "topright",
+ col_obs = "auto", pch_obs = "auto",
+ frame = TRUE,
+ ...)
{
obs_vars_all <- as.character(unique(object$data$variable))
@@ -33,10 +36,17 @@ mkinresplot <- function (object,
if (maxabs == "auto") maxabs = max(abs(residuals), na.rm = TRUE)
- col_obs <- pch_obs <- 1:length(obs_vars)
+ # Set colors and symbols
+ if (col_obs[1] == "auto") {
+ col_obs <- 1:length(obs_vars)
+ }
+
+ if (pch_obs[1] == "auto") {
+ pch_obs <- 1:length(obs_vars)
+ }
names(col_obs) <- names(pch_obs) <- obs_vars
- plot(0, type = "n",
+ plot(0, type = "n", frame = frame,
xlab = xlab, ylab = ylab,
xlim = xlim,
ylim = c(-1.2 * maxabs, 1.2 * maxabs), ...)
diff --git a/R/plot.mkinfit.R b/R/plot.mkinfit.R
index 2a82301f..e39da416 100644
--- a/R/plot.mkinfit.R
+++ b/R/plot.mkinfit.R
@@ -30,8 +30,9 @@ plot.mkinfit <- function(x, fit = x,
show_errplot = FALSE,
maxabs = "auto",
sep_obs = FALSE, rel.height.middle = 0.9,
+ row_layout = FALSE,
lpos = "topright", inset = c(0.05, 0.05),
- show_errmin = FALSE, errmin_digits = 3,
+ show_errmin = FALSE, errmin_digits = 3,
frame = TRUE, ...)
{
if (add && show_residuals) stop("If adding to an existing plot we can not show residuals")
@@ -80,8 +81,9 @@ plot.mkinfit <- function(x, fit = x,
# Layout should be restored afterwards
oldpar <- par(no.readonly = TRUE)
- # If the observed variables are shown separately, do row layout
- if (sep_obs) {
+ # If the observed variables are shown separately, or if requested, do row layout
+ if (sep_obs | row_layout) {
+ row_layout <- TRUE
n_plot_cols = if (show_residuals | show_errplot) 2 else 1
n_plots = n_plot_rows * n_plot_cols
@@ -114,7 +116,7 @@ plot.mkinfit <- function(x, fit = x,
ylim_row = ylim
}
- if (sep_obs) {
+ if (row_layout) {
# Margins for top row of plots when we have more than one row
# Reduce bottom margin by 2.1 - hides x axis legend
if (plot_row == 1 & n_plot_rows > 1) {
@@ -186,24 +188,14 @@ plot.mkinfit <- function(x, fit = x,
mtext(chi2_text, cex = 0.7, line = 0.4)
}
+ if (do_layout & !row_layout) {
+ par(mar = c(5, 4, 0, 2) + 0.1)
+ }
+
# Show residuals if requested
if (show_residuals) {
- residuals <- subset(fit$data, variable %in% row_obs_vars, residual)
- if (maxabs == "auto") {
- maxabs_row = max(abs(residuals), na.rm = TRUE)
- } else {
- maxabs_row = maxabs
- }
- if (!sep_obs) par(mar = c(5, 4, 0, 2) + 0.1)
- plot(0, type="n",
- xlim = xlim,
- ylim = c(-1.2 * maxabs_row, 1.2 * maxabs_row),
- xlab = xlab, ylab = "Residuals", frame = frame)
- for(obs_var in row_obs_vars){
- residuals_plot <- subset(fit$data, variable == obs_var, c("time", "residual"))
- points(residuals_plot, pch = pch_obs[obs_var], col = col_obs[obs_var])
- }
- abline(h = 0, lty = 2)
+ mkinresplot(fit, obs_vars = row_obs_vars, pch_obs = pch_obs[row_obs_vars], col_obs = col_obs[row_obs_vars],
+ legend = FALSE, frame = frame)
}
# Show error model plot if requested
@@ -216,7 +208,15 @@ plot.mkinfit <- function(x, fit = x,
}
# Convenience function for switching on some features of mkinfit
# that have not been made the default to keep compatibility
-plot_sep <- function(fit, sep_obs = TRUE, show_residuals = TRUE, show_errmin = TRUE, ...) {
+plot_sep <- function(fit, show_errmin = TRUE, ...) {
plot.mkinfit(fit, sep_obs = TRUE, show_residuals = TRUE,
- show_errmin = TRUE, ...)
+ show_errmin = show_errmin, ...)
+}
+plot_res <- function(fit, sep_obs = FALSE, show_errmin = sep_obs, ...) {
+ plot.mkinfit(fit, sep_obs = sep_obs, show_errmin = show_errmin,
+ show_residuals = TRUE, row_layout = TRUE, ...)
+}
+plot_err <- function(fit, sep_obs = FALSE, show_errmin = sep_obs, ...) {
+ plot.mkinfit(fit, sep_obs = sep_obs, show_errmin = show_errmin,
+ show_errplot = TRUE, row_layout = TRUE, ...)
}
diff --git a/check.log b/check.log
index d2a6122d..9ef5c22d 100644
--- a/check.log
+++ b/check.log
@@ -24,9 +24,7 @@ Maintainer: ‘Johannes Ranke <jranke@uni-bremen.de>’
* checking for future file timestamps ... OK
* checking ‘build’ directory ... OK
* checking DESCRIPTION meta-information ... OK
-* checking top-level files ... NOTE
-Non-standard file/directory found at top level:
- ‘tests_slow.log’
+* checking top-level files ... OK
* checking for left-over files ... OK
* checking index information ... OK
* checking package subdirectories ... OK
@@ -61,7 +59,7 @@ Non-standard file/directory found at top level:
* checking examples ... NOTE
Examples with CPU or elapsed time > 5s
user system elapsed
-synthetic_data_for_UBA_2014 9.778 0.239 10.019
+synthetic_data_for_UBA_2014 9.755 0.273 10.029
* checking for unstated dependencies in ‘tests’ ... OK
* checking tests ... SKIPPED
* checking for unstated dependencies in vignettes ... OK
@@ -70,7 +68,7 @@ synthetic_data_for_UBA_2014 9.778 0.239 10.019
* checking PDF version of manual ... OK
* DONE
-Status: 2 NOTEs
+Status: 1 NOTE
See
‘/home/jranke/git/mkin/mkin.Rcheck/00check.log’
for details.
diff --git a/docs/reference/index.html b/docs/reference/index.html
index 08ad3d1a..e74a8ad5 100644
--- a/docs/reference/index.html
+++ b/docs/reference/index.html
@@ -175,7 +175,7 @@
<tr>
<td>
- <p><code><a href="plot.mkinfit.html">plot(<i>&lt;mkinfit&gt;</i>)</a></code> <code><a href="plot.mkinfit.html">plot_sep()</a></code> </p>
+ <p><code><a href="plot.mkinfit.html">plot(<i>&lt;mkinfit&gt;</i>)</a></code> <code><a href="plot.mkinfit.html">plot_sep()</a></code> <code><a href="plot.mkinfit.html">plot_res()</a></code> <code><a href="plot.mkinfit.html">plot_err()</a></code> </p>
</td>
<td><p>Plot the observed data and the fitted model of an mkinfit object</p></td>
</tr><tr>
diff --git a/docs/reference/mkinresplot.html b/docs/reference/mkinresplot.html
index d841909f..eea5b218 100644
--- a/docs/reference/mkinresplot.html
+++ b/docs/reference/mkinresplot.html
@@ -146,7 +146,10 @@
<span class='kw'>obs_vars</span> <span class='kw'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/names.html'>names</a></span>(<span class='no'>object</span>$<span class='no'>mkinmod</span>$<span class='no'>map</span>),
<span class='kw'>xlim</span> <span class='kw'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span>(<span class='fl'>0</span>, <span class='fl'>1.1</span> * <span class='fu'><a href='https://rdrr.io/r/base/Extremes.html'>max</a></span>(<span class='no'>object</span>$<span class='no'>data</span>$<span class='no'>time</span>)),
<span class='kw'>xlab</span> <span class='kw'>=</span> <span class='st'>"Time"</span>, <span class='kw'>ylab</span> <span class='kw'>=</span> <span class='st'>"Residual"</span>,
- <span class='kw'>maxabs</span> <span class='kw'>=</span> <span class='st'>"auto"</span>, <span class='kw'>legend</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>, <span class='kw'>lpos</span> <span class='kw'>=</span> <span class='st'>"topright"</span>, <span class='no'>...</span>)</pre>
+ <span class='kw'>maxabs</span> <span class='kw'>=</span> <span class='st'>"auto"</span>, <span class='kw'>legend</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>, <span class='kw'>lpos</span> <span class='kw'>=</span> <span class='st'>"topright"</span>,
+ <span class='kw'>col_obs</span> <span class='kw'>=</span> <span class='st'>"auto"</span>, <span class='kw'>pch_obs</span> <span class='kw'>=</span> <span class='st'>"auto"</span>,
+ <span class='kw'>frame</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>,
+ <span class='no'>...</span>)</pre>
<h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2>
<table class="ref-arguments">
@@ -184,7 +187,19 @@
<tr>
<th>lpos</th>
<td><p>Where should the legend be placed? Default is "topright". Will be passed on to
- <code><a href='https://rdrr.io/r/graphics/legend.html'>legend</a></code>.</p></td>
+ <code><a href='https://rdrr.io/r/graphics/legend.html'>legend</a></code>.</p></td>
+ </tr>
+ <tr>
+ <th>col_obs</th>
+ <td><p>Colors for the observed variables.</p></td>
+ </tr>
+ <tr>
+ <th>pch_obs</th>
+ <td><p>Symbols to be used for the observed variables.</p></td>
+ </tr>
+ <tr>
+ <th>frame</th>
+ <td><p>Should a frame be drawn around the plots?</p></td>
</tr>
<tr>
<th>...</th>
diff --git a/docs/reference/plot.mkinfit-2.png b/docs/reference/plot.mkinfit-2.png
index 84bec348..6910ae47 100644
--- a/docs/reference/plot.mkinfit-2.png
+++ b/docs/reference/plot.mkinfit-2.png
Binary files differ
diff --git a/docs/reference/plot.mkinfit-3.png b/docs/reference/plot.mkinfit-3.png
index 557046da..8d399598 100644
--- a/docs/reference/plot.mkinfit-3.png
+++ b/docs/reference/plot.mkinfit-3.png
Binary files differ
diff --git a/docs/reference/plot.mkinfit-5.png b/docs/reference/plot.mkinfit-5.png
index 36fcff6a..20f30221 100644
--- a/docs/reference/plot.mkinfit-5.png
+++ b/docs/reference/plot.mkinfit-5.png
Binary files differ
diff --git a/docs/reference/plot.mkinfit.html b/docs/reference/plot.mkinfit.html
index 795262f8..df01a00b 100644
--- a/docs/reference/plot.mkinfit.html
+++ b/docs/reference/plot.mkinfit.html
@@ -159,9 +159,12 @@ If the current plot device is a tikz device,
<span class='kw'>show_errplot</span> <span class='kw'>=</span> <span class='fl'>FALSE</span>,
<span class='kw'>maxabs</span> <span class='kw'>=</span> <span class='st'>"auto"</span>,
<span class='kw'>sep_obs</span> <span class='kw'>=</span> <span class='fl'>FALSE</span>, <span class='kw'>rel.height.middle</span> <span class='kw'>=</span> <span class='fl'>0.9</span>,
+ <span class='kw'>row_layout</span> <span class='kw'>=</span> <span class='fl'>FALSE</span>,
<span class='kw'>lpos</span> <span class='kw'>=</span> <span class='st'>"topright"</span>, <span class='kw'>inset</span> <span class='kw'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span>(<span class='fl'>0.05</span>, <span class='fl'>0.05</span>),
<span class='kw'>show_errmin</span> <span class='kw'>=</span> <span class='fl'>FALSE</span>, <span class='kw'>errmin_digits</span> <span class='kw'>=</span> <span class='fl'>3</span>, <span class='kw'>frame</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>, <span class='no'>...</span>)
-<span class='fu'>plot_sep</span>(<span class='no'>fit</span>, <span class='kw'>sep_obs</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>, <span class='kw'>show_residuals</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>, <span class='kw'>show_errmin</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>, <span class='no'>...</span>)</pre>
+<span class='fu'>plot_sep</span>(<span class='no'>fit</span>, <span class='kw'>show_errmin</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>, <span class='no'>...</span>)
+<span class='fu'>plot_res</span>(<span class='no'>fit</span>, <span class='kw'>sep_obs</span> <span class='kw'>=</span> <span class='fl'>FALSE</span>, <span class='kw'>show_errmin</span> <span class='kw'>=</span> <span class='no'>sep_obs</span>, <span class='no'>...</span>)
+<span class='fu'>plot_err</span>(<span class='no'>fit</span>, <span class='kw'>sep_obs</span> <span class='kw'>=</span> <span class='fl'>FALSE</span>, <span class='kw'>show_errmin</span> <span class='kw'>=</span> <span class='no'>sep_obs</span>, <span class='no'>...</span>)</pre>
<h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2>
<table class="ref-arguments">
@@ -245,6 +248,11 @@ If the current plot device is a tikz device,
<td><p>The relative height of the middle plot, if more than two rows of plots are shown.</p></td>
</tr>
<tr>
+ <th>row_layout</th>
+ <td><p>Should we use a row layout where the residual plot or the error model plot is shown
+ to the right?</p></td>
+ </tr>
+ <tr>
<th>lpos</th>
<td><p>Position(s) of the legend(s). Passed to <code><a href='https://rdrr.io/r/graphics/legend.html'>legend</a></code> as the first argument.
If not length one, this should be of the same length as the obs_var argument.</p></td>
@@ -281,7 +289,7 @@ If the current plot device is a tikz device,
<span class='co'># parent to sink included</span>
<span class='co'># \dontrun{</span>
<span class='no'>SFO_SFO</span> <span class='kw'>&lt;-</span> <span class='fu'><a href='mkinmod.html'>mkinmod</a></span>(<span class='kw'>parent</span> <span class='kw'>=</span> <span class='fu'><a href='mkinsub.html'>mkinsub</a></span>(<span class='st'>"SFO"</span>, <span class='st'>"m1"</span>, <span class='kw'>full</span> <span class='kw'>=</span> <span class='st'>"Parent"</span>),
- <span class='kw'>m1</span> <span class='kw'>=</span> <span class='fu'><a href='mkinsub.html'>mkinsub</a></span>(<span class='st'>"SFO"</span>, <span class='kw'>full</span> <span class='kw'>=</span> <span class='st'>"Metabolite M1"</span> ))</div><div class='output co'>#&gt; <span class='message'>Successfully compiled differential equation model from auto-generated C code.</span></div><div class='input'><span class='no'>fit</span> <span class='kw'>&lt;-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span>(<span class='no'>SFO_SFO</span>, <span class='no'>FOCUS_2006_D</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>, <span class='kw'>error_model</span> <span class='kw'>=</span> <span class='st'>"tc"</span>)</div><div class='output co'>#&gt; <span class='warning'>Warning: Observations with value of zero were removed from the data</span></div><div class='input'><span class='fu'><a href='https://rdrr.io/r/graphics/plot.html'>plot</a></span>(<span class='no'>fit</span>)</div><div class='img'><img src='plot.mkinfit-1.png' alt='' width='700' height='433' /></div><div class='input'><span class='fu'><a href='https://rdrr.io/r/graphics/plot.html'>plot</a></span>(<span class='no'>fit</span>, <span class='kw'>show_residuals</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)</div><div class='img'><img src='plot.mkinfit-2.png' alt='' width='700' height='433' /></div><div class='input'><span class='fu'><a href='https://rdrr.io/r/graphics/plot.html'>plot</a></span>(<span class='no'>fit</span>, <span class='kw'>show_errplot</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)</div><div class='img'><img src='plot.mkinfit-3.png' alt='' width='700' height='433' /></div><div class='input'>
+ <span class='kw'>m1</span> <span class='kw'>=</span> <span class='fu'><a href='mkinsub.html'>mkinsub</a></span>(<span class='st'>"SFO"</span>, <span class='kw'>full</span> <span class='kw'>=</span> <span class='st'>"Metabolite M1"</span> ))</div><div class='output co'>#&gt; <span class='message'>Successfully compiled differential equation model from auto-generated C code.</span></div><div class='input'><span class='no'>fit</span> <span class='kw'>&lt;-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span>(<span class='no'>SFO_SFO</span>, <span class='no'>FOCUS_2006_D</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>, <span class='kw'>error_model</span> <span class='kw'>=</span> <span class='st'>"tc"</span>)</div><div class='output co'>#&gt; <span class='warning'>Warning: Observations with value of zero were removed from the data</span></div><div class='input'><span class='fu'><a href='https://rdrr.io/r/graphics/plot.html'>plot</a></span>(<span class='no'>fit</span>)</div><div class='img'><img src='plot.mkinfit-1.png' alt='' width='700' height='433' /></div><div class='input'><span class='fu'>plot_res</span>(<span class='no'>fit</span>)</div><div class='img'><img src='plot.mkinfit-2.png' alt='' width='700' height='433' /></div><div class='input'><span class='fu'>plot_err</span>(<span class='no'>fit</span>)</div><div class='img'><img src='plot.mkinfit-3.png' alt='' width='700' height='433' /></div><div class='input'>
<span class='co'># Show the observed variables separately</span>
<span class='fu'><a href='https://rdrr.io/r/graphics/plot.html'>plot</a></span>(<span class='no'>fit</span>, <span class='kw'>sep_obs</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>, <span class='kw'>lpos</span> <span class='kw'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span>(<span class='st'>"topright"</span>, <span class='st'>"bottomright"</span>))</div><div class='img'><img src='plot.mkinfit-4.png' alt='' width='700' height='433' /></div><div class='input'>
<span class='co'># Show the observed variables separately, with residuals</span>
diff --git a/docs/reference/synthetic_data_for_UBA_2014-1.png b/docs/reference/synthetic_data_for_UBA_2014-1.png
index 9d8c0931..201ef0fd 100644
--- a/docs/reference/synthetic_data_for_UBA_2014-1.png
+++ b/docs/reference/synthetic_data_for_UBA_2014-1.png
Binary files differ
diff --git a/docs/reference/synthetic_data_for_UBA_2014.html b/docs/reference/synthetic_data_for_UBA_2014.html
index a639151b..ddc88c21 100644
--- a/docs/reference/synthetic_data_for_UBA_2014.html
+++ b/docs/reference/synthetic_data_for_UBA_2014.html
@@ -278,12 +278,13 @@ Compare also the code in the example section to see the degradation models." />
<span class='co'># This is just one example of an evaluation using the kinetic model used for</span>
<span class='co'># the generation of the data</span>
-<span class='no'>fit</span> <span class='kw'>&lt;-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span>(<span class='no'>m_synth_SFO_lin</span>, <span class='no'>synthetic_data_for_UBA_2014</span><span class='kw'>[[</span><span class='fl'>1</span>]]$<span class='no'>data</span>,
- <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)
-<span class='fu'><a href='plot.mkinfit.html'>plot_sep</a></span>(<span class='no'>fit</span>)</div><div class='img'><img src='synthetic_data_for_UBA_2014-1.png' alt='' width='700' height='433' /></div><div class='input'><span class='fu'><a href='https://rdrr.io/r/base/summary.html'>summary</a></span>(<span class='no'>fit</span>)</div><div class='output co'>#&gt; mkin version used for fitting: 0.9.49.6
+<span class='co'># \dontrun{</span>
+ <span class='no'>fit</span> <span class='kw'>&lt;-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span>(<span class='no'>m_synth_SFO_lin</span>, <span class='no'>synthetic_data_for_UBA_2014</span><span class='kw'>[[</span><span class='fl'>1</span>]]$<span class='no'>data</span>,
+ <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)
+ <span class='fu'><a href='plot.mkinfit.html'>plot_sep</a></span>(<span class='no'>fit</span>)</div><div class='img'><img src='synthetic_data_for_UBA_2014-1.png' alt='' width='700' height='433' /></div><div class='input'> <span class='fu'><a href='https://rdrr.io/r/base/summary.html'>summary</a></span>(<span class='no'>fit</span>)</div><div class='output co'>#&gt; mkin version used for fitting: 0.9.49.6
#&gt; R version used for fitting: 3.6.1
-#&gt; Date of fit: Thu Sep 19 12:48:50 2019
-#&gt; Date of summary: Thu Sep 19 12:48:50 2019
+#&gt; Date of fit: Mon Oct 21 18:52:20 2019
+#&gt; Date of summary: Mon Oct 21 18:52:20 2019
#&gt;
#&gt; Equations:
#&gt; d_parent/dt = - k_parent * parent
@@ -292,21 +293,20 @@ Compare also the code in the example section to see the degradation models." />
#&gt;
#&gt; Model predictions using solution type deSolve
#&gt;
-#&gt; Fitted using 847 model solutions performed in 2.49 s
+#&gt; Fitted using 847 model solutions performed in 2.42 s
#&gt;
#&gt; Error model: Constant variance
#&gt;
#&gt; Error model algorithm: OLS
#&gt;
#&gt; Starting values for parameters to be optimised:
-#&gt; value type
-#&gt; parent_0 101.350000 state
-#&gt; k_parent 0.100000 deparm
-#&gt; k_M1 0.100100 deparm
-#&gt; k_M2 0.100200 deparm
-#&gt; f_parent_to_M1 0.500000 deparm
-#&gt; f_M1_to_M2 0.500000 deparm
-#&gt; sigma 2.273126 error
+#&gt; value type
+#&gt; parent_0 101.3500 state
+#&gt; k_parent 0.1000 deparm
+#&gt; k_M1 0.1001 deparm
+#&gt; k_M2 0.1002 deparm
+#&gt; f_parent_to_M1 0.5000 deparm
+#&gt; f_M1_to_M2 0.5000 deparm
#&gt;
#&gt; Starting values for the transformed parameters actually optimised:
#&gt; value lower upper
@@ -316,7 +316,6 @@ Compare also the code in the example section to see the degradation models." />
#&gt; log_k_M2 -2.300587 -Inf Inf
#&gt; f_parent_ilr_1 0.000000 -Inf Inf
#&gt; f_M1_ilr_1 0.000000 -Inf Inf
-#&gt; sigma 2.273126 0 Inf
#&gt;
#&gt; Fixed parameter values:
#&gt; value type
@@ -424,7 +423,8 @@ Compare also the code in the example section to see the degradation models." />
#&gt; 90 M2 10.6 1.013e+01 0.47130
#&gt; 90 M2 10.8 1.013e+01 0.67130
#&gt; 120 M2 9.8 5.521e+00 4.27893
-#&gt; 120 M2 3.3 5.521e+00 -2.22107</div></pre>
+#&gt; 120 M2 3.3 5.521e+00 -2.22107</div><div class='input'># }
+</div></pre>
</div>
<div class="col-md-3 hidden-xs hidden-sm" id="sidebar">
<h2>Contents</h2>
diff --git a/man/mkinresplot.Rd b/man/mkinresplot.Rd
index cdcfbd37..e788d836 100644
--- a/man/mkinresplot.Rd
+++ b/man/mkinresplot.Rd
@@ -14,38 +14,50 @@
obs_vars = names(object$mkinmod$map),
xlim = c(0, 1.1 * max(object$data$time)),
xlab = "Time", ylab = "Residual",
- maxabs = "auto", legend = TRUE, lpos = "topright", ...)
+ maxabs = "auto", legend = TRUE, lpos = "topright",
+ col_obs = "auto", pch_obs = "auto",
+ frame = TRUE,
+ ...)
}
\arguments{
\item{object}{
A fit represented in an \code{\link{mkinfit}} object.
-}
+ }
\item{obs_vars}{
A character vector of names of the observed variables for which residuals
should be plotted. Defaults to all observed variables in the model
-}
+ }
\item{xlim}{
plot range in x direction.
}
\item{xlab}{
Label for the x axis. Defaults to "Time [days]".
-}
+ }
\item{ylab}{
Label for the y axis. Defaults to "Residual [\% of applied radioactivity]".
-}
+ }
\item{maxabs}{
Maximum absolute value of the residuals. This is used for the scaling of
the y axis and defaults to "auto".
-}
+ }
\item{legend}{
Should a legend be plotted? Defaults to "TRUE".
-}
+ }
\item{lpos}{
Where should the legend be placed? Default is "topright". Will be passed on to
- \code{\link{legend}}. }
+ \code{\link{legend}}. }
+ \item{col_obs}{
+ Colors for the observed variables.
+ }
+ \item{pch_obs}{
+ Symbols to be used for the observed variables.
+ }
+ \item{frame}{
+ Should a frame be drawn around the plots?
+ }
\item{\dots}{
- further arguments passed to \code{\link{plot}}.
-}
+ further arguments passed to \code{\link{plot}}.
+ }
}
\value{
Nothing is returned by this function, as it is called for its side effect, namely to produce a plot.
diff --git a/man/plot.mkinfit.Rd b/man/plot.mkinfit.Rd
index a4f47073..e7b456a1 100644
--- a/man/plot.mkinfit.Rd
+++ b/man/plot.mkinfit.Rd
@@ -1,6 +1,8 @@
\name{plot.mkinfit}
\alias{plot.mkinfit}
\alias{plot_sep}
+\alias{plot_res}
+\alias{plot_err}
\title{
Plot the observed data and the fitted model of an mkinfit object
}
@@ -26,9 +28,12 @@
show_errplot = FALSE,
maxabs = "auto",
sep_obs = FALSE, rel.height.middle = 0.9,
+ row_layout = FALSE,
lpos = "topright", inset = c(0.05, 0.05),
show_errmin = FALSE, errmin_digits = 3, frame = TRUE, \dots)
-plot_sep(fit, sep_obs = TRUE, show_residuals = TRUE, show_errmin = TRUE, \dots)
+plot_sep(fit, show_errmin = TRUE, \dots)
+plot_res(fit, sep_obs = FALSE, show_errmin = sep_obs, \dots)
+plot_err(fit, sep_obs = FALSE, show_errmin = sep_obs, \dots)
}
\arguments{
\item{x}{
@@ -92,6 +97,10 @@ plot_sep(fit, sep_obs = TRUE, show_residuals = TRUE, show_errmin = TRUE, \dots)
\item{rel.height.middle}{
The relative height of the middle plot, if more than two rows of plots are shown.
}
+ \item{row_layout}{
+ Should we use a row layout where the residual plot or the error model plot is shown
+ to the right?
+ }
\item{lpos}{
Position(s) of the legend(s). Passed to \code{\link{legend}} as the first argument.
If not length one, this should be of the same length as the obs_var argument.
@@ -123,8 +132,8 @@ SFO_SFO <- mkinmod(parent = mkinsub("SFO", "m1", full = "Parent"),
m1 = mkinsub("SFO", full = "Metabolite M1" ))
fit <- mkinfit(SFO_SFO, FOCUS_2006_D, quiet = TRUE, error_model = "tc")
plot(fit)
-plot(fit, show_residuals = TRUE)
-plot(fit, show_errplot = TRUE)
+plot_res(fit)
+plot_err(fit)
# Show the observed variables separately
plot(fit, sep_obs = TRUE, lpos = c("topright", "bottomright"))
diff --git a/man/synthetic_data_for_UBA_2014.Rd b/man/synthetic_data_for_UBA_2014.Rd
index cfab5622..d68f45d4 100644
--- a/man/synthetic_data_for_UBA_2014.Rd
+++ b/man/synthetic_data_for_UBA_2014.Rd
@@ -138,9 +138,11 @@ d_synth_err_names = c(
# This is just one example of an evaluation using the kinetic model used for
# the generation of the data
-fit <- mkinfit(m_synth_SFO_lin, synthetic_data_for_UBA_2014[[1]]$data,
- quiet = TRUE)
-plot_sep(fit)
-summary(fit)
+\dontrun{
+ fit <- mkinfit(m_synth_SFO_lin, synthetic_data_for_UBA_2014[[1]]$data,
+ quiet = TRUE)
+ plot_sep(fit)
+ summary(fit)
+}
}
\keyword{datasets}
diff --git a/test.log b/test.log
index fd292165..124d84e8 100644
--- a/test.log
+++ b/test.log
@@ -3,9 +3,9 @@ Testing mkin
✔ | OK F W S | Context
✔ | 2 | Export dataset for reading into CAKE
✔ | 3 | Confidence intervals and p-values
-✔ | 10 | Error model fitting [51.6 s]
+✔ | 11 | Error model fitting [51.4 s]
✔ | 5 | Calculation of FOCUS chi2 error levels [3.5 s]
-✔ | 13 | Results for FOCUS D established in expertise for UBA (Ranke 2014) [3.4 s]
+✔ | 13 | Results for FOCUS D established in expertise for UBA (Ranke 2014) [3.5 s]
✔ | 6 | Test fitting the decline of metabolites from their maximum [0.9 s]
✔ | 1 | Fitting the logistic model [0.9 s]
✔ | 1 | Test dataset class mkinds used in gmkin
@@ -15,7 +15,7 @@ Testing mkin
✔ | 16 | Evaluations according to 2015 NAFTA guidance [4.0 s]
✔ | 4 | Calculation of maximum time weighted average concentrations (TWAs) [2.2 s]
✔ | 2 | Summary
-✔ | 5 | Plotting [0.3 s]
+✔ | 7 | Plotting [0.4 s]
✔ | 3 | AIC calculation
✔ | 2 | Complex test case from Schaefer et al. (2007) Piacenza paper [5.3 s]
✔ | 4 | Fitting the SFORB model [1.7 s]
@@ -23,9 +23,9 @@ Testing mkin
✔ | 4 | Results for synthetic data established in expertise for UBA (Ranke 2014) [7.1 s]
══ Results ═════════════════════════════════════════════════════════════════════
-Duration: 84.4 s
+Duration: 84.3 s
-OK: 106
+OK: 109
Failed: 0
Warnings: 0
Skipped: 0
diff --git a/tests/figs/error-model-fitting/plot-errmod-with-sfo-lin-a.svg b/tests/figs/error-model-fitting/plot-errmod-with-sfo-lin-a.svg
new file mode 100644
index 00000000..88e7aaee
--- /dev/null
+++ b/tests/figs/error-model-fitting/plot-errmod-with-sfo-lin-a.svg
@@ -0,0 +1,237 @@
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index 2beb762c..327161da 100644
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diff --git a/tests/testthat/test_error_models.R b/tests/testthat/test_error_models.R
index ba40bae6..40c1e6e8 100644
--- a/tests/testthat/test_error_models.R
+++ b/tests/testthat/test_error_models.R
@@ -23,6 +23,9 @@ test_that("Error model 'obs' works", {
fit_obs_1 <- mkinfit(m_synth_SFO_lin, SFO_lin_a, error_model = "obs", quiet = TRUE)
parms_2 <- round(fit_obs_1$bparms.optim, c(1, 4, 4, 4, 4, 4))
expect_equivalent(parms_2, c(102.1, 0.7389, 0.2982, 0.0203, 0.7677, 0.7246))
+ plot_errmod_fit_obs_1 <- function() plot_err(fit_obs_1, sep_obs = FALSE)
+
+ vdiffr::expect_doppelganger("plot_errmod with SFO_lin_a", plot_errmod_fit_obs_1)
})
test_that("Error model 'tc' works", {
diff --git a/tests/testthat/test_plots_summary_twa.R b/tests/testthat/test_plots_summary_twa.R
index 1dcf49ac..68ac7dcd 100644
--- a/tests/testthat/test_plots_summary_twa.R
+++ b/tests/testthat/test_plots_summary_twa.R
@@ -59,7 +59,7 @@ test_that("Summaries are reproducible", {
test_summary$Corr <- signif(test_summary$Corr, 1)
expect_known_output(print(test_summary), "summary_DFOP_FOCUS_C.txt")
- test_summary_2 <- summary(f_sfo_sfo,)
+ test_summary_2 <- summary(f_sfo_sfo)
test_summary_2$fit_version <- "Dummy 0.0 for testing"
test_summary_2$fit_Rversion <- "Dummy R version for testing"
test_summary_2$date.fit <- "Dummy date for testing"
@@ -75,19 +75,23 @@ test_that("Summaries are reproducible", {
context("Plotting")
-test_that("Plotting mmkin objects is reproducible", {
+test_that("Plotting mkinfit and mmkin objects is reproducible", {
skip_on_cran()
plot_sep_FOCUS_C_SFO <- function() plot_sep(fits[["SFO", "FOCUS_C"]])
mkinparplot_FOCUS_C_SFO <- function() mkinparplot(fits[["SFO", "FOCUS_C"]])
mkinerrplot_FOCUS_C_SFO <- function() mkinerrplot(fits[["SFO", "FOCUS_C"]])
mmkin_FOCUS_C <- function() plot(fits[, "FOCUS_C"])
mmkin_SFO <- function() plot(fits["SFO",])
+ plot_res_sfo_sfo <- function() plot_res(f_sfo_sfo)
+ plot_err_sfo_sfo <- function() plot_err(f_sfo_sfo)
vdiffr::expect_doppelganger("mkinfit plot for FOCUS C with sep = TRUE", plot_sep_FOCUS_C_SFO)
vdiffr::expect_doppelganger("mkinparplot for FOCUS C SFO", mkinparplot_FOCUS_C_SFO)
vdiffr::expect_doppelganger("mkinerrplot for FOCUS C SFO", mkinerrplot_FOCUS_C_SFO)
vdiffr::expect_doppelganger("mmkin plot for FOCUS C", mmkin_FOCUS_C)
vdiffr::expect_doppelganger("mmkin plot for SFO (FOCUS C and D)", mmkin_SFO)
+ vdiffr::expect_doppelganger("plot_res for FOCUS D", plot_res_sfo_sfo)
+ vdiffr::expect_doppelganger("plot_err for FOCUS D", plot_err_sfo_sfo)
})
context("AIC calculation")

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