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authorJohannes Ranke <jranke@uni-bremen.de>2019-02-19 17:17:48 +0100
committerJohannes Ranke <jranke@uni-bremen.de>2019-02-19 17:17:48 +0100
commitaa80ce4f46f9ff1a2851ba9ba873a55a8f6ebc6d (patch)
treeaaada84eb433c5323161a3a5e60e9462b3047fe2 /docs/reference
parentf21038189af44e9dcea8458a66ce00bbf9b6b570 (diff)
Change package URL to github to get source code links
Diffstat (limited to 'docs/reference')
-rw-r--r--docs/reference/chent-1.pngbin34969 -> 34374 bytes
-rw-r--r--docs/reference/chent-22.pngbin12574 -> 0 bytes
-rw-r--r--docs/reference/chent.html81
-rw-r--r--docs/reference/draw_svg.chent.html60
-rw-r--r--docs/reference/index.html180
-rw-r--r--docs/reference/pai.html58
-rw-r--r--docs/reference/plot.chent-1.pngbin34969 -> 34374 bytes
-rw-r--r--docs/reference/plot.chent-11.pngbin12574 -> 0 bytes
-rw-r--r--docs/reference/plot.chent.html68
-rw-r--r--docs/reference/pp.html56
-rw-r--r--docs/reference/print.chent.html60
-rw-r--r--docs/reference/print.pai.html60
12 files changed, 406 insertions, 217 deletions
diff --git a/docs/reference/chent-1.png b/docs/reference/chent-1.png
index 8731cf1..a1798d9 100644
--- a/docs/reference/chent-1.png
+++ b/docs/reference/chent-1.png
Binary files differ
diff --git a/docs/reference/chent-22.png b/docs/reference/chent-22.png
deleted file mode 100644
index 69b3b08..0000000
--- a/docs/reference/chent-22.png
+++ /dev/null
Binary files differ
diff --git a/docs/reference/chent.html b/docs/reference/chent.html
index ef683ef..aa367f6 100644
--- a/docs/reference/chent.html
+++ b/docs/reference/chent.html
@@ -1,6 +1,6 @@
<!-- Generated by pkgdown: do not edit by hand -->
<!DOCTYPE html>
-<html>
+<html lang="en">
<head>
<meta charset="utf-8">
<meta http-equiv="X-UA-Compatible" content="IE=edge">
@@ -9,32 +9,39 @@
<title>An R6 class for chemical entities with associated data — chent • chents</title>
<!-- jquery -->
-<script src="https://code.jquery.com/jquery-3.1.0.min.js" integrity="sha384-nrOSfDHtoPMzJHjVTdCopGqIqeYETSXhZDFyniQ8ZHcVy08QesyHcnOUpMpqnmWq" crossorigin="anonymous"></script>
+<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 href="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/css/bootstrap.min.css" rel="stylesheet" integrity="sha384-BVYiiSIFeK1dGmJRAkycuHAHRg32OmUcww7on3RYdg4Va+PmSTsz/K68vbdEjh4u" crossorigin="anonymous">
-<script src="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha384-Tc5IQib027qvyjSMfHjOMaLkfuWVxZxUPnCJA7l2mCWNIpG9mGCD8wGNIcPD7Txa" crossorigin="anonymous"></script>
+<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>
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-<link href="https://maxcdn.bootstrapcdn.com/font-awesome/4.6.3/css/font-awesome.min.css" rel="stylesheet" integrity="sha384-T8Gy5hrqNKT+hzMclPo118YTQO6cYprQmhrYwIiQ/3axmI1hQomh7Ud2hPOy8SP1" crossorigin="anonymous">
+<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/4.7.0/css/font-awesome.min.css" integrity="sha256-eZrrJcwDc/3uDhsdt61sL2oOBY362qM3lon1gyExkL0=" crossorigin="anonymous" />
<!-- clipboard.js -->
-<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/1.7.1/clipboard.min.js" integrity="sha384-cV+rhyOuRHc9Ub/91rihWcGmMmCXDeksTtCihMupQHSsi8GIIRDG0ThDc3HGQFJ3" crossorigin="anonymous"></script>
+<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.4/clipboard.min.js" integrity="sha256-FiZwavyI2V6+EXO1U+xzLG3IKldpiTFf3153ea9zikQ=" crossorigin="anonymous"></script>
+
+<!-- sticky kit -->
+<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script>
<!-- pkgdown -->
<link href="../pkgdown.css" rel="stylesheet">
-<script src="../jquery.sticky-kit.min.js"></script>
<script src="../pkgdown.js"></script>
-
-
+
+
+
<meta property="og:title" content="An R6 class for chemical entities with associated data — chent" />
<meta property="og:description" content="The class is initialised with an identifier. Chemical information is retrieved from
the internet. Additionally, it can be generated using RDKit if RDKit and its
python bindings are installed and configured for use with PythonInR." />
<meta name="twitter:card" content="summary" />
+
+
+
<!-- mathjax -->
-<script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script>
+<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>
@@ -50,13 +57,18 @@ python bindings are installed and configured for use with PythonInR." />
<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">
+ <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>
- <a class="navbar-brand" href="../index.html">chents</a>
+ <span class="navbar-brand">
+ <a class="navbar-link" href="../index.html">chents</a>
+ <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">0.2.6</span>
+ </span>
</div>
+
<div id="navbar" class="navbar-collapse collapse">
<ul class="nav navbar-nav">
<li>
@@ -71,8 +83,14 @@ python bindings are installed and configured for use with PythonInR." />
</ul>
<ul class="nav navbar-nav navbar-right">
-
+ <li>
+ <a href="https://github.com/jranke/chents">
+ <span class="fa fa-github fa-lg"></span>
+
+ </a>
+</li>
</ul>
+
</div><!--/.nav-collapse -->
</div><!--/.container -->
</div><!--/.navbar -->
@@ -80,17 +98,21 @@ python bindings are installed and configured for use with PythonInR." />
</header>
- <div class="row">
+<div class="row">
<div class="col-md-9 contents">
<div class="page-header">
<h1>An R6 class for chemical entities with associated data</h1>
+ <small class="dont-index">Source: <a href='https://github.com/jranke/chents/blob/master/R/chent.R'><code>R/chent.R</code></a></small>
+ <div class="hidden name"><code>chent.Rd</code></div>
</div>
+ <div class="ref-description">
<p>The class is initialised with an identifier. Chemical information is retrieved from
the internet. Additionally, it can be generated using RDKit if RDKit and its
python bindings are installed and configured for use with PythonInR.</p>
+ </div>
<pre class="usage"><span class='no'>chent</span></pre>
@@ -113,16 +135,21 @@ configured for use with PythonInR</p></dd>
<dt><code>Picture</code></dt><dd><p>Graph as a <code>picture</code> object obtained using grImport</p></dd>
<dt><code>Pict_font_size</code></dt><dd><p>Font size as extracted from the intermediate PostScript file</p></dd>
<dt><code>pdf_height</code></dt><dd><p>Height of the MediaBox in the pdf after cropping</p></dd>
+ <dt><code>p0</code></dt><dd><p>Vapour pressure in Pa</p></dd>
+ <dt><code>cwsat</code></dt><dd><p>Water solubility in mg/L</p></dd>
<dt><code>chyaml</code></dt><dd><p>List of information obtained from a YAML file</p></dd>
- <dt><code>degradation</code></dt><dd><p>List of degradation endpoints</p></dd>
+ <dt><code>soil_degradation</code></dt><dd><p>Dataframe of modelling DT50 values</p></dd>
+ <dt><code>soil_ff</code></dt><dd><p>Dataframe of formation fractions</p></dd>
+ <dt><code>soil_sorption</code></dt><dd><p>Dataframe of soil sorption data</p></dd>
+ <dt><code>PUF</code></dt><dd><p>Plant uptake factor</p></dd>
</dl>
<h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>
<pre class="examples"><div class='input'><span class='no'>oct</span> <span class='kw'>&lt;-</span> <span class='no'>chent</span>$<span class='fu'>new</span>(<span class='st'>"1-octanol"</span>, <span class='kw'>smiles</span> <span class='kw'>=</span> <span class='st'>"CCCCCCCCO"</span>)</div><div class='output co'>#&gt; <span class='message'>PubChem:</span></div><div class='output co'>#&gt; <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/cids/JSON</span></div><div class='output co'>#&gt; <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/property/MolecularFormula,MolecularWeight,CanonicalSMILES,IsomericSMILES,InChI,InChIKey,IUPACName,XLogP,TPSA,Complexity,Charge,HBondDonorCount,HBondAcceptorCount/JSON</span></div><div class='output co'>#&gt; <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/synonyms/JSON</span></div><div class='output co'>#&gt; <span class='message'></span>
-#&gt; <span class='message'>Initialize Python Version 2.7.13 (default, Nov 24 2017, 17:33:09) </span>
-#&gt; <span class='message'>[GCC 6.3.0 20170516]</span></div><div class='output co'>#&gt; <span class='message'>Trying to get chemical information from RDKit using user SMILES</span>
-#&gt; <span class='message'>CCCCCCCCO</span></div><div class='output co'>#&gt; <span class='message'>Loading required namespace: grConvert</span></div><div class='output co'>#&gt; <span class='message'>Did not find chyaml file ./1-octanol.yaml</span></div><div class='input'><span class='fu'>print</span>(<span class='no'>oct</span>)</div><div class='output co'>#&gt; &lt;chent&gt;
+#&gt; <span class='message'>Initialize Python Version 2.7.13 (default, Sep 26 2018, 18:42:22) </span>
+#&gt; <span class='message'>[GCC 6.3.0 20170516]</span></div><div class='output co'>#&gt; <span class='message'>Trying to get chemical information from RDKit using User SMILES</span>
+#&gt; <span class='message'>CCCCCCCCO</span></div><div class='output co'>#&gt; <span class='message'>Lade nötigen Namensraum: grConvert</span></div><div class='output co'>#&gt; <span class='message'>Did not find chyaml file ./1-octanol.yaml</span></div><div class='input'><span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/print'>print</a></span>(<span class='no'>oct</span>)</div><div class='output co'>#&gt; &lt;chent&gt;
#&gt; Identifier $identifier 1-octanol
#&gt; InChI Key $inchikey KBPLFHHGFOOTCA-UHFFFAOYSA-N
#&gt; SMILES string $smiles:
@@ -131,9 +158,9 @@ configured for use with PythonInR</p></dd>
#&gt; Molecular weight $mw: 130.2
#&gt; PubChem synonyms (up to 10):
#&gt; [1] "957" "1-octanol" "Octan-1-ol" "octanol"
-#&gt; [5] "Octyl alcohol" "N-octanol" "111-87-5" "Capryl alcohol"
-#&gt; [9] "caprylic alcohol" "n-Octyl alcohol" </div><div class='input'><span class='fu'>plot</span>(<span class='no'>oct</span>)</div><div class='input'><span class='no'>caffeine</span> <span class='kw'>&lt;-</span> <span class='no'>chent</span>$<span class='fu'>new</span>(<span class='st'>"caffeine"</span>)</div><div class='output co'>#&gt; <span class='message'>PubChem:</span></div><div class='output co'>#&gt; <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/cids/JSON</span></div><div class='output co'>#&gt; <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/property/MolecularFormula,MolecularWeight,CanonicalSMILES,IsomericSMILES,InChI,InChIKey,IUPACName,XLogP,TPSA,Complexity,Charge,HBondDonorCount,HBondAcceptorCount/JSON</span></div><div class='output co'>#&gt; <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/synonyms/JSON</span></div><div class='output co'>#&gt; <span class='message'>Trying to get chemical information from RDKit using PubChem_Canonical SMILES</span>
-#&gt; <span class='message'>CN1C=NC2=C1C(=O)N(C(=O)N2C)C</span></div><div class='output co'>#&gt; <span class='message'>Did not find chyaml file ./caffeine.yaml</span></div><div class='input'><span class='fu'>print</span>(<span class='no'>caffeine</span>)</div><div class='output co'>#&gt; &lt;chent&gt;
+#&gt; [5] "111-87-5" "N-octanol" "Capryl alcohol" "Octyl alcohol"
+#&gt; [9] "caprylic alcohol" "n-Octyl alcohol" </div><div class='input'><span class='fu'><a href='https://www.rdocumentation.org/packages/graphics/topics/plot'>plot</a></span>(<span class='no'>oct</span>)</div><div class='input'><span class='no'>caffeine</span> <span class='kw'>&lt;-</span> <span class='no'>chent</span>$<span class='fu'>new</span>(<span class='st'>"caffeine"</span>)</div><div class='output co'>#&gt; <span class='message'>PubChem:</span></div><div class='output co'>#&gt; <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/cids/JSON</span></div><div class='output co'>#&gt; <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/property/MolecularFormula,MolecularWeight,CanonicalSMILES,IsomericSMILES,InChI,InChIKey,IUPACName,XLogP,TPSA,Complexity,Charge,HBondDonorCount,HBondAcceptorCount/JSON</span></div><div class='output co'>#&gt; <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/synonyms/JSON</span></div><div class='output co'>#&gt; <span class='message'>Trying to get chemical information from RDKit using PubChem_Canonical SMILES</span>
+#&gt; <span class='message'>CN1C=NC2=C1C(=O)N(C(=O)N2C)C</span></div><div class='output co'>#&gt; <span class='message'>Did not find chyaml file ./caffeine.yaml</span></div><div class='input'><span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/print'>print</a></span>(<span class='no'>caffeine</span>)</div><div class='output co'>#&gt; &lt;chent&gt;
#&gt; Identifier $identifier caffeine
#&gt; InChI Key $inchikey RYYVLZVUVIJVGH-UHFFFAOYSA-N
#&gt; SMILES string $smiles:
@@ -142,10 +169,10 @@ configured for use with PythonInR</p></dd>
#&gt; Molecular weight $mw: 194.2
#&gt; PubChem synonyms (up to 10):
#&gt; [1] "2519" "caffeine"
-#&gt; [3] "1,3,7-Trimethylxanthine" "58-08-2"
-#&gt; [5] "Guaranine" "Thein"
+#&gt; [3] "58-08-2" "Guaranine"
+#&gt; [5] "1,3,7-Trimethylxanthine" "Thein"
#&gt; [7] "Cafeina" "Methyltheobromine"
-#&gt; [9] "Koffein" "Mateina" </div><div class='input'><span class='fu'>plot</span>(<span class='no'>caffeine</span>)</div><div class='img'><img src='chent-1.png' alt='' width='700' height='432.632880098887' /></div></pre>
+#&gt; [9] "Koffein" "Mateina" </div><div class='input'><span class='fu'><a href='https://www.rdocumentation.org/packages/graphics/topics/plot'>plot</a></span>(<span class='no'>caffeine</span>)</div><div class='img'><img src='chent-1.png' alt='' width='700' height='433' /></div></pre>
</div>
<div class="col-md-3 hidden-xs hidden-sm" id="sidebar">
<h2>Contents</h2>
@@ -167,11 +194,13 @@ configured for use with PythonInR</p></dd>
</div>
<div class="pkgdown">
- <p>Site built with <a href="http://pkgdown.r-lib.org/">pkgdown</a>.</p>
+ <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.3.0.</p>
</div>
-
</footer>
</div>
+
+
</body>
</html>
+
diff --git a/docs/reference/draw_svg.chent.html b/docs/reference/draw_svg.chent.html
index 5342eca..54fec7c 100644
--- a/docs/reference/draw_svg.chent.html
+++ b/docs/reference/draw_svg.chent.html
@@ -1,6 +1,6 @@
<!-- Generated by pkgdown: do not edit by hand -->
<!DOCTYPE html>
-<html>
+<html lang="en">
<head>
<meta charset="utf-8">
<meta http-equiv="X-UA-Compatible" content="IE=edge">
@@ -9,30 +9,37 @@
<title>Draw SVG graph from a chent object using RDKit — draw_svg.chent • chents</title>
<!-- jquery -->
-<script src="https://code.jquery.com/jquery-3.1.0.min.js" integrity="sha384-nrOSfDHtoPMzJHjVTdCopGqIqeYETSXhZDFyniQ8ZHcVy08QesyHcnOUpMpqnmWq" crossorigin="anonymous"></script>
+<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 href="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/css/bootstrap.min.css" rel="stylesheet" integrity="sha384-BVYiiSIFeK1dGmJRAkycuHAHRg32OmUcww7on3RYdg4Va+PmSTsz/K68vbdEjh4u" crossorigin="anonymous">
-<script src="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha384-Tc5IQib027qvyjSMfHjOMaLkfuWVxZxUPnCJA7l2mCWNIpG9mGCD8wGNIcPD7Txa" crossorigin="anonymous"></script>
+<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>
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-<link href="https://maxcdn.bootstrapcdn.com/font-awesome/4.6.3/css/font-awesome.min.css" rel="stylesheet" integrity="sha384-T8Gy5hrqNKT+hzMclPo118YTQO6cYprQmhrYwIiQ/3axmI1hQomh7Ud2hPOy8SP1" crossorigin="anonymous">
+<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/4.7.0/css/font-awesome.min.css" integrity="sha256-eZrrJcwDc/3uDhsdt61sL2oOBY362qM3lon1gyExkL0=" crossorigin="anonymous" />
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+<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.4/clipboard.min.js" integrity="sha256-FiZwavyI2V6+EXO1U+xzLG3IKldpiTFf3153ea9zikQ=" crossorigin="anonymous"></script>
+
+<!-- sticky kit -->
+<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script>
<!-- pkgdown -->
<link href="../pkgdown.css" rel="stylesheet">
-<script src="../jquery.sticky-kit.min.js"></script>
<script src="../pkgdown.js"></script>
-
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+
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+
<meta property="og:title" content="Draw SVG graph from a chent object using RDKit — draw_svg.chent" />
<meta property="og:description" content="Draw SVG graph from a chent object using RDKit" />
<meta name="twitter:card" content="summary" />
+
+
+
<!-- mathjax -->
-<script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script>
+<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>
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<script src="https://oss.maxcdn.com/html5shiv/3.7.3/html5shiv.min.js"></script>
@@ -48,13 +55,18 @@
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<div class="container">
<div class="navbar-header">
- <button type="button" class="navbar-toggle collapsed" data-toggle="collapse" data-target="#navbar">
+ <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>
- <a class="navbar-brand" href="../index.html">chents</a>
+ <span class="navbar-brand">
+ <a class="navbar-link" href="../index.html">chents</a>
+ <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">0.2.6</span>
+ </span>
</div>
+
<div id="navbar" class="navbar-collapse collapse">
<ul class="nav navbar-nav">
<li>
@@ -69,8 +81,14 @@
</ul>
<ul class="nav navbar-nav navbar-right">
-
+ <li>
+ <a href="https://github.com/jranke/chents">
+ <span class="fa fa-github fa-lg"></span>
+
+ </a>
+</li>
</ul>
+
</div><!--/.nav-collapse -->
</div><!--/.container -->
</div><!--/.navbar -->
@@ -78,20 +96,24 @@
</header>
- <div class="row">
+<div class="row">
<div class="col-md-9 contents">
<div class="page-header">
<h1>Draw SVG graph from a chent object using RDKit</h1>
+ <small class="dont-index">Source: <a href='https://github.com/jranke/chents/blob/master/R/chent.R'><code>R/chent.R</code></a></small>
+ <div class="hidden name"><code>draw_svg.chent.Rd</code></div>
</div>
+ <div class="ref-description">
<p>Draw SVG graph from a chent object using RDKit</p>
+ </div>
<pre class="usage"><span class='fu'>draw_svg.chent</span>(<span class='no'>x</span>, <span class='kw'>width</span> <span class='kw'>=</span> <span class='fl'>300</span>, <span class='kw'>height</span> <span class='kw'>=</span> <span class='fl'>150</span>,
- <span class='kw'>filename</span> <span class='kw'>=</span> <span class='fu'>paste0</span>(<span class='fu'>names</span>(<span class='no'>x</span>$<span class='no'>identifier</span>), <span class='st'>".svg"</span>), <span class='kw'>subdir</span> <span class='kw'>=</span> <span class='st'>"svg"</span>)</pre>
+ <span class='kw'>filename</span> <span class='kw'>=</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/paste'>paste0</a></span>(<span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/names'>names</a></span>(<span class='no'>x</span>$<span class='no'>identifier</span>), <span class='st'>".svg"</span>), <span class='kw'>subdir</span> <span class='kw'>=</span> <span class='st'>"svg"</span>)</pre>
- <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a> Arguments</h2>
+ <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>
@@ -133,11 +155,13 @@
</div>
<div class="pkgdown">
- <p>Site built with <a href="http://pkgdown.r-lib.org/">pkgdown</a>.</p>
+ <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.3.0.</p>
</div>
-
</footer>
</div>
+
+
</body>
</html>
+
diff --git a/docs/reference/index.html b/docs/reference/index.html
index 29771c9..e05a1c4 100644
--- a/docs/reference/index.html
+++ b/docs/reference/index.html
@@ -1,6 +1,6 @@
<!-- Generated by pkgdown: do not edit by hand -->
<!DOCTYPE html>
-<html>
+<html lang="en">
<head>
<meta charset="utf-8">
<meta http-equiv="X-UA-Compatible" content="IE=edge">
@@ -9,27 +9,34 @@
<title>Function reference • chents</title>
<!-- jquery -->
-<script src="https://code.jquery.com/jquery-3.1.0.min.js" integrity="sha384-nrOSfDHtoPMzJHjVTdCopGqIqeYETSXhZDFyniQ8ZHcVy08QesyHcnOUpMpqnmWq" crossorigin="anonymous"></script>
+<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 href="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/css/bootstrap.min.css" rel="stylesheet" integrity="sha384-BVYiiSIFeK1dGmJRAkycuHAHRg32OmUcww7on3RYdg4Va+PmSTsz/K68vbdEjh4u" crossorigin="anonymous">
-<script src="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha384-Tc5IQib027qvyjSMfHjOMaLkfuWVxZxUPnCJA7l2mCWNIpG9mGCD8wGNIcPD7Txa" crossorigin="anonymous"></script>
+<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 href="https://maxcdn.bootstrapcdn.com/font-awesome/4.6.3/css/font-awesome.min.css" rel="stylesheet" integrity="sha384-T8Gy5hrqNKT+hzMclPo118YTQO6cYprQmhrYwIiQ/3axmI1hQomh7Ud2hPOy8SP1" crossorigin="anonymous">
+<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/4.7.0/css/font-awesome.min.css" integrity="sha256-eZrrJcwDc/3uDhsdt61sL2oOBY362qM3lon1gyExkL0=" crossorigin="anonymous" />
<!-- clipboard.js -->
-<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/1.7.1/clipboard.min.js" integrity="sha384-cV+rhyOuRHc9Ub/91rihWcGmMmCXDeksTtCihMupQHSsi8GIIRDG0ThDc3HGQFJ3" crossorigin="anonymous"></script>
+<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.4/clipboard.min.js" integrity="sha256-FiZwavyI2V6+EXO1U+xzLG3IKldpiTFf3153ea9zikQ=" crossorigin="anonymous"></script>
+
+<!-- sticky kit -->
+<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script>
<!-- pkgdown -->
<link href="../pkgdown.css" rel="stylesheet">
-<script src="../jquery.sticky-kit.min.js"></script>
<script src="../pkgdown.js"></script>
-
-
+
+
+
<meta property="og:title" content="Function reference" />
+
+
+
<!-- mathjax -->
-<script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script>
+<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>
@@ -45,13 +52,18 @@
<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">
+ <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>
- <a class="navbar-brand" href="../index.html">chents</a>
+ <span class="navbar-brand">
+ <a class="navbar-link" href="../index.html">chents</a>
+ <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">0.2.6</span>
+ </span>
</div>
+
<div id="navbar" class="navbar-collapse collapse">
<ul class="nav navbar-nav">
<li>
@@ -66,8 +78,14 @@
</ul>
<ul class="nav navbar-nav navbar-right">
-
+ <li>
+ <a href="https://github.com/jranke/chents">
+ <span class="fa fa-github fa-lg"></span>
+
+ </a>
+</li>
</ul>
+
</div><!--/.nav-collapse -->
</div><!--/.container -->
</div><!--/.navbar -->
@@ -75,76 +93,72 @@
</header>
- <div class="row">
- <div class="col-md-9">
+<div class="row">
+ <div class="contents col-md-9">
<div class="page-header">
- <h1>
- Reference
- <small>version&nbsp;0.2-6</small>
- </h1>
+ <h1>Reference</h1>
</div>
- <div class="contents">
- <table class="ref-index">
-
- <colgroup>
- <col class="alias" />
- <col class="title" />
- </colgroup>
-
- <tbody>
- <tr>
- <th colspan="2">
- <h2 id="section-r-class-definitions-and-methods" class="hasAnchor"><a href="#section-r-class-definitions-and-methods" class="anchor"></a>R6 Class definitions and methods</h2>
- <p class="section-desc"></p>
- </th>
- </tr>
- <tr>
- <!-- -->
- <td>
- <p><code><a href="chent.html">chent</a></code> </p>
- </td>
- <td><p>An R6 class for chemical entities with associated data</p></td>
- </tr><tr>
- <!-- -->
- <td>
- <p><code><a href="draw_svg.chent.html">draw_svg.chent</a></code> </p>
- </td>
- <td><p>Draw SVG graph from a chent object using RDKit</p></td>
- </tr><tr>
- <!-- -->
- <td>
- <p><code><a href="plot.chent.html">plot</a></code> </p>
- </td>
- <td><p>Plot method for chent objects</p></td>
- </tr><tr>
- <!-- -->
- <td>
- <p><code><a href="print.chent.html">print</a></code> </p>
- </td>
- <td><p>Printing method for chent objects</p></td>
- </tr><tr>
- <!-- -->
- <td>
- <p><code><a href="pai.html">pai</a></code> </p>
- </td>
- <td><p>An R6 class for pesticidal active ingredients and associated data</p></td>
- </tr><tr>
- <!-- -->
- <td>
- <p><code><a href="print.pai.html">print</a></code> </p>
- </td>
- <td><p>Printing method for pai objects (pesticidal active ingredients)</p></td>
- </tr><tr>
- <!-- -->
- <td>
- <p><code><a href="pp.html">pp</a></code> </p>
- </td>
- <td><p>R6 class for holding a product with at least one active ingredient</p></td>
- </tr>
- </tbody>
- </table>
- </div>
+ <table class="ref-index">
+
+ <colgroup>
+
+ <col class="alias" />
+ <col class="title" />
+ </colgroup>
+
+ <tbody>
+ <tr>
+ <th colspan="2">
+ <h2 id="section-r-class-definitions-and-methods" class="hasAnchor"><a href="#section-r-class-definitions-and-methods" class="anchor"></a>R6 Class definitions and methods</h2>
+ <p class="section-desc"></p>
+ </th>
+ </tr>
+ <tr>
+
+ <td>
+ <p><code><a href="chent.html">chent</a></code> </p>
+ </td>
+ <td><p>An R6 class for chemical entities with associated data</p></td>
+ </tr><tr>
+
+ <td>
+ <p><code><a href="draw_svg.chent.html">draw_svg.chent()</a></code> </p>
+ </td>
+ <td><p>Draw SVG graph from a chent object using RDKit</p></td>
+ </tr><tr>
+
+ <td>
+ <p><code><a href="plot.chent.html">plot(<i>&lt;chent&gt;</i>)</a></code> </p>
+ </td>
+ <td><p>Plot method for chent objects</p></td>
+ </tr><tr>
+
+ <td>
+ <p><code><a href="print.chent.html">print(<i>&lt;chent&gt;</i>)</a></code> </p>
+ </td>
+ <td><p>Printing method for chent objects</p></td>
+ </tr><tr>
+
+ <td>
+ <p><code><a href="pai.html">pai</a></code> </p>
+ </td>
+ <td><p>An R6 class for pesticidal active ingredients and associated data</p></td>
+ </tr><tr>
+
+ <td>
+ <p><code><a href="print.pai.html">print(<i>&lt;pai&gt;</i>)</a></code> </p>
+ </td>
+ <td><p>Printing method for pai objects (pesticidal active ingredients)</p></td>
+ </tr><tr>
+
+ <td>
+ <p><code><a href="pp.html">pp</a></code> </p>
+ </td>
+ <td><p>R6 class for holding a product with at least one active ingredient</p></td>
+ </tr>
+ </tbody>
+ </table>
</div>
<div class="col-md-3 hidden-xs hidden-sm" id="sidebar">
@@ -161,11 +175,13 @@
</div>
<div class="pkgdown">
- <p>Site built with <a href="http://pkgdown.r-lib.org/">pkgdown</a>.</p>
+ <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.3.0.</p>
</div>
-
</footer>
</div>
+
+
</body>
</html>
+
diff --git a/docs/reference/pai.html b/docs/reference/pai.html
index 30a5b77..d90bcc9 100644
--- a/docs/reference/pai.html
+++ b/docs/reference/pai.html
@@ -1,6 +1,6 @@
<!-- Generated by pkgdown: do not edit by hand -->
<!DOCTYPE html>
-<html>
+<html lang="en">
<head>
<meta charset="utf-8">
<meta http-equiv="X-UA-Compatible" content="IE=edge">
@@ -9,31 +9,38 @@
<title>An R6 class for pesticidal active ingredients and associated data — pai • chents</title>
<!-- jquery -->
-<script src="https://code.jquery.com/jquery-3.1.0.min.js" integrity="sha384-nrOSfDHtoPMzJHjVTdCopGqIqeYETSXhZDFyniQ8ZHcVy08QesyHcnOUpMpqnmWq" crossorigin="anonymous"></script>
+<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 href="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/css/bootstrap.min.css" rel="stylesheet" integrity="sha384-BVYiiSIFeK1dGmJRAkycuHAHRg32OmUcww7on3RYdg4Va+PmSTsz/K68vbdEjh4u" crossorigin="anonymous">
-<script src="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha384-Tc5IQib027qvyjSMfHjOMaLkfuWVxZxUPnCJA7l2mCWNIpG9mGCD8wGNIcPD7Txa" crossorigin="anonymous"></script>
+<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 href="https://maxcdn.bootstrapcdn.com/font-awesome/4.6.3/css/font-awesome.min.css" rel="stylesheet" integrity="sha384-T8Gy5hrqNKT+hzMclPo118YTQO6cYprQmhrYwIiQ/3axmI1hQomh7Ud2hPOy8SP1" crossorigin="anonymous">
+<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/4.7.0/css/font-awesome.min.css" integrity="sha256-eZrrJcwDc/3uDhsdt61sL2oOBY362qM3lon1gyExkL0=" crossorigin="anonymous" />
<!-- clipboard.js -->
-<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/1.7.1/clipboard.min.js" integrity="sha384-cV+rhyOuRHc9Ub/91rihWcGmMmCXDeksTtCihMupQHSsi8GIIRDG0ThDc3HGQFJ3" crossorigin="anonymous"></script>
+<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.4/clipboard.min.js" integrity="sha256-FiZwavyI2V6+EXO1U+xzLG3IKldpiTFf3153ea9zikQ=" crossorigin="anonymous"></script>
+
+<!-- sticky kit -->
+<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script>
<!-- pkgdown -->
<link href="../pkgdown.css" rel="stylesheet">
-<script src="../jquery.sticky-kit.min.js"></script>
<script src="../pkgdown.js"></script>
-
-
+
+
+
<meta property="og:title" content="An R6 class for pesticidal active ingredients and associated data — pai" />
<meta property="og:description" content="The class is initialised with an identifier which is generally an ISO common name.
Additional chemical information is retrieved from the internet if available." />
<meta name="twitter:card" content="summary" />
+
+
+
<!-- mathjax -->
-<script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script>
+<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>
@@ -49,13 +56,18 @@ Additional chemical information is retrieved from the internet if available." />
<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">
+ <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>
- <a class="navbar-brand" href="../index.html">chents</a>
+ <span class="navbar-brand">
+ <a class="navbar-link" href="../index.html">chents</a>
+ <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">0.2.6</span>
+ </span>
</div>
+
<div id="navbar" class="navbar-collapse collapse">
<ul class="nav navbar-nav">
<li>
@@ -70,8 +82,14 @@ Additional chemical information is retrieved from the internet if available." />
</ul>
<ul class="nav navbar-nav navbar-right">
-
+ <li>
+ <a href="https://github.com/jranke/chents">
+ <span class="fa fa-github fa-lg"></span>
+
+ </a>
+</li>
</ul>
+
</div><!--/.nav-collapse -->
</div><!--/.container -->
</div><!--/.navbar -->
@@ -79,16 +97,20 @@ Additional chemical information is retrieved from the internet if available." />
</header>
- <div class="row">
+<div class="row">
<div class="col-md-9 contents">
<div class="page-header">
<h1>An R6 class for pesticidal active ingredients and associated data</h1>
+ <small class="dont-index">Source: <a href='https://github.com/jranke/chents/blob/master/R/chent.R'><code>R/chent.R</code></a></small>
+ <div class="hidden name"><code>pai.Rd</code></div>
</div>
+ <div class="ref-description">
<p>The class is initialised with an identifier which is generally an ISO common name.
Additional chemical information is retrieved from the internet if available.</p>
+ </div>
<pre class="usage"><span class='no'>pai</span></pre>
@@ -107,7 +129,7 @@ Additional chemical information is retrieved from the internet if available.</p>
<h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>
<pre class="examples"><div class='input'><span class='no'>atr</span> <span class='kw'>&lt;-</span> <span class='no'>pai</span>$<span class='fu'>new</span>(<span class='st'>"atrazine"</span>)</div><div class='output co'>#&gt; <span class='message'>alanwood.net:</span></div><div class='output co'>#&gt; <span class='message'>Querying atrazine.html</span></div><div class='output co'>#&gt; <span class='message'>PubChem:</span></div><div class='output co'>#&gt; <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/cids/JSON</span></div><div class='output co'>#&gt; <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/property/MolecularFormula,MolecularWeight,CanonicalSMILES,IsomericSMILES,InChI,InChIKey,IUPACName,XLogP,TPSA,Complexity,Charge,HBondDonorCount,HBondAcceptorCount/JSON</span></div><div class='output co'>#&gt; <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/synonyms/JSON</span></div><div class='output co'>#&gt; <span class='message'>Trying to get chemical information from RDKit using PubChem_Canonical SMILES</span>
-#&gt; <span class='message'>CCNC1=NC(=NC(=N1)Cl)NC(C)C</span></div><div class='output co'>#&gt; <span class='message'>Did not find chyaml file ./atrazine.yaml</span></div><div class='input'><span class='fu'>print</span>(<span class='no'>atr</span>)</div><div class='output co'>#&gt; &lt;pai&gt; with ISO common name $iso atrazine
+#&gt; <span class='message'>CCNC1=NC(=NC(=N1)Cl)NC(C)C</span></div><div class='output co'>#&gt; <span class='message'>Did not find chyaml file ./atrazine.yaml</span></div><div class='input'><span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/print'>print</a></span>(<span class='no'>atr</span>)</div><div class='output co'>#&gt; &lt;pai&gt; with ISO common name $iso atrazine
#&gt; &lt;chent&gt;
#&gt; Identifier $identifier atrazine
#&gt; InChI Key $inchikey MXWJVTOOROXGIU-UHFFFAOYSA-N
@@ -139,11 +161,13 @@ Additional chemical information is retrieved from the internet if available.</p>
</div>
<div class="pkgdown">
- <p>Site built with <a href="http://pkgdown.r-lib.org/">pkgdown</a>.</p>
+ <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.3.0.</p>
</div>
-
</footer>
</div>
+
+
</body>
</html>
+
diff --git a/docs/reference/plot.chent-1.png b/docs/reference/plot.chent-1.png
index 8731cf1..a1798d9 100644
--- a/docs/reference/plot.chent-1.png
+++ b/docs/reference/plot.chent-1.png
Binary files differ
diff --git a/docs/reference/plot.chent-11.png b/docs/reference/plot.chent-11.png
deleted file mode 100644
index 69b3b08..0000000
--- a/docs/reference/plot.chent-11.png
+++ /dev/null
Binary files differ
diff --git a/docs/reference/plot.chent.html b/docs/reference/plot.chent.html
index cc3b96b..cde7a87 100644
--- a/docs/reference/plot.chent.html
+++ b/docs/reference/plot.chent.html
@@ -1,6 +1,6 @@
<!-- Generated by pkgdown: do not edit by hand -->
<!DOCTYPE html>
-<html>
+<html lang="en">
<head>
<meta charset="utf-8">
<meta http-equiv="X-UA-Compatible" content="IE=edge">
@@ -9,30 +9,37 @@
<title>Plot method for chent objects — plot.chent • chents</title>
<!-- jquery -->
-<script src="https://code.jquery.com/jquery-3.1.0.min.js" integrity="sha384-nrOSfDHtoPMzJHjVTdCopGqIqeYETSXhZDFyniQ8ZHcVy08QesyHcnOUpMpqnmWq" crossorigin="anonymous"></script>
+<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.3.1/jquery.min.js" integrity="sha256-FgpCb/KJQlLNfOu91ta32o/NMZxltwRo8QtmkMRdAu8=" crossorigin="anonymous"></script>
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-<link href="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/css/bootstrap.min.css" rel="stylesheet" integrity="sha384-BVYiiSIFeK1dGmJRAkycuHAHRg32OmUcww7on3RYdg4Va+PmSTsz/K68vbdEjh4u" crossorigin="anonymous">
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+<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha256-U5ZEeKfGNOja007MMD3YBI0A3OSZOQbeG6z2f2Y0hu8=" crossorigin="anonymous"></script>
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+<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/4.7.0/css/font-awesome.min.css" integrity="sha256-eZrrJcwDc/3uDhsdt61sL2oOBY362qM3lon1gyExkL0=" crossorigin="anonymous" />
<!-- clipboard.js -->
-<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/1.7.1/clipboard.min.js" integrity="sha384-cV+rhyOuRHc9Ub/91rihWcGmMmCXDeksTtCihMupQHSsi8GIIRDG0ThDc3HGQFJ3" crossorigin="anonymous"></script>
+<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.4/clipboard.min.js" integrity="sha256-FiZwavyI2V6+EXO1U+xzLG3IKldpiTFf3153ea9zikQ=" crossorigin="anonymous"></script>
+
+<!-- sticky kit -->
+<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script>
<!-- pkgdown -->
<link href="../pkgdown.css" rel="stylesheet">
-<script src="../jquery.sticky-kit.min.js"></script>
<script src="../pkgdown.js"></script>
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+
<meta property="og:title" content="Plot method for chent objects — plot.chent" />
<meta property="og:description" content="Plot method for chent objects" />
<meta name="twitter:card" content="summary" />
+
+
+
<!-- mathjax -->
-<script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script>
+<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>
@@ -48,13 +55,18 @@
<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">
+ <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>
- <a class="navbar-brand" href="../index.html">chents</a>
+ <span class="navbar-brand">
+ <a class="navbar-link" href="../index.html">chents</a>
+ <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">0.2.6</span>
+ </span>
</div>
+
<div id="navbar" class="navbar-collapse collapse">
<ul class="nav navbar-nav">
<li>
@@ -69,8 +81,14 @@
</ul>
<ul class="nav navbar-nav navbar-right">
-
+ <li>
+ <a href="https://github.com/jranke/chents">
+ <span class="fa fa-github fa-lg"></span>
+
+ </a>
+</li>
</ul>
+
</div><!--/.nav-collapse -->
</div><!--/.container -->
</div><!--/.navbar -->
@@ -78,20 +96,24 @@
</header>
- <div class="row">
+<div class="row">
<div class="col-md-9 contents">
<div class="page-header">
<h1>Plot method for chent objects</h1>
+ <small class="dont-index">Source: <a href='https://github.com/jranke/chents/blob/master/R/chent.R'><code>R/chent.R</code></a></small>
+ <div class="hidden name"><code>plot.chent.Rd</code></div>
</div>
+ <div class="ref-description">
<p>Plot method for chent objects</p>
+ </div>
<pre class="usage"><span class='co'># S3 method for chent</span>
-<span class='fu'>plot</span>(<span class='no'>x</span>, <span class='no'>...</span>)</pre>
+<span class='fu'><a href='https://www.rdocumentation.org/packages/graphics/topics/plot'>plot</a></span>(<span class='no'>x</span>, <span class='no'>...</span>)</pre>
- <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a> Arguments</h2>
+ <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>
@@ -107,7 +129,7 @@
<h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>
<pre class="examples"><div class='input'><span class='no'>caffeine</span> <span class='kw'>&lt;-</span> <span class='no'>chent</span>$<span class='fu'>new</span>(<span class='st'>"caffeine"</span>)</div><div class='output co'>#&gt; <span class='message'>PubChem:</span></div><div class='output co'>#&gt; <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/cids/JSON</span></div><div class='output co'>#&gt; <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/property/MolecularFormula,MolecularWeight,CanonicalSMILES,IsomericSMILES,InChI,InChIKey,IUPACName,XLogP,TPSA,Complexity,Charge,HBondDonorCount,HBondAcceptorCount/JSON</span></div><div class='output co'>#&gt; <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/synonyms/JSON</span></div><div class='output co'>#&gt; <span class='message'>Trying to get chemical information from RDKit using PubChem_Canonical SMILES</span>
-#&gt; <span class='message'>CN1C=NC2=C1C(=O)N(C(=O)N2C)C</span></div><div class='output co'>#&gt; <span class='message'>Did not find chyaml file ./caffeine.yaml</span></div><div class='input'><span class='fu'>print</span>(<span class='no'>caffeine</span>)</div><div class='output co'>#&gt; &lt;chent&gt;
+#&gt; <span class='message'>CN1C=NC2=C1C(=O)N(C(=O)N2C)C</span></div><div class='output co'>#&gt; <span class='message'>Did not find chyaml file ./caffeine.yaml</span></div><div class='input'><span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/print'>print</a></span>(<span class='no'>caffeine</span>)</div><div class='output co'>#&gt; &lt;chent&gt;
#&gt; Identifier $identifier caffeine
#&gt; InChI Key $inchikey RYYVLZVUVIJVGH-UHFFFAOYSA-N
#&gt; SMILES string $smiles:
@@ -116,10 +138,10 @@
#&gt; Molecular weight $mw: 194.2
#&gt; PubChem synonyms (up to 10):
#&gt; [1] "2519" "caffeine"
-#&gt; [3] "1,3,7-Trimethylxanthine" "58-08-2"
-#&gt; [5] "Guaranine" "Thein"
+#&gt; [3] "58-08-2" "Guaranine"
+#&gt; [5] "1,3,7-Trimethylxanthine" "Thein"
#&gt; [7] "Cafeina" "Methyltheobromine"
-#&gt; [9] "Koffein" "Mateina" </div><div class='input'><span class='fu'>plot</span>(<span class='no'>caffeine</span>)</div><div class='img'><img src='plot.chent-1.png' alt='' width='700' height='432.632880098887' /></div></pre>
+#&gt; [9] "Koffein" "Mateina" </div><div class='input'><span class='fu'><a href='https://www.rdocumentation.org/packages/graphics/topics/plot'>plot</a></span>(<span class='no'>caffeine</span>)</div><div class='img'><img src='plot.chent-1.png' alt='' width='700' height='433' /></div></pre>
</div>
<div class="col-md-3 hidden-xs hidden-sm" id="sidebar">
<h2>Contents</h2>
@@ -138,11 +160,13 @@
</div>
<div class="pkgdown">
- <p>Site built with <a href="http://pkgdown.r-lib.org/">pkgdown</a>.</p>
+ <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.3.0.</p>
</div>
-
</footer>
</div>
+
+
</body>
</html>
+
diff --git a/docs/reference/pp.html b/docs/reference/pp.html
index 538b885..8dbed29 100644
--- a/docs/reference/pp.html
+++ b/docs/reference/pp.html
@@ -1,6 +1,6 @@
<!-- Generated by pkgdown: do not edit by hand -->
<!DOCTYPE html>
-<html>
+<html lang="en">
<head>
<meta charset="utf-8">
<meta http-equiv="X-UA-Compatible" content="IE=edge">
@@ -9,30 +9,37 @@
<title>R6 class for holding a product with at least one active ingredient — pp • chents</title>
<!-- jquery -->
-<script src="https://code.jquery.com/jquery-3.1.0.min.js" integrity="sha384-nrOSfDHtoPMzJHjVTdCopGqIqeYETSXhZDFyniQ8ZHcVy08QesyHcnOUpMpqnmWq" crossorigin="anonymous"></script>
+<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 href="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/css/bootstrap.min.css" rel="stylesheet" integrity="sha384-BVYiiSIFeK1dGmJRAkycuHAHRg32OmUcww7on3RYdg4Va+PmSTsz/K68vbdEjh4u" crossorigin="anonymous">
-<script src="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha384-Tc5IQib027qvyjSMfHjOMaLkfuWVxZxUPnCJA7l2mCWNIpG9mGCD8wGNIcPD7Txa" crossorigin="anonymous"></script>
+<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>
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+<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/4.7.0/css/font-awesome.min.css" integrity="sha256-eZrrJcwDc/3uDhsdt61sL2oOBY362qM3lon1gyExkL0=" crossorigin="anonymous" />
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+<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.4/clipboard.min.js" integrity="sha256-FiZwavyI2V6+EXO1U+xzLG3IKldpiTFf3153ea9zikQ=" crossorigin="anonymous"></script>
+
+<!-- sticky kit -->
+<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script>
<!-- pkgdown -->
<link href="../pkgdown.css" rel="stylesheet">
-<script src="../jquery.sticky-kit.min.js"></script>
<script src="../pkgdown.js"></script>
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+
+
+
<meta property="og:title" content="R6 class for holding a product with at least one active ingredient — pp" />
<meta property="og:description" content="An R6 class for holding information about a product with at least one active ingredient" />
<meta name="twitter:card" content="summary" />
+
+
+
<!-- mathjax -->
-<script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script>
+<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>
@@ -48,13 +55,18 @@
<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">
+ <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>
- <a class="navbar-brand" href="../index.html">chents</a>
+ <span class="navbar-brand">
+ <a class="navbar-link" href="../index.html">chents</a>
+ <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">0.2.6</span>
+ </span>
</div>
+
<div id="navbar" class="navbar-collapse collapse">
<ul class="nav navbar-nav">
<li>
@@ -69,8 +81,14 @@
</ul>
<ul class="nav navbar-nav navbar-right">
-
+ <li>
+ <a href="https://github.com/jranke/chents">
+ <span class="fa fa-github fa-lg"></span>
+
+ </a>
+</li>
</ul>
+
</div><!--/.nav-collapse -->
</div><!--/.container -->
</div><!--/.navbar -->
@@ -78,15 +96,19 @@
</header>
- <div class="row">
+<div class="row">
<div class="col-md-9 contents">
<div class="page-header">
<h1>R6 class for holding a product with at least one active ingredient</h1>
+ <small class="dont-index">Source: <a href='https://github.com/jranke/chents/blob/master/R/chent.R'><code>R/chent.R</code></a></small>
+ <div class="hidden name"><code>pp.Rd</code></div>
</div>
+ <div class="ref-description">
<p>An R6 class for holding information about a product with at least one active ingredient</p>
+ </div>
<pre class="usage"><span class='no'>pp</span></pre>
@@ -124,11 +146,13 @@
</div>
<div class="pkgdown">
- <p>Site built with <a href="http://pkgdown.r-lib.org/">pkgdown</a>.</p>
+ <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.3.0.</p>
</div>
-
</footer>
</div>
+
+
</body>
</html>
+
diff --git a/docs/reference/print.chent.html b/docs/reference/print.chent.html
index 81fde0d..8ab91bc 100644
--- a/docs/reference/print.chent.html
+++ b/docs/reference/print.chent.html
@@ -1,6 +1,6 @@
<!-- Generated by pkgdown: do not edit by hand -->
<!DOCTYPE html>
-<html>
+<html lang="en">
<head>
<meta charset="utf-8">
<meta http-equiv="X-UA-Compatible" content="IE=edge">
@@ -9,30 +9,37 @@
<title>Printing method for chent objects — print.chent • chents</title>
<!-- jquery -->
-<script src="https://code.jquery.com/jquery-3.1.0.min.js" integrity="sha384-nrOSfDHtoPMzJHjVTdCopGqIqeYETSXhZDFyniQ8ZHcVy08QesyHcnOUpMpqnmWq" crossorigin="anonymous"></script>
+<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 href="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/css/bootstrap.min.css" rel="stylesheet" integrity="sha384-BVYiiSIFeK1dGmJRAkycuHAHRg32OmUcww7on3RYdg4Va+PmSTsz/K68vbdEjh4u" crossorigin="anonymous">
-<script src="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha384-Tc5IQib027qvyjSMfHjOMaLkfuWVxZxUPnCJA7l2mCWNIpG9mGCD8wGNIcPD7Txa" crossorigin="anonymous"></script>
+<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>
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+<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/4.7.0/css/font-awesome.min.css" integrity="sha256-eZrrJcwDc/3uDhsdt61sL2oOBY362qM3lon1gyExkL0=" crossorigin="anonymous" />
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+<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.4/clipboard.min.js" integrity="sha256-FiZwavyI2V6+EXO1U+xzLG3IKldpiTFf3153ea9zikQ=" crossorigin="anonymous"></script>
+
+<!-- sticky kit -->
+<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script>
<!-- pkgdown -->
<link href="../pkgdown.css" rel="stylesheet">
-<script src="../jquery.sticky-kit.min.js"></script>
<script src="../pkgdown.js"></script>
-
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+
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+
<meta property="og:title" content="Printing method for chent objects — print.chent" />
<meta property="og:description" content="Printing method for chent objects" />
<meta name="twitter:card" content="summary" />
+
+
+
<!-- mathjax -->
-<script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script>
+<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>
@@ -48,13 +55,18 @@
<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">
+ <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>
- <a class="navbar-brand" href="../index.html">chents</a>
+ <span class="navbar-brand">
+ <a class="navbar-link" href="../index.html">chents</a>
+ <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">0.2.6</span>
+ </span>
</div>
+
<div id="navbar" class="navbar-collapse collapse">
<ul class="nav navbar-nav">
<li>
@@ -69,8 +81,14 @@
</ul>
<ul class="nav navbar-nav navbar-right">
-
+ <li>
+ <a href="https://github.com/jranke/chents">
+ <span class="fa fa-github fa-lg"></span>
+
+ </a>
+</li>
</ul>
+
</div><!--/.nav-collapse -->
</div><!--/.container -->
</div><!--/.navbar -->
@@ -78,20 +96,24 @@
</header>
- <div class="row">
+<div class="row">
<div class="col-md-9 contents">
<div class="page-header">
<h1>Printing method for chent objects</h1>
+ <small class="dont-index">Source: <a href='https://github.com/jranke/chents/blob/master/R/chent.R'><code>R/chent.R</code></a></small>
+ <div class="hidden name"><code>print.chent.Rd</code></div>
</div>
+ <div class="ref-description">
<p>Printing method for chent objects</p>
+ </div>
<pre class="usage"><span class='co'># S3 method for chent</span>
-<span class='fu'>print</span>(<span class='no'>x</span>, <span class='no'>...</span>)</pre>
+<span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/print'>print</a></span>(<span class='no'>x</span>, <span class='no'>...</span>)</pre>
- <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a> Arguments</h2>
+ <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>
@@ -121,11 +143,13 @@
</div>
<div class="pkgdown">
- <p>Site built with <a href="http://pkgdown.r-lib.org/">pkgdown</a>.</p>
+ <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.3.0.</p>
</div>
-
</footer>
</div>
+
+
</body>
</html>
+
diff --git a/docs/reference/print.pai.html b/docs/reference/print.pai.html
index 08966de..7f8c6f3 100644
--- a/docs/reference/print.pai.html
+++ b/docs/reference/print.pai.html
@@ -1,6 +1,6 @@
<!-- Generated by pkgdown: do not edit by hand -->
<!DOCTYPE html>
-<html>
+<html lang="en">
<head>
<meta charset="utf-8">
<meta http-equiv="X-UA-Compatible" content="IE=edge">
@@ -9,30 +9,37 @@
<title>Printing method for pai objects (pesticidal active ingredients) — print.pai • chents</title>
<!-- jquery -->
-<script src="https://code.jquery.com/jquery-3.1.0.min.js" integrity="sha384-nrOSfDHtoPMzJHjVTdCopGqIqeYETSXhZDFyniQ8ZHcVy08QesyHcnOUpMpqnmWq" crossorigin="anonymous"></script>
+<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 href="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/css/bootstrap.min.css" rel="stylesheet" integrity="sha384-BVYiiSIFeK1dGmJRAkycuHAHRg32OmUcww7on3RYdg4Va+PmSTsz/K68vbdEjh4u" crossorigin="anonymous">
-<script src="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha384-Tc5IQib027qvyjSMfHjOMaLkfuWVxZxUPnCJA7l2mCWNIpG9mGCD8wGNIcPD7Txa" crossorigin="anonymous"></script>
+<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 href="https://maxcdn.bootstrapcdn.com/font-awesome/4.6.3/css/font-awesome.min.css" rel="stylesheet" integrity="sha384-T8Gy5hrqNKT+hzMclPo118YTQO6cYprQmhrYwIiQ/3axmI1hQomh7Ud2hPOy8SP1" crossorigin="anonymous">
+<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/4.7.0/css/font-awesome.min.css" integrity="sha256-eZrrJcwDc/3uDhsdt61sL2oOBY362qM3lon1gyExkL0=" crossorigin="anonymous" />
<!-- clipboard.js -->
-<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/1.7.1/clipboard.min.js" integrity="sha384-cV+rhyOuRHc9Ub/91rihWcGmMmCXDeksTtCihMupQHSsi8GIIRDG0ThDc3HGQFJ3" crossorigin="anonymous"></script>
+<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.4/clipboard.min.js" integrity="sha256-FiZwavyI2V6+EXO1U+xzLG3IKldpiTFf3153ea9zikQ=" crossorigin="anonymous"></script>
+
+<!-- sticky kit -->
+<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script>
<!-- pkgdown -->
<link href="../pkgdown.css" rel="stylesheet">
-<script src="../jquery.sticky-kit.min.js"></script>
<script src="../pkgdown.js"></script>
-
-
+
+
+
<meta property="og:title" content="Printing method for pai objects (pesticidal active ingredients) — print.pai" />
<meta property="og:description" content="Printing method for pai objects (pesticidal active ingredients)" />
<meta name="twitter:card" content="summary" />
+
+
+
<!-- mathjax -->
-<script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script>
+<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>
@@ -48,13 +55,18 @@
<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">
+ <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>
- <a class="navbar-brand" href="../index.html">chents</a>
+ <span class="navbar-brand">
+ <a class="navbar-link" href="../index.html">chents</a>
+ <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">0.2.6</span>
+ </span>
</div>
+
<div id="navbar" class="navbar-collapse collapse">
<ul class="nav navbar-nav">
<li>
@@ -69,8 +81,14 @@
</ul>
<ul class="nav navbar-nav navbar-right">
-
+ <li>
+ <a href="https://github.com/jranke/chents">
+ <span class="fa fa-github fa-lg"></span>
+
+ </a>
+</li>
</ul>
+
</div><!--/.nav-collapse -->
</div><!--/.container -->
</div><!--/.navbar -->
@@ -78,20 +96,24 @@
</header>
- <div class="row">
+<div class="row">
<div class="col-md-9 contents">
<div class="page-header">
<h1>Printing method for pai objects (pesticidal active ingredients)</h1>
+ <small class="dont-index">Source: <a href='https://github.com/jranke/chents/blob/master/R/chent.R'><code>R/chent.R</code></a></small>
+ <div class="hidden name"><code>print.pai.Rd</code></div>
</div>
+ <div class="ref-description">
<p>Printing method for pai objects (pesticidal active ingredients)</p>
+ </div>
<pre class="usage"><span class='co'># S3 method for pai</span>
-<span class='fu'>print</span>(<span class='no'>x</span>, <span class='no'>...</span>)</pre>
+<span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/print'>print</a></span>(<span class='no'>x</span>, <span class='no'>...</span>)</pre>
- <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a> Arguments</h2>
+ <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>
@@ -121,11 +143,13 @@
</div>
<div class="pkgdown">
- <p>Site built with <a href="http://pkgdown.r-lib.org/">pkgdown</a>.</p>
+ <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.3.0.</p>
</div>
-
</footer>
</div>
+
+
</body>
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+

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