diff options
Diffstat (limited to 'docs')
50 files changed, 163 insertions, 143 deletions
| diff --git a/docs/articles/FOCUS_D.R b/docs/articles/FOCUS_D.R index 9eaf41f7..51723496 100644 --- a/docs/articles/FOCUS_D.R +++ b/docs/articles/FOCUS_D.R @@ -2,3 +2,23 @@  library(knitr)  opts_chunk$set(tidy = FALSE, cache = TRUE) +## ----data---------------------------------------------------------------- +library("mkin") +print(FOCUS_2006_D) + +## ----model--------------------------------------------------------------- +SFO_SFO <- mkinmod(parent = mkinsub("SFO", "m1"), m1 = mkinsub("SFO")) +print(SFO_SFO$diffs) + +## ----fit----------------------------------------------------------------- +fit <- mkinfit(SFO_SFO, FOCUS_2006_D, quiet = TRUE) + +## ----plot, fig.height = 6, fig.width = 8--------------------------------- +plot_sep(fit, lpos = c("topright", "bottomright")) + +## ----plot_2, fig.height = 4, fig.width = 8------------------------------- +mkinparplot(fit) + +## ------------------------------------------------------------------------ +summary(fit) + diff --git a/docs/articles/FOCUS_D.html b/docs/articles/FOCUS_D.html index ad53126e..782a789d 100644 --- a/docs/articles/FOCUS_D.html +++ b/docs/articles/FOCUS_D.html @@ -16,7 +16,7 @@      </div>      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav"><li> -  <a href="../reference/index.html">Function reference</a> +  <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"> diff --git a/docs/articles/FOCUS_L.html b/docs/articles/FOCUS_L.html index 8f3dbe7c..68054ec1 100644 --- a/docs/articles/FOCUS_L.html +++ b/docs/articles/FOCUS_L.html @@ -16,7 +16,7 @@      </div>      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav"><li> -  <a href="../reference/index.html">Function reference</a> +  <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"> @@ -76,15 +76,15 @@ FOCUS_2006_L1_mkin <-<span class="st"> </span><span class="kw"><a href="../re  <span class="kw">summary</span>(m.L1.SFO)</code></pre></div>  <pre><code>## mkin version:    0.9.44.9000   ## R version:       3.3.2  -## Date of fit:     Fri Nov 18 16:48:11 2016  -## Date of summary: Fri Nov 18 16:48:11 2016  +## Date of fit:     Fri Nov 18 22:54:43 2016  +## Date of summary: Fri Nov 18 22:54:43 2016   ##   ## Equations:  ## d_parent/dt = - k_parent_sink * parent  ##   ## Model predictions using solution type analytical   ##  -## Fitted with method Port using 37 model solutions performed in 0.085 s +## Fitted with method Port using 37 model solutions performed in 0.09 s  ##   ## Weighting: none  ##  @@ -169,8 +169,8 @@ FOCUS_2006_L1_mkin <-<span class="st"> </span><span class="kw"><a href="../re  <div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r"><span class="kw">summary</span>(m.L1.FOMC, <span class="dt">data =</span> <span class="ot">FALSE</span>)</code></pre></div>  <pre><code>## mkin version:    0.9.44.9000   ## R version:       3.3.2  -## Date of fit:     Fri Nov 18 16:48:12 2016  -## Date of summary: Fri Nov 18 16:48:12 2016  +## Date of fit:     Fri Nov 18 22:54:44 2016  +## Date of summary: Fri Nov 18 22:54:44 2016   ##   ##   ## Warning: Optimisation by method Port did not converge. @@ -182,7 +182,7 @@ FOCUS_2006_L1_mkin <-<span class="st"> </span><span class="kw"><a href="../re  ##   ## Model predictions using solution type analytical   ##  -## Fitted with method Port using 188 model solutions performed in 0.448 s +## Fitted with method Port using 188 model solutions performed in 0.43 s  ##   ## Weighting: none  ##  @@ -266,15 +266,15 @@ FOCUS_2006_L2_mkin <-<span class="st"> </span><span class="kw"><a href="../re  <div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r"><span class="kw">summary</span>(m.L2.FOMC, <span class="dt">data =</span> <span class="ot">FALSE</span>)</code></pre></div>  <pre><code>## mkin version:    0.9.44.9000   ## R version:       3.3.2  -## Date of fit:     Fri Nov 18 16:48:13 2016  -## Date of summary: Fri Nov 18 16:48:13 2016  +## Date of fit:     Fri Nov 18 22:54:44 2016  +## Date of summary: Fri Nov 18 22:54:44 2016   ##   ## Equations:  ## d_parent/dt = - (alpha/beta) * 1/((time/beta) + 1) * parent  ##   ## Model predictions using solution type analytical   ##  -## Fitted with method Port using 81 model solutions performed in 0.196 s +## Fitted with method Port using 81 model solutions performed in 0.184 s  ##   ## Weighting: none  ##  @@ -336,8 +336,8 @@ FOCUS_2006_L2_mkin <-<span class="st"> </span><span class="kw"><a href="../re  <div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r"><span class="kw">summary</span>(m.L2.DFOP, <span class="dt">data =</span> <span class="ot">FALSE</span>)</code></pre></div>  <pre><code>## mkin version:    0.9.44.9000   ## R version:       3.3.2  -## Date of fit:     Fri Nov 18 16:48:14 2016  -## Date of summary: Fri Nov 18 16:48:14 2016  +## Date of fit:     Fri Nov 18 22:54:45 2016  +## Date of summary: Fri Nov 18 22:54:46 2016   ##   ## Equations:  ## d_parent/dt = - ((k1 * g * exp(-k1 * time) + k2 * (1 - g) * @@ -346,7 +346,7 @@ FOCUS_2006_L2_mkin <-<span class="st"> </span><span class="kw"><a href="../re  ##   ## Model predictions using solution type analytical   ##  -## Fitted with method Port using 336 model solutions performed in 0.793 s +## Fitted with method Port using 336 model solutions performed in 0.784 s  ##   ## Weighting: none  ##  @@ -425,8 +425,8 @@ mm.L3 <-<span class="st"> </span><span class="kw"><a href="../reference/mmkin  <div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r"><span class="kw">summary</span>(mm.L3[[<span class="st">"DFOP"</span>, <span class="dv">1</span>]])</code></pre></div>  <pre><code>## mkin version:    0.9.44.9000   ## R version:       3.3.2  -## Date of fit:     Fri Nov 18 16:48:15 2016  -## Date of summary: Fri Nov 18 16:48:15 2016  +## Date of fit:     Fri Nov 18 22:54:47 2016  +## Date of summary: Fri Nov 18 22:54:47 2016   ##   ## Equations:  ## d_parent/dt = - ((k1 * g * exp(-k1 * time) + k2 * (1 - g) * @@ -435,7 +435,7 @@ mm.L3 <-<span class="st"> </span><span class="kw"><a href="../reference/mmkin  ##   ## Model predictions using solution type analytical   ##  -## Fitted with method Port using 137 model solutions performed in 0.325 s +## Fitted with method Port using 137 model solutions performed in 0.328 s  ##   ## Weighting: none  ##  @@ -525,15 +525,15 @@ mm.L4 <-<span class="st"> </span><span class="kw"><a href="../reference/mmkin  <div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r"><span class="kw">summary</span>(mm.L4[[<span class="st">"SFO"</span>, <span class="dv">1</span>]], <span class="dt">data =</span> <span class="ot">FALSE</span>)</code></pre></div>  <pre><code>## mkin version:    0.9.44.9000   ## R version:       3.3.2  -## Date of fit:     Fri Nov 18 16:48:15 2016  -## Date of summary: Fri Nov 18 16:48:16 2016  +## Date of fit:     Fri Nov 18 22:54:47 2016  +## Date of summary: Fri Nov 18 22:54:48 2016   ##   ## Equations:  ## d_parent/dt = - k_parent_sink * parent  ##   ## Model predictions using solution type analytical   ##  -## Fitted with method Port using 46 model solutions performed in 0.107 s +## Fitted with method Port using 46 model solutions performed in 0.108 s  ##   ## Weighting: none  ##  @@ -585,15 +585,15 @@ mm.L4 <-<span class="st"> </span><span class="kw"><a href="../reference/mmkin  <div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r"><span class="kw">summary</span>(mm.L4[[<span class="st">"FOMC"</span>, <span class="dv">1</span>]], <span class="dt">data =</span> <span class="ot">FALSE</span>)</code></pre></div>  <pre><code>## mkin version:    0.9.44.9000   ## R version:       3.3.2  -## Date of fit:     Fri Nov 18 16:48:16 2016  -## Date of summary: Fri Nov 18 16:48:16 2016  +## Date of fit:     Fri Nov 18 22:54:47 2016  +## Date of summary: Fri Nov 18 22:54:48 2016   ##   ## Equations:  ## d_parent/dt = - (alpha/beta) * 1/((time/beta) + 1) * parent  ##   ## Model predictions using solution type analytical   ##  -## Fitted with method Port using 66 model solutions performed in 0.15 s +## Fitted with method Port using 66 model solutions performed in 0.145 s  ##   ## Weighting: none  ##  diff --git a/docs/articles/FOCUS_Z.pdf b/docs/articles/FOCUS_Z.pdfBinary files differ index 6f8929ea..d8bfd68c 100644 --- a/docs/articles/FOCUS_Z.pdf +++ b/docs/articles/FOCUS_Z.pdf diff --git a/docs/articles/compiled_models.html b/docs/articles/compiled_models.html index 31340867..87913685 100644 --- a/docs/articles/compiled_models.html +++ b/docs/articles/compiled_models.html @@ -16,7 +16,7 @@      </div>      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav"><li> -  <a href="../reference/index.html">Function reference</a> +  <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"> @@ -91,21 +91,21 @@ mb<span class="fl">.1</span> <-<span class="st"> </span><span class="kw">micr  <span class="kw">print</span>(mb<span class="fl">.1</span>)</code></pre></div>  <pre><code>## Unit: milliseconds  ##                   expr       min        lq      mean    median        uq -##  deSolve, not compiled 6559.0772 6574.0500 6642.0659 6589.0229 6683.5603 -##       Eigenvalue based  921.0723  931.1284  940.3973  941.1845  950.0598 -##      deSolve, compiled  736.6534  741.6706  756.3600  746.6878  766.2132 +##  deSolve, not compiled 6126.4954 6152.1764 6170.8152 6177.8573 6192.9751 +##       Eigenvalue based  864.8441  891.7069  902.0212  918.5697  920.6098 +##      deSolve, compiled  706.9115  711.1015  714.9195  715.2915  718.9235  ##        max neval cld -##  6778.0978     3   c -##   958.9351     3  b  -##   785.7386     3 a</code></pre> +##  6208.0929     3   c +##   922.6498     3  b  +##   722.5556     3 a</code></pre>  <div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r"><span class="kw">autoplot</span>(mb<span class="fl">.1</span>)</code></pre></div>  <p><img src="compiled_models_files/figure-html/benchmark_SFO_SFO-1.png" width="672"></p> -<p>We see that using the compiled model is by a factor of 8.8 faster than using the R version with the default ode solver, and it is even faster than the Eigenvalue based solution implemented in R which does not need iterative solution of the ODEs:</p> +<p>We see that using the compiled model is by a factor of 8.6 faster than using the R version with the default ode solver, and it is even faster than the Eigenvalue based solution implemented in R which does not need iterative solution of the ODEs:</p>  <div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r"><span class="kw">rownames</span>(smb<span class="fl">.1</span>) <-<span class="st"> </span>smb<span class="fl">.1</span>$expr  smb<span class="fl">.1</span>[<span class="st">"median"</span>]/smb<span class="fl">.1</span>[<span class="st">"deSolve, compiled"</span>, <span class="st">"median"</span>]</code></pre></div>  <pre><code>##                         median -## deSolve, not compiled 8.824334 -## Eigenvalue based      1.260479 +## deSolve, not compiled 8.636839 +## Eigenvalue based      1.284189  ## deSolve, compiled     1.000000</code></pre>  </div>  <div id="model-that-can-not-be-solved-with-eigenvalues" class="section level2"> @@ -126,19 +126,19 @@ smb<span class="fl">.1</span>[<span class="st">"median"</span>]/smb<span class="  <div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r">smb<span class="fl">.2</span> <-<span class="st"> </span><span class="kw">summary</span>(mb<span class="fl">.2</span>)  <span class="kw">print</span>(mb<span class="fl">.2</span>)</code></pre></div>  <pre><code>## Unit: seconds -##                   expr       min        lq      mean   median        uq -##  deSolve, not compiled 13.587184 13.616178 13.673277 13.64517 13.716324 -##      deSolve, compiled  1.307508  1.317114  1.337594  1.32672  1.352637 +##                   expr       min        lq      mean    median        uq +##  deSolve, not compiled 13.163796 13.205491 13.478255 13.247187 13.635484 +##      deSolve, compiled  1.267154  1.268198  1.272722  1.269242  1.275506  ##        max neval cld -##  13.787476     3   b -##   1.378553     3  a</code></pre> +##  14.023782     3   b +##   1.281771     3  a</code></pre>  <div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r">smb<span class="fl">.2</span>[<span class="st">"median"</span>]/smb<span class="fl">.2</span>[<span class="st">"deSolve, compiled"</span>, <span class="st">"median"</span>]</code></pre></div>  <pre><code>##   median  ## 1     NA  ## 2     NA</code></pre>  <div class="sourceCode"><pre class="sourceCode r"><code class="sourceCode r"><span class="kw">autoplot</span>(mb<span class="fl">.2</span>)</code></pre></div>  <p><img src="compiled_models_files/figure-html/benchmark_FOMC_SFO-1.png" width="672"></p> -<p>Here we get a performance benefit of a factor of 10.3 using the version of the differential equation model compiled from C code!</p> +<p>Here we get a performance benefit of a factor of 10.4 using the version of the differential equation model compiled from C code!</p>  <p>This vignette was built with mkin 0.9.44.9000 on</p>  <pre><code>## R version 3.3.2 (2016-10-31)  ## Platform: x86_64-pc-linux-gnu (64-bit) diff --git a/docs/articles/compiled_models_files/figure-html/benchmark_FOMC_SFO-1.png b/docs/articles/compiled_models_files/figure-html/benchmark_FOMC_SFO-1.pngBinary files differ index b7fda1ed..55aca8fa 100644 --- a/docs/articles/compiled_models_files/figure-html/benchmark_FOMC_SFO-1.png +++ b/docs/articles/compiled_models_files/figure-html/benchmark_FOMC_SFO-1.png diff --git a/docs/articles/compiled_models_files/figure-html/benchmark_SFO_SFO-1.png b/docs/articles/compiled_models_files/figure-html/benchmark_SFO_SFO-1.pngBinary files differ index bacdb814..90ac9cbc 100644 --- a/docs/articles/compiled_models_files/figure-html/benchmark_SFO_SFO-1.png +++ b/docs/articles/compiled_models_files/figure-html/benchmark_SFO_SFO-1.png diff --git a/docs/articles/index.html b/docs/articles/index.html index de2a8a61..de5643c2 100644 --- a/docs/articles/index.html +++ b/docs/articles/index.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> diff --git a/docs/articles/mkin.html b/docs/articles/mkin.html index 49c0389b..1292480b 100644 --- a/docs/articles/mkin.html +++ b/docs/articles/mkin.html @@ -16,7 +16,7 @@      </div>      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav"><li> -  <a href="../reference/index.html">Function reference</a> +  <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"> diff --git a/docs/authors.html b/docs/authors.html index 3c5807a9..84428f4e 100644 --- a/docs/authors.html +++ b/docs/authors.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="reference/index.html">Function reference</a> +  <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"> diff --git a/docs/index.html b/docs/index.html index 2afbbd85..03223916 100644 --- a/docs/index.html +++ b/docs/index.html @@ -16,7 +16,7 @@      </div>      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav"><li> -  <a href="reference/index.html">Function reference</a> +  <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"> @@ -68,12 +68,12 @@  <div id="usage" class="section level2">  <h2 class="hasAnchor">  <a href="#usage" class="anchor"> </a>Usage</h2> -<p>For a start, have a look a the code examples provided for <a href="http://kinfit.r-forge.r-project.org/mkin_static/plot.mkinfit.html"><code>plot.mkinfit</code></a> and <a href="http://kinfit.r-forge.r-project.org/mkin_static/plot.mmkin.html"><code>plot.mmkin</code></a>, and at the package vignettes <a href="http://kinfit.r-forge.r-project.org/mkin_static/vignettes/FOCUS_L.html"><code>FOCUS L</code></a> and <a href="http://kinfit.r-forge.r-project.org/mkin_static/vignettes/FOCUS_D.html"><code>FOCUS D</code></a>.</p> +<p>For a start, have a look a the code examples provided for <a href="http://kinfit.r-forge.r-project.org/mkin_static/reference/plot.mkinfit.html"><code>plot.mkinfit</code></a> and <a href="http://kinfit.r-forge.r-project.org/mkin_static/reference/plot.mmkin.html"><code>plot.mmkin</code></a>, and at the package vignettes <a href="http://kinfit.r-forge.r-project.org/mkin_static/articles/FOCUS_L.html"><code>FOCUS L</code></a> and <a href="http://kinfit.r-forge.r-project.org/mkin_static/articles/FOCUS_D.html"><code>FOCUS D</code></a>.</p>  </div>  <div id="documentation" class="section level2">  <h2 class="hasAnchor">  <a href="#documentation" class="anchor"> </a>Documentation</h2> -<p>The <a href="http://jranke.github.io/mkin">HTML documentation</a> is maintained at the github project site.</p> +<p>The HTML documentation is available at <a href="http://jranke.github.io/mkin">github</a> and at <a href="http://kinfit.r-forge.r-project.org/mkin_static/index.html">R-Forge</a>.</p>  </div>  <div id="features" class="section level2">  <h2 class="hasAnchor"> @@ -81,8 +81,8 @@  <ul><li>Highly flexible model specification using <a href="http://kinfit.r-forge.r-project.org/mkin_static/mkinmod.html"><code>mkinmod</code></a>, including equilibrium reactions and using the single first-order reversible binding (SFORB) model, which will automatically create two latent state variables for the observed variable.</li>  <li>As of version 0.9-39, fitting of several models to several datasets, optionally in parallel, is supported, see for example <a href="http://kinfit.r-forge.r-project.org/mkin_static/plot.mmkin.html"><code>plot.mmkin</code></a>.</li>  <li>Model solution (forward modelling) in the function <a href="http://kinfit.r-forge.r-project.org/mkin_static/mkinpredict.html"><code>mkinpredict</code></a> is performed either using the analytical solution for the case of parent only degradation, an eigenvalue based solution if only simple first-order (SFO) or SFORB kinetics are used in the model, or using a numeric solver from the <code>deSolve</code> package (default is <code>lsoda</code>).</li> -<li>If a C compiler is installed, the kinetic models are compiled from automatically generated C code, see<br><a href="http://kinfit.r-forge.r-project.org/mkin_static/vignettes/compiled_models.html">vignette <code>compiled_models</code></a>. The autogeneration of C code was inspired by the <a href="https://github.com/karlines/ccSolve"><code>ccSolve</code></a> package. Thanks to Karline Soetaert for her work on that.</li> -<li>By default, kinetic rate constants and kinetic formation fractions are transformed internally using <a href="http://kinfit.r-forge.r-project.org/mkin_static/transform_odeparms.html"><code>transform_odeparms</code></a> so their estimators can more reasonably be expected to follow a normal distribution. This has the side effect that no constraints are needed in the optimisation. Thanks to René Lehmann for the nice cooperation on this, especially the isometric logration transformation that is now used for the formation fractions.</li> +<li>If a C compiler is installed, the kinetic models are compiled from automatically generated C code, see<br><a href="http://kinfit.r-forge.r-project.org/mkin_static/articles/compiled_models.html">vignette <code>compiled_models</code></a>. The autogeneration of C code was inspired by the <a href="https://github.com/karlines/ccSolve"><code>ccSolve</code></a> package. Thanks to Karline Soetaert for her work on that.</li> +<li>By default, kinetic rate constants and kinetic formation fractions are transformed internally using <a href="http://kinfit.r-forge.r-project.org/mkin_static/reference/transform_odeparms.html"><code>transform_odeparms</code></a> so their estimators can more reasonably be expected to follow a normal distribution. This has the side effect that no constraints are needed in the optimisation. Thanks to René Lehmann for the nice cooperation on this, especially the isometric logration transformation that is now used for the formation fractions.</li>  <li>A side effect of this is that when parameter estimates are backtransformed to match the model definition, confidence intervals calculated from standard errors are also backtransformed to the correct scale, and will not include meaningless values like negative rate constants or formation fractions adding up to more than 1, which can not occur in a single experiment with a single defined radiolabel position.</li>  <li>The usual one-sided t-test for significant difference from zero is nevertheless shown based on estimators for the untransformed parameters.</li>  <li>Summary and plotting functions. The <code>summary</code> of an <code>mkinfit</code> object is in fact a full report that should give enough information to be able to approximately reproduce the fit with other tools.</li> diff --git a/docs/news/index.html b/docs/news/index.html index 9cab5c82..41461a71 100644 --- a/docs/news/index.html +++ b/docs/news/index.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> diff --git a/docs/reference/DFOP.solution.html b/docs/reference/DFOP.solution.html index d2c972e1..ed30ee50 100644 --- a/docs/reference/DFOP.solution.html +++ b/docs/reference/DFOP.solution.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> diff --git a/docs/reference/Extract.mmkin.html b/docs/reference/Extract.mmkin.html index 1b198233..bcf11173 100644 --- a/docs/reference/Extract.mmkin.html +++ b/docs/reference/Extract.mmkin.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> @@ -239,7 +239,7 @@  #>   #> $time  #>    user  system elapsed  -#>   0.064   0.000   0.066  +#>   0.064   0.000   0.065   #>   #> $mkinmod  #> <mkinmod> model generated with @@ -428,7 +428,7 @@  #>     }  #>     return(mC)  #> } -#> <environment: 0x374d908> +#> <environment: 0x58e8e58>  #>   #> $cost_notrans  #> function (P)  @@ -450,7 +450,7 @@  #>         scaleVar = scaleVar)  #>     return(mC)  #> } -#> <environment: 0x374d908> +#> <environment: 0x58e8e58>  #>   #> $hessian_notrans  #>                   parent_0 k_parent_sink @@ -513,7 +513,7 @@  #> 99.17407   #>   #> $date -#> [1] "Fri Nov 18 16:45:27 2016" +#> [1] "Fri Nov 18 22:52:07 2016"  #>   #> attr(,"class")  #> [1] "mkinfit" "modFit"  diff --git a/docs/reference/FOCUS_2006_DFOP_ref_A_to_B.html b/docs/reference/FOCUS_2006_DFOP_ref_A_to_B.html index 49415816..df8280d7 100644 --- a/docs/reference/FOCUS_2006_DFOP_ref_A_to_B.html +++ b/docs/reference/FOCUS_2006_DFOP_ref_A_to_B.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> - 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 <a href="../reference/index.html">Function reference</a> +  <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"> diff --git a/docs/reference/ilr.html b/docs/reference/ilr.html index b5e18695..85f203ed 100644 --- a/docs/reference/ilr.html +++ b/docs/reference/ilr.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> diff --git a/docs/reference/index.html b/docs/reference/index.html index 0969f5f4..0d43c4cf 100644 --- a/docs/reference/index.html +++ b/docs/reference/index.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> diff --git a/docs/reference/mccall81_245T.html b/docs/reference/mccall81_245T.html index db84add6..8eac2a55 100644 --- a/docs/reference/mccall81_245T.html +++ b/docs/reference/mccall81_245T.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> @@ -130,8 +130,8 @@      <span class='no'>fit.1</span> <span class='kw'><-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span>(<span class='no'>SFO_SFO_SFO</span>, <span class='fu'>subset</span>(<span class='no'>mccall81_245T</span>, <span class='no'>soil</span> <span class='kw'>==</span> <span class='st'>"Commerce"</span>), <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)</div><div class='output co'>#> <span class='warning'>Warning: Optimisation by method Port did not converge.</span>  #> <span class='warning'>Convergence code is 1</span></div><div class='input'>    <span class='fu'>summary</span>(<span class='no'>fit.1</span>, <span class='kw'>data</span> <span class='kw'>=</span> <span class='fl'>FALSE</span>)</div><div class='output co'>#> mkin version:    0.9.44.9000   #> R version:       3.3.2  -#> Date of fit:     Fri Nov 18 16:45:36 2016  -#> Date of summary: Fri Nov 18 16:45:36 2016  +#> Date of fit:     Fri Nov 18 22:52:15 2016  +#> Date of summary: Fri Nov 18 22:52:15 2016   #>   #>   #> Warning: Optimisation by method Port did not converge. @@ -146,7 +146,7 @@  #>   #> Model predictions using solution type deSolve   #>  -#> Fitted with method Port using 590 model solutions performed in 3.554 s +#> Fitted with method Port using 590 model solutions performed in 3.397 s  #>   #> Weighting: none  #>  @@ -225,8 +225,8 @@                   <span class='kw'>fixed_parms</span> <span class='kw'>=</span> <span class='st'>"k_phenol_sink"</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)    <span class='fu'>summary</span>(<span class='no'>fit.2</span>, <span class='kw'>data</span> <span class='kw'>=</span> <span class='fl'>FALSE</span>)</div><div class='output co'>#> mkin version:    0.9.44.9000   #> R version:       3.3.2  -#> Date of fit:     Fri Nov 18 16:45:37 2016  -#> Date of summary: Fri Nov 18 16:45:37 2016  +#> Date of fit:     Fri Nov 18 22:52:16 2016  +#> Date of summary: Fri Nov 18 22:52:16 2016   #>   #> Equations:  #> d_T245/dt = - k_T245_sink * T245 - k_T245_phenol * T245 @@ -236,7 +236,7 @@  #>   #> Model predictions using solution type deSolve   #>  -#> Fitted with method Port using 246 model solutions performed in 1.502 s +#> Fitted with method Port using 246 model solutions performed in 1.471 s  #>   #> Weighting: none  #>  diff --git a/docs/reference/mkin_long_to_wide.html b/docs/reference/mkin_long_to_wide.html index 55f54b1c..af7daf7a 100644 --- a/docs/reference/mkin_long_to_wide.html +++ b/docs/reference/mkin_long_to_wide.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> diff --git a/docs/reference/mkin_wide_to_long.html b/docs/reference/mkin_wide_to_long.html index edfec3c0..75417aec 100644 --- a/docs/reference/mkin_wide_to_long.html +++ b/docs/reference/mkin_wide_to_long.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> diff --git a/docs/reference/mkinds.html b/docs/reference/mkinds.html index f88f6679..bd8207eb 100644 --- a/docs/reference/mkinds.html +++ b/docs/reference/mkinds.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> diff --git a/docs/reference/mkinerrmin.html b/docs/reference/mkinerrmin.html index 7e10d3e3..a69920fd 100644 --- a/docs/reference/mkinerrmin.html +++ b/docs/reference/mkinerrmin.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> diff --git a/docs/reference/mkinfit.html b/docs/reference/mkinfit.html index a912b065..2f32348e 100644 --- a/docs/reference/mkinfit.html +++ b/docs/reference/mkinfit.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> @@ -374,15 +374,15 @@  <span class='no'>fit</span> <span class='kw'><-</span> <span class='fu'>mkinfit</span>(<span class='st'>"FOMC"</span>, <span class='no'>FOCUS_2006_C</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)  <span class='fu'>summary</span>(<span class='no'>fit</span>)</div><div class='output co'>#> mkin version:    0.9.44.9000   #> R version:       3.3.2  -#> Date of fit:     Fri Nov 18 16:45:39 2016  -#> Date of summary: Fri Nov 18 16:45:39 2016  +#> Date of fit:     Fri Nov 18 22:52:19 2016  +#> Date of summary: Fri Nov 18 22:52:19 2016   #>   #> Equations:  #> d_parent/dt = - (alpha/beta) * 1/((time/beta) + 1) * parent  #>   #> Model predictions using solution type analytical   #>  -#> Fitted with method Port using 64 model solutions performed in 0.146 s +#> Fitted with method Port using 64 model solutions performed in 0.145 s  #>   #> Weighting: none  #>  @@ -451,7 +451,7 @@    <span class='kw'>m1</span> <span class='kw'>=</span> <span class='fu'><a href='mkinsub.html'>mkinsub</a></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'># Fit the model to the FOCUS example dataset D using defaults</span>  <span class='fu'>print</span>(<span class='fu'>system.time</span>(<span class='no'>fit</span> <span class='kw'><-</span> <span class='fu'>mkinfit</span>(<span class='no'>SFO_SFO</span>, <span class='no'>FOCUS_2006_D</span>,                             <span class='kw'>solution_type</span> <span class='kw'>=</span> <span class='st'>"eigen"</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)))</div><div class='output co'>#>    user  system elapsed  -#>   1.220   1.216   0.920 </div><div class='input'><span class='fu'>coef</span>(<span class='no'>fit</span>)</div><div class='output co'>#>          parent_0 log_k_parent_sink   log_k_parent_m1     log_k_m1_sink  +#>   1.244   1.176   0.911 </div><div class='input'><span class='fu'>coef</span>(<span class='no'>fit</span>)</div><div class='output co'>#>          parent_0 log_k_parent_sink   log_k_parent_m1     log_k_m1_sink   #>          99.59848          -3.03822          -2.98030          -5.24750 </div><div class='input'><span class='fu'><a href='endpoints.html'>endpoints</a></span>(<span class='no'>fit</span>)</div><div class='output co'>#> $ff  #> parent_sink   parent_m1     m1_sink   #>    0.485524    0.514476    1.000000  @@ -528,7 +528,7 @@  #> Model cost at call  152 :  371.2134   #> Optimisation by method Port successfully terminated.  #>    user  system elapsed  -#>   0.724   0.048   0.722 </div><div class='input'><span class='fu'>coef</span>(<span class='no'>fit.deSolve</span>)</div><div class='output co'>#>          parent_0 log_k_parent_sink   log_k_parent_m1     log_k_m1_sink  +#>   0.724   0.040   0.713 </div><div class='input'><span class='fu'>coef</span>(<span class='no'>fit.deSolve</span>)</div><div class='output co'>#>          parent_0 log_k_parent_sink   log_k_parent_m1     log_k_m1_sink   #>          99.59848          -3.03822          -2.98030          -5.24750 </div><div class='input'><span class='fu'><a href='endpoints.html'>endpoints</a></span>(<span class='no'>fit.deSolve</span>)</div><div class='output co'>#> $ff  #> parent_sink   parent_m1     m1_sink   #>    0.485524    0.514476    1.000000  @@ -571,8 +571,8 @@                        <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'>use_of_ff</span> <span class='kw'>=</span> <span class='st'>"max"</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='no'>f.noweight</span> <span class='kw'><-</span> <span class='fu'>mkinfit</span>(<span class='no'>SFO_SFO.ff</span>, <span class='no'>FOCUS_2006_D</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)  <span class='fu'>summary</span>(<span class='no'>f.noweight</span>)</div><div class='output co'>#> mkin version:    0.9.44.9000   #> R version:       3.3.2  -#> Date of fit:     Fri Nov 18 16:45:50 2016  -#> Date of summary: Fri Nov 18 16:45:50 2016  +#> Date of fit:     Fri Nov 18 22:52:29 2016  +#> Date of summary: Fri Nov 18 22:52:29 2016   #>   #> Equations:  #> d_parent/dt = - k_parent * parent @@ -580,7 +580,7 @@  #>   #> Model predictions using solution type deSolve   #>  -#> Fitted with method Port using 185 model solutions performed in 0.872 s +#> Fitted with method Port using 185 model solutions performed in 0.757 s  #>   #> Weighting: none  #>  @@ -692,8 +692,8 @@  #>   120       m1    33.31 2.879e+01  4.520e+00</div><div class='input'><span class='no'>f.irls</span> <span class='kw'><-</span> <span class='fu'>mkinfit</span>(<span class='no'>SFO_SFO.ff</span>, <span class='no'>FOCUS_2006_D</span>, <span class='kw'>reweight.method</span> <span class='kw'>=</span> <span class='st'>"obs"</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)  <span class='fu'>summary</span>(<span class='no'>f.irls</span>)</div><div class='output co'>#> mkin version:    0.9.44.9000   #> R version:       3.3.2  -#> Date of fit:     Fri Nov 18 16:45:52 2016  -#> Date of summary: Fri Nov 18 16:45:52 2016  +#> Date of fit:     Fri Nov 18 22:52:31 2016  +#> Date of summary: Fri Nov 18 22:52:31 2016   #>   #> Equations:  #> d_parent/dt = - k_parent * parent @@ -701,7 +701,7 @@  #>   #> Model predictions using solution type deSolve   #>  -#> Fitted with method Port using 486 model solutions performed in 2.009 s +#> Fitted with method Port using 486 model solutions performed in 2.046 s  #>   #> Weighting: none then iterative reweighting method obs  #>  @@ -813,8 +813,8 @@  #>   120       m1    33.31 2.881e+01  4.501e+00 2.722</div><div class='input'><span class='no'>f.w.mean</span> <span class='kw'><-</span> <span class='fu'>mkinfit</span>(<span class='no'>SFO_SFO.ff</span>, <span class='no'>FOCUS_2006_D</span>, <span class='kw'>weight</span> <span class='kw'>=</span> <span class='st'>"mean"</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)  <span class='fu'>summary</span>(<span class='no'>f.w.mean</span>)</div><div class='output co'>#> mkin version:    0.9.44.9000   #> R version:       3.3.2  -#> Date of fit:     Fri Nov 18 16:45:53 2016  -#> Date of summary: Fri Nov 18 16:45:53 2016  +#> Date of fit:     Fri Nov 18 22:52:32 2016  +#> Date of summary: Fri Nov 18 22:52:32 2016   #>   #> Equations:  #> d_parent/dt = - k_parent * parent @@ -822,7 +822,7 @@  #>   #> Model predictions using solution type deSolve   #>  -#> Fitted with method Port using 155 model solutions performed in 0.647 s +#> Fitted with method Port using 155 model solutions performed in 0.64 s  #>   #> Weighting: mean  #>  @@ -935,8 +935,8 @@                       <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)  <span class='fu'>summary</span>(<span class='no'>f.w.value</span>)</div><div class='output co'>#> mkin version:    0.9.44.9000   #> R version:       3.3.2  -#> Date of fit:     Fri Nov 18 16:45:54 2016  -#> Date of summary: Fri Nov 18 16:45:54 2016  +#> Date of fit:     Fri Nov 18 22:52:33 2016  +#> Date of summary: Fri Nov 18 22:52:33 2016   #>   #> Equations:  #> d_parent/dt = - k_parent * parent @@ -944,7 +944,7 @@  #>   #> Model predictions using solution type deSolve   #>  -#> Fitted with method Port using 174 model solutions performed in 0.749 s +#> Fitted with method Port using 174 model solutions performed in 0.752 s  #>   #> Weighting: manual  #>  @@ -1057,8 +1057,8 @@  <span class='no'>f.w.man</span> <span class='kw'><-</span> <span class='fu'>mkinfit</span>(<span class='no'>SFO_SFO.ff</span>, <span class='no'>dw</span>, <span class='kw'>err</span> <span class='kw'>=</span> <span class='st'>"err.man"</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)  <span class='fu'>summary</span>(<span class='no'>f.w.man</span>)</div><div class='output co'>#> mkin version:    0.9.44.9000   #> R version:       3.3.2  -#> Date of fit:     Fri Nov 18 16:45:55 2016  -#> Date of summary: Fri Nov 18 16:45:55 2016  +#> Date of fit:     Fri Nov 18 22:52:34 2016  +#> Date of summary: Fri Nov 18 22:52:34 2016   #>   #> Equations:  #> d_parent/dt = - k_parent * parent @@ -1066,7 +1066,7 @@  #>   #> Model predictions using solution type deSolve   #>  -#> Fitted with method Port using 316 model solutions performed in 1.288 s +#> Fitted with method Port using 316 model solutions performed in 1.28 s  #>   #> Weighting: manual  #>  @@ -1179,8 +1179,8 @@                         <span class='kw'>reweight.method</span> <span class='kw'>=</span> <span class='st'>"obs"</span>)  <span class='fu'>summary</span>(<span class='no'>f.w.man.irls</span>)</div><div class='output co'>#> mkin version:    0.9.44.9000   #> R version:       3.3.2  -#> Date of fit:     Fri Nov 18 16:45:58 2016  -#> Date of summary: Fri Nov 18 16:45:58 2016  +#> Date of fit:     Fri Nov 18 22:52:37 2016  +#> Date of summary: Fri Nov 18 22:52:37 2016   #>   #> Equations:  #> d_parent/dt = - k_parent * parent @@ -1188,7 +1188,7 @@  #>   #> Model predictions using solution type deSolve   #>  -#> Fitted with method Port using 648 model solutions performed in 2.738 s +#> Fitted with method Port using 648 model solutions performed in 2.631 s  #>   #> Weighting: manual then iterative reweighting method obs  #>  diff --git a/docs/reference/mkinmod.html b/docs/reference/mkinmod.html index 06e5ac7b..0ec62a2b 100644 --- a/docs/reference/mkinmod.html +++ b/docs/reference/mkinmod.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> @@ -188,7 +188,7 @@  <span class='no'>SFO_SFO</span> <span class='kw'><-</span> <span class='fu'>mkinmod</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'>m1</span> <span class='kw'>=</span> <span class='fu'><a href='mkinsub.html'>mkinsub</a></span>(<span class='st'>"SFO"</span>), <span class='kw'>verbose</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)</div><div class='output co'>#> Compilation argument: -#>  /usr/lib/R/bin/R CMD SHLIB file4abb63d73c2f.c 2> file4abb63d73c2f.c.err.txt  +#>  /usr/lib/R/bin/R CMD SHLIB file2d971c8bce81.c 2> file2d971c8bce81.c.err.txt   #> Program source:  #>   1: #include <R.h>  #>   2:  diff --git a/docs/reference/mkinparplot.html b/docs/reference/mkinparplot.html index 5c3dfb79..744de866 100644 --- a/docs/reference/mkinparplot.html +++ b/docs/reference/mkinparplot.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> diff --git a/docs/reference/mkinplot.html b/docs/reference/mkinplot.html index 89076c30..cfd4b396 100644 --- a/docs/reference/mkinplot.html +++ b/docs/reference/mkinplot.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> diff --git a/docs/reference/mkinpredict.html b/docs/reference/mkinpredict.html index 7811539a..a36e485b 100644 --- a/docs/reference/mkinpredict.html +++ b/docs/reference/mkinpredict.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> @@ -290,17 +290,17 @@                  <span class='fu'>c</span>(<span class='kw'>parent</span> <span class='kw'>=</span> <span class='fl'>100</span>, <span class='kw'>m1</span> <span class='kw'>=</span> <span class='fl'>0</span>), <span class='fu'>seq</span>(<span class='fl'>0</span>, <span class='fl'>20</span>, <span class='kw'>by</span> <span class='kw'>=</span> <span class='fl'>0.1</span>),                  <span class='kw'>solution_type</span> <span class='kw'>=</span> <span class='st'>"eigen"</span>)[<span class='fl'>201</span>,]))</div><div class='output co'>#>     time   parent       m1  #> 201   20 4.978707 27.46227</div><div class='output co'>#>    user  system elapsed  -#>   0.020   0.012   0.005 </div><div class='input'>  <span class='fu'>system.time</span>( +#>   0.008   0.020   0.005 </div><div class='input'>  <span class='fu'>system.time</span>(      <span class='fu'>print</span>(<span class='fu'>mkinpredict</span>(<span class='no'>SFO_SFO</span>, <span class='fu'>c</span>(<span class='kw'>k_parent_m1</span> <span class='kw'>=</span> <span class='fl'>0.05</span>, <span class='kw'>k_parent_sink</span> <span class='kw'>=</span> <span class='fl'>0.1</span>, <span class='kw'>k_m1_sink</span> <span class='kw'>=</span> <span class='fl'>0.01</span>),                  <span class='fu'>c</span>(<span class='kw'>parent</span> <span class='kw'>=</span> <span class='fl'>100</span>, <span class='kw'>m1</span> <span class='kw'>=</span> <span class='fl'>0</span>), <span class='fu'>seq</span>(<span class='fl'>0</span>, <span class='fl'>20</span>, <span class='kw'>by</span> <span class='kw'>=</span> <span class='fl'>0.1</span>),                  <span class='kw'>solution_type</span> <span class='kw'>=</span> <span class='st'>"deSolve"</span>)[<span class='fl'>201</span>,]))</div><div class='output co'>#>     time   parent       m1  #> 201   20 4.978707 27.46227</div><div class='output co'>#>    user  system elapsed  -#>   0.000   0.020   0.003 </div><div class='input'>  <span class='fu'>system.time</span>( +#>   0.012   0.004   0.002 </div><div class='input'>  <span class='fu'>system.time</span>(      <span class='fu'>print</span>(<span class='fu'>mkinpredict</span>(<span class='no'>SFO_SFO</span>, <span class='fu'>c</span>(<span class='kw'>k_parent_m1</span> <span class='kw'>=</span> <span class='fl'>0.05</span>, <span class='kw'>k_parent_sink</span> <span class='kw'>=</span> <span class='fl'>0.1</span>, <span class='kw'>k_m1_sink</span> <span class='kw'>=</span> <span class='fl'>0.01</span>),                  <span class='fu'>c</span>(<span class='kw'>parent</span> <span class='kw'>=</span> <span class='fl'>100</span>, <span class='kw'>m1</span> <span class='kw'>=</span> <span class='fl'>0</span>), <span class='fu'>seq</span>(<span class='fl'>0</span>, <span class='fl'>20</span>, <span class='kw'>by</span> <span class='kw'>=</span> <span class='fl'>0.1</span>),                  <span class='kw'>solution_type</span> <span class='kw'>=</span> <span class='st'>"deSolve"</span>, <span class='kw'>use_compiled</span> <span class='kw'>=</span> <span class='fl'>FALSE</span>)[<span class='fl'>201</span>,]))</div><div class='output co'>#>     time   parent       m1  #> 201   20 4.978707 27.46227</div><div class='output co'>#>    user  system elapsed  -#>   0.032   0.000   0.035 </div></pre> +#>   0.036   0.000   0.034 </div></pre>    </div>    <div class="col-md-3 hidden-xs hidden-sm" id="sidebar">      <h2>Contents</h2> diff --git a/docs/reference/mkinresplot.html b/docs/reference/mkinresplot.html index a5893e3d..c11038b6 100644 --- a/docs/reference/mkinresplot.html +++ b/docs/reference/mkinresplot.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> diff --git a/docs/reference/mkinsub.html b/docs/reference/mkinsub.html index 5013652e..bad034ee 100644 --- a/docs/reference/mkinsub.html +++ b/docs/reference/mkinsub.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> diff --git a/docs/reference/mmkin.html b/docs/reference/mmkin.html index 493081e9..76cf7bd5 100644 --- a/docs/reference/mmkin.html +++ b/docs/reference/mmkin.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> @@ -158,8 +158,8 @@  <span class='no'>time_1</span> <span class='kw'><-</span> <span class='fu'>system.time</span>(<span class='no'>fits.4</span> <span class='kw'><-</span> <span class='fu'>mmkin</span>(<span class='no'>models</span>, <span class='no'>datasets</span>, <span class='kw'>cores</span> <span class='kw'>=</span> <span class='fl'>1</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>))  <span class='no'>time_default</span></div><div class='output co'>#>    user  system elapsed  -#>  16.128   0.132   8.922 </div><div class='input'><span class='no'>time_1</span></div><div class='output co'>#>    user  system elapsed  -#>  24.336   0.036  24.372 </div><div class='input'> +#>  16.184   0.108   9.158 </div><div class='input'><span class='no'>time_1</span></div><div class='output co'>#>    user  system elapsed  +#>  21.764   0.000  21.764 </div><div class='input'>  <span class='fu'><a href='endpoints.html'>endpoints</a></span>(<span class='no'>fits.0</span><span class='kw'>[[</span><span class='st'>"SFO_lin"</span>, <span class='fl'>2</span>]])</div><div class='output co'>#> $ff  #>   parent_M1 parent_sink       M1_M2     M1_sink   #>   0.7340479   0.2659521   0.7505687   0.2494313  diff --git a/docs/reference/plot.mkinfit.html b/docs/reference/plot.mkinfit.html index 53da3591..a19ee195 100644 --- a/docs/reference/plot.mkinfit.html +++ b/docs/reference/plot.mkinfit.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> diff --git a/docs/reference/plot.mmkin.html b/docs/reference/plot.mmkin.html index f19a8fd4..71b1cac5 100644 --- a/docs/reference/plot.mmkin.html +++ b/docs/reference/plot.mmkin.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> diff --git a/docs/reference/print.mkinds.html b/docs/reference/print.mkinds.html index c336fb6c..7796b0dd 100644 --- a/docs/reference/print.mkinds.html +++ b/docs/reference/print.mkinds.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> diff --git a/docs/reference/print.mkinmod.html b/docs/reference/print.mkinmod.html index 7c5e7d8c..dae4be0a 100644 --- a/docs/reference/print.mkinmod.html +++ b/docs/reference/print.mkinmod.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> diff --git a/docs/reference/schaefer07_complex_case.html b/docs/reference/schaefer07_complex_case.html index 1e224dd0..46f0a84b 100644 --- a/docs/reference/schaefer07_complex_case.html +++ b/docs/reference/schaefer07_complex_case.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> diff --git a/docs/reference/summary.mkinfit.html b/docs/reference/summary.mkinfit.html index 6a56c80e..9c22b621 100644 --- a/docs/reference/summary.mkinfit.html +++ b/docs/reference/summary.mkinfit.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> @@ -157,15 +157,15 @@      <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>      <pre class="examples"><div class='input'>  <span class='fu'>summary</span>(<span class='fu'><a href='mkinfit.html'>mkinfit</a></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='no'>FOCUS_2006_A</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>))</div><div class='output co'>#> mkin version:    0.9.44.9000   #> R version:       3.3.2  -#> Date of fit:     Fri Nov 18 16:46:50 2016  -#> Date of summary: Fri Nov 18 16:46:50 2016  +#> Date of fit:     Fri Nov 18 22:53:26 2016  +#> Date of summary: Fri Nov 18 22:53:26 2016   #>   #> Equations:  #> d_parent/dt = - k_parent_sink * parent  #>   #> Model predictions using solution type analytical   #>  -#> Fitted with method Port using 35 model solutions performed in 0.081 s +#> Fitted with method Port using 35 model solutions performed in 0.078 s  #>   #> Weighting: none  #>  diff --git a/docs/reference/synthetic_data_for_UBA.html b/docs/reference/synthetic_data_for_UBA.html index c75b97e2..7eb4b193 100644 --- a/docs/reference/synthetic_data_for_UBA.html +++ b/docs/reference/synthetic_data_for_UBA.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> @@ -155,8 +155,8 @@  <span class='no'>fit</span> <span class='kw'><-</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><img src='synthetic_data_for_UBA_2014-10.png' alt='' width='540' height='400' /><div class='input'><span class='fu'>summary</span>(<span class='no'>fit</span>)</div><div class='output co'>#> mkin version:    0.9.44.9000   #> R version:       3.3.2  -#> Date of fit:     Fri Nov 18 16:46:53 2016  -#> Date of summary: Fri Nov 18 16:46:53 2016  +#> Date of fit:     Fri Nov 18 22:53:29 2016  +#> Date of summary: Fri Nov 18 22:53:29 2016   #>   #> Equations:  #> d_parent/dt = - k_parent * parent @@ -165,7 +165,7 @@  #>   #> Model predictions using solution type deSolve   #>  -#> Fitted with method Port using 351 model solutions performed in 2.108 s +#> Fitted with method Port using 351 model solutions performed in 2.1 s  #>   #> Weighting: none  #>  diff --git a/docs/reference/transform_odeparms.html b/docs/reference/transform_odeparms.html index 08d4c46a..84d3d0e1 100644 --- a/docs/reference/transform_odeparms.html +++ b/docs/reference/transform_odeparms.html @@ -49,7 +49,7 @@      <div id="navbar" class="navbar-collapse collapse">        <ul class="nav navbar-nav">          <li> -  <a href="../reference/index.html">Function reference</a> +  <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"> @@ -164,8 +164,8 @@  <span class='no'>fit</span> <span class='kw'><-</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='fu'>summary</span>(<span class='no'>fit</span>, <span class='kw'>data</span><span class='kw'>=</span><span class='fl'>FALSE</span>) <span class='co'># See transformed and backtransformed parameters</span></div><div class='output co'>#> mkin version:    0.9.44.9000   #> R version:       3.3.2  -#> Date of fit:     Fri Nov 18 16:46:54 2016  -#> Date of summary: Fri Nov 18 16:46:54 2016  +#> Date of fit:     Fri Nov 18 22:53:30 2016  +#> Date of summary: Fri Nov 18 22:53:30 2016   #>   #> Equations:  #> d_parent/dt = - k_parent_sink * parent - k_parent_m1 * parent @@ -173,7 +173,7 @@  #>   #> Model predictions using solution type deSolve   #>  -#> Fitted with method Port using 153 model solutions performed in 0.607 s +#> Fitted with method Port using 153 model solutions performed in 0.618 s  #>   #> Weighting: none  #>  @@ -241,8 +241,8 @@  <span class='no'>fit.2</span> <span class='kw'><-</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'>transform_rates</span> <span class='kw'>=</span> <span class='fl'>FALSE</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)  <span class='fu'>summary</span>(<span class='no'>fit.2</span>, <span class='kw'>data</span><span class='kw'>=</span><span class='fl'>FALSE</span>)</div><div class='output co'>#> mkin version:    0.9.44.9000   #> R version:       3.3.2  -#> Date of fit:     Fri Nov 18 16:46:55 2016  -#> Date of summary: Fri Nov 18 16:46:55 2016  +#> Date of fit:     Fri Nov 18 22:53:31 2016  +#> Date of summary: Fri Nov 18 22:53:31 2016   #>   #> Equations:  #> d_parent/dt = - k_parent_sink * parent - k_parent_m1 * parent @@ -250,7 +250,7 @@  #>   #> Model predictions using solution type deSolve   #>  -#> Fitted with method Port using 327 model solutions performed in 1.34 s +#> Fitted with method Port using 327 model solutions performed in 1.335 s  #>   #> Weighting: none  #>  @@ -331,8 +331,8 @@  <span class='no'>fit.ff</span> <span class='kw'><-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span>(<span class='no'>SFO_SFO.ff</span>, <span class='no'>FOCUS_2006_D</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)  <span class='fu'>summary</span>(<span class='no'>fit.ff</span>, <span class='kw'>data</span> <span class='kw'>=</span> <span class='fl'>FALSE</span>)</div><div class='output co'>#> mkin version:    0.9.44.9000   #> R version:       3.3.2  -#> Date of fit:     Fri Nov 18 16:46:56 2016  -#> Date of summary: Fri Nov 18 16:46:56 2016  +#> Date of fit:     Fri Nov 18 22:53:32 2016  +#> Date of summary: Fri Nov 18 22:53:32 2016   #>   #> Equations:  #> d_parent/dt = - k_parent * parent @@ -340,7 +340,7 @@  #>   #> Model predictions using solution type deSolve   #>  -#> Fitted with method Port using 185 model solutions performed in 0.764 s +#> Fitted with method Port using 185 model solutions performed in 0.749 s  #>   #> Weighting: none  #>  @@ -415,8 +415,8 @@  <span class='no'>fit.ff.2</span> <span class='kw'><-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span>(<span class='no'>SFO_SFO.ff.2</span>, <span class='no'>FOCUS_2006_D</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)  <span class='fu'>summary</span>(<span class='no'>fit.ff.2</span>, <span class='kw'>data</span> <span class='kw'>=</span> <span class='fl'>FALSE</span>)</div><div class='output co'>#> mkin version:    0.9.44.9000   #> R version:       3.3.2  -#> Date of fit:     Fri Nov 18 16:46:57 2016  -#> Date of summary: Fri Nov 18 16:46:57 2016  +#> Date of fit:     Fri Nov 18 22:53:33 2016  +#> Date of summary: Fri Nov 18 22:53:33 2016   #>   #> Equations:  #> d_parent/dt = - k_parent * parent @@ -424,7 +424,7 @@  #>   #> Model predictions using solution type deSolve   #>  -#> Fitted with method Port using 104 model solutions performed in 0.433 s +#> Fitted with method Port using 104 model solutions performed in 0.426 s  #>   #> Weighting: none  #>  | 
