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| -rw-r--r-- | _pkgdown.yml | 1 | ||||
| -rw-r--r-- | docs/articles/web_only/compiled_models.html | 12 | ||||
| -rw-r--r-- | docs/news/index.html | 1 | ||||
| -rw-r--r-- | docs/reference/index.html | 6 | ||||
| -rw-r--r-- | docs/reference/mkinsub.html | 11 | ||||
| -rw-r--r-- | docs/reference/nlme.html | 199 | ||||
| -rw-r--r-- | docs/sitemap.xml | 3 | 
7 files changed, 222 insertions, 11 deletions
| diff --git a/_pkgdown.yml b/_pkgdown.yml index 6bb05b3e..0cecdc30 100644 --- a/_pkgdown.yml +++ b/_pkgdown.yml @@ -33,6 +33,7 @@ reference:        - "`[.mmkin`"        - plot.mmkin        - AIC.mmkin +      - nlme_function    - title: Datasets and known results      contents:        - FOCUS_2006_A diff --git a/docs/articles/web_only/compiled_models.html b/docs/articles/web_only/compiled_models.html index 6daabd5e..0e58496e 100644 --- a/docs/articles/web_only/compiled_models.html +++ b/docs/articles/web_only/compiled_models.html @@ -90,7 +90,7 @@        <h1>Performance benefit by using compiled model definitions in mkin</h1>                          <h4 class="author">Johannes Ranke</h4> -            <h4 class="date">2020-04-02</h4> +            <h4 class="date">2020-04-04</h4>        <div class="hidden name"><code>compiled_models.Rmd</code></div> @@ -139,9 +139,9 @@  <a class="sourceLine" id="cb6-15" title="15">  <span class="kw"><a href="https://rdrr.io/r/base/print.html">print</a></span>(<span class="st">"R package rbenchmark is not available"</span>)</a>  <a class="sourceLine" id="cb6-16" title="16">}</a></code></pre></div>  <pre><code>##                    test replications elapsed relative user.self sys.self -## 3     deSolve, compiled            3   3.239    1.000     3.237        0 -## 1 deSolve, not compiled            3  29.758    9.187    29.739        0 -## 2      Eigenvalue based            3   4.558    1.407     4.554        0 +## 3     deSolve, compiled            3   3.107    1.000     3.105        0 +## 1 deSolve, not compiled            3  28.765    9.258    28.749        0 +## 2      Eigenvalue based            3   4.446    1.431     4.445        0  ##   user.child sys.child  ## 3          0         0  ## 1          0         0 @@ -170,8 +170,8 @@  <a class="sourceLine" id="cb8-16" title="16">}</a></code></pre></div>  <pre><code>## Successfully compiled differential equation model from auto-generated C code.</code></pre>  <pre><code>##                    test replications elapsed relative user.self sys.self -## 2     deSolve, compiled            3   4.984    1.000     4.981    0.000 -## 1 deSolve, not compiled            3  55.358   11.107    55.326    0.003 +## 2     deSolve, compiled            3   4.844    1.000     4.842        0 +## 1 deSolve, not compiled            3  53.833   11.113    53.807        0  ##   user.child sys.child  ## 2          0         0  ## 1          0         0</code></pre> diff --git a/docs/news/index.html b/docs/news/index.html index fc9a0765..cb5e6df3 100644 --- a/docs/news/index.html +++ b/docs/news/index.html @@ -134,6 +134,7 @@  <a href="#mkin-0-9-49-10-unreleased" class="anchor"></a>mkin 0.9.49.10 (unreleased)<small> Unreleased </small>  </h1>  <ul> +<li><p>‘mean_degparms, nlme_data, nlme_function’: Three new functions to facilitate building nlme models from mmkin row objects</p></li>  <li><p>‘endpoints’: Don’t return the SFORB list component if it’s empty. This reduces distraction and complies with the documentation</p></li>  <li><p>Article in compiled models: Add some platform specific code and suppress warnings about zero values being removed from the FOCUS D dataset</p></li>  <li><p>‘plot.mmkin’: Add the argument ‘standardized’ to avoid warnings that occurred when it was passed as part of the additional arguments captured by the dots (…)</p></li> diff --git a/docs/reference/index.html b/docs/reference/index.html index 6ccc9255..a3547e29 100644 --- a/docs/reference/index.html +++ b/docs/reference/index.html @@ -270,6 +270,12 @@ of an mmkin object</p></td>            <p><code><a href="AIC.mmkin.html">AIC(<i><mmkin></i>)</a></code> <code><a href="AIC.mmkin.html">BIC(<i><mmkin></i>)</a></code> </p>          </td>          <td><p>Calculate the AIC for a column of an mmkin object</p></td> +      </tr><tr> +         +        <td> +          <p><code><a href="nlme.html">mean_degparms()</a></code> <code><a href="nlme.html">nlme_data()</a></code> <code><a href="nlme.html">nlme_function()</a></code> </p> +        </td> +        <td><p>Estimation of parameter distributions from mmkin row objects</p></td>        </tr>      </tbody><tbody>        <tr> diff --git a/docs/reference/mkinsub.html b/docs/reference/mkinsub.html index e38c153c..b3be7c2c 100644 --- a/docs/reference/mkinsub.html +++ b/docs/reference/mkinsub.html @@ -70,7 +70,7 @@ mkinmod." />        </button>        <span class="navbar-brand">          <a class="navbar-link" href="../index.html">mkin</a> -        <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">0.9.49.6</span> +        <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">0.9.49.9</span>        </span>      </div> @@ -181,10 +181,11 @@ results on other operating systems or system configurations.</p></td>  <span class='no'>SFO_SFO.2</span> <span class='kw'><-</span> <span class='fu'><a href='mkinmod.html'>mkinmod</a></span>(    <span class='kw'>parent</span> <span class='kw'>=</span> <span class='fu'>mkinsub</span>(<span class='st'>"SFO"</span>, <span class='st'>"m1"</span>),    <span class='kw'>m1</span> <span class='kw'>=</span> <span class='fu'>mkinsub</span>(<span class='st'>"SFO"</span>))</div><div class='output co'>#> <span class='message'>Successfully compiled differential equation model from auto-generated C code.</span></div><div class='input'> -<span class='co'># Now supplying full names</span> -<span class='no'>SFO_SFO.2</span> <span class='kw'><-</span> <span class='fu'><a href='mkinmod.html'>mkinmod</a></span>( -  <span class='kw'>parent</span> <span class='kw'>=</span> <span class='fu'>mkinsub</span>(<span class='st'>"SFO"</span>, <span class='st'>"m1"</span>, <span class='kw'>full_name</span> <span class='kw'>=</span> <span class='st'>"Test compound"</span>), -  <span class='kw'>m1</span> <span class='kw'>=</span> <span class='fu'>mkinsub</span>(<span class='st'>"SFO"</span>, <span class='kw'>full_name</span> <span class='kw'>=</span> <span class='st'>"Metabolite M1"</span>))</div><div class='output co'>#> <span class='message'>Successfully compiled differential equation model from auto-generated C code.</span></div><div class='input'> +<span class='co'># \dontrun{</span> +  <span class='co'># Now supplying full names</span> +  <span class='no'>SFO_SFO.2</span> <span class='kw'><-</span> <span class='fu'><a href='mkinmod.html'>mkinmod</a></span>( +    <span class='kw'>parent</span> <span class='kw'>=</span> <span class='fu'>mkinsub</span>(<span class='st'>"SFO"</span>, <span class='st'>"m1"</span>, <span class='kw'>full_name</span> <span class='kw'>=</span> <span class='st'>"Test compound"</span>), +    <span class='kw'>m1</span> <span class='kw'>=</span> <span class='fu'>mkinsub</span>(<span class='st'>"SFO"</span>, <span class='kw'>full_name</span> <span class='kw'>=</span> <span class='st'>"Metabolite M1"</span>))</div><div class='output co'>#> <span class='message'>Successfully compiled differential equation model from auto-generated C code.</span></div><div class='input'> # }  </div></pre>    </div>    <div class="col-md-3 hidden-xs hidden-sm" id="sidebar"> diff --git a/docs/reference/nlme.html b/docs/reference/nlme.html new file mode 100644 index 00000000..b939d1c3 --- /dev/null +++ b/docs/reference/nlme.html @@ -0,0 +1,199 @@ +<!-- Generated by pkgdown: do not edit by hand --> +<!DOCTYPE html> +<html lang="en"> +  <head> +  <meta charset="utf-8"> +<meta http-equiv="X-UA-Compatible" content="IE=edge"> +<meta name="viewport" content="width=device-width, initial-scale=1.0"> + +<title>Estimation of parameter distributions from mmkin row objects — mean_degparms • mkin</title> + + +<!-- jquery --> +<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.3.1/jquery.min.js" integrity="sha256-FgpCb/KJQlLNfOu91ta32o/NMZxltwRo8QtmkMRdAu8=" crossorigin="anonymous"></script> +<!-- Bootstrap --> + +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/css/bootstrap.min.css" integrity="sha256-916EbMg70RQy9LHiGkXzG8hSg9EdNy97GazNG/aiY1w=" crossorigin="anonymous" /> + +<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha256-U5ZEeKfGNOja007MMD3YBI0A3OSZOQbeG6z2f2Y0hu8=" crossorigin="anonymous"></script> + +<!-- Font Awesome icons --> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.7.1/css/all.min.css" integrity="sha256-nAmazAk6vS34Xqo0BSrTb+abbtFlgsFK7NKSi6o7Y78=" crossorigin="anonymous" /> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.7.1/css/v4-shims.min.css" integrity="sha256-6qHlizsOWFskGlwVOKuns+D1nB6ssZrHQrNj1wGplHc=" crossorigin="anonymous" /> + +<!-- clipboard.js --> +<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.4/clipboard.min.js" integrity="sha256-FiZwavyI2V6+EXO1U+xzLG3IKldpiTFf3153ea9zikQ=" crossorigin="anonymous"></script> + +<!-- headroom.js --> +<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.9.4/headroom.min.js" integrity="sha256-DJFC1kqIhelURkuza0AvYal5RxMtpzLjFhsnVIeuk+U=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.9.4/jQuery.headroom.min.js" integrity="sha256-ZX/yNShbjqsohH1k95liqY9Gd8uOiE1S4vZc+9KQ1K4=" crossorigin="anonymous"></script> + +<!-- pkgdown --> +<link href="../pkgdown.css" rel="stylesheet"> +<script src="../pkgdown.js"></script> + + + + +<meta property="og:title" content="Estimation of parameter distributions from mmkin row objects — mean_degparms" /> +<meta property="og:description" content="This function sets up and attempts to fit a mixed effects model to +an mmkin row object. An mmkin row object is essentially a list of mkinfit +objects that have been obtained by fitting the same model to a list of +datasets." /> +<meta name="twitter:card" content="summary" /> + + + + +<!-- mathjax --> +<script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/MathJax.js" integrity="sha256-nvJJv9wWKEm88qvoQl9ekL2J+k/RWIsaSScxxlsrv8k=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/config/TeX-AMS-MML_HTMLorMML.js" integrity="sha256-84DKXVJXs0/F8OTMzX4UR909+jtl4G7SPypPavF+GfA=" crossorigin="anonymous"></script> + +<!--[if lt IE 9]> +<script src="https://oss.maxcdn.com/html5shiv/3.7.3/html5shiv.min.js"></script> +<script src="https://oss.maxcdn.com/respond/1.4.2/respond.min.js"></script> +<![endif]--> + + + +  </head> + +  <body> +    <div class="container template-reference-topic"> +      <header> +      <div class="navbar navbar-default navbar-fixed-top" role="navigation"> +  <div class="container"> +    <div class="navbar-header"> +      <button type="button" class="navbar-toggle collapsed" data-toggle="collapse" data-target="#navbar" aria-expanded="false"> +        <span class="sr-only">Toggle navigation</span> +        <span class="icon-bar"></span> +        <span class="icon-bar"></span> +        <span class="icon-bar"></span> +      </button> +      <span class="navbar-brand"> +        <a class="navbar-link" href="../index.html">mkin</a> +        <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">0.9.49.9</span> +      </span> +    </div> + +    <div id="navbar" class="navbar-collapse collapse"> +      <ul class="nav navbar-nav"> +        <li> +  <a href="../reference/index.html">Functions and data</a> +</li> +<li class="dropdown"> +  <a href="#" class="dropdown-toggle" data-toggle="dropdown" role="button" aria-expanded="false"> +    Articles +      +    <span class="caret"></span> +  </a> +  <ul class="dropdown-menu" role="menu"> +    <li> +      <a href="../articles/mkin.html">Introduction to mkin</a> +    </li> +    <li> +      <a href="../articles/FOCUS_D.html">Example evaluation of FOCUS Example Dataset D</a> +    </li> +    <li> +      <a href="../articles/FOCUS_L.html">Example evaluation of FOCUS Laboratory Data L1 to L3</a> +    </li> +    <li> +      <a href="../articles/web_only/FOCUS_Z.html">Example evaluation of FOCUS Example Dataset Z</a> +    </li> +    <li> +      <a href="../articles/web_only/compiled_models.html">Performance benefit by using compiled model definitions in mkin</a> +    </li> +    <li> +      <a href="../articles/twa.html">Calculation of time weighted average concentrations with mkin</a> +    </li> +    <li> +      <a href="../articles/web_only/NAFTA_examples.html">Example evaluation of NAFTA SOP Attachment examples</a> +    </li> +  </ul> +</li> +<li> +  <a href="../news/index.html">News</a> +</li> +      </ul> +      <ul class="nav navbar-nav navbar-right"> +         +      </ul> +       +    </div><!--/.nav-collapse --> +  </div><!--/.container --> +</div><!--/.navbar --> + +       + +      </header> + +<div class="row"> +  <div class="col-md-9 contents"> +    <div class="page-header"> +    <h1>Estimation of parameter distributions from mmkin row objects</h1> +     +    <div class="hidden name"><code>nlme.Rd</code></div> +    </div> + +    <div class="ref-description"> +    <p>This function sets up and attempts to fit a mixed effects model to +an mmkin row object. An mmkin row object is essentially a list of mkinfit +objects that have been obtained by fitting the same model to a list of +datasets.</p> +    </div> + +    <pre class="usage"><span class='fu'>mean_degparms</span>(<span class='no'>object</span>) + +<span class='fu'>nlme_data</span>(<span class='no'>object</span>) + +<span class='fu'>nlme_function</span>(<span class='no'>object</span>)</pre> + +    <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2> +    <table class="ref-arguments"> +    <colgroup><col class="name" /><col class="desc" /></colgroup> +    <tr> +      <th>object</th> +      <td><p>An mmkin row object containing several fits of the same model to different datasets</p></td> +    </tr> +    </table> + +    <h2 class="hasAnchor" id="value"><a class="anchor" href="#value"></a>Value</h2> + +    <p>A named vector containing mean values of the fitted degradation model parameters</p> +<p>A groupedData data object</p> +<p>A function that can be used with nlme</p> + +    <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2> +    <pre class="examples"></pre> +  </div> +  <div class="col-md-3 hidden-xs hidden-sm" id="sidebar"> +    <h2>Contents</h2> +    <ul class="nav nav-pills nav-stacked"> +      <li><a href="#arguments">Arguments</a></li> +      <li><a href="#value">Value</a></li> +      <li><a href="#examples">Examples</a></li> +    </ul> + +  </div> +</div> + + +      <footer> +      <div class="copyright"> +  <p>Developed by Johannes Ranke.</p> +</div> + +<div class="pkgdown"> +  <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.4.1.</p> +</div> + +      </footer> +   </div> + +   + + +  </body> +</html> + + diff --git a/docs/sitemap.xml b/docs/sitemap.xml index a8d6dfa4..8ba032de 100644 --- a/docs/sitemap.xml +++ b/docs/sitemap.xml @@ -130,6 +130,9 @@      <loc>https://pkgdown.jrwb.de/mkin/reference/nafta.html</loc>    </url>    <url> +    <loc>https://pkgdown.jrwb.de/mkin/reference/nlme.html</loc> +  </url> +  <url>      <loc>https://pkgdown.jrwb.de/mkin/reference/nobs.mkinfit.html</loc>    </url>    <url> | 
