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authorJohannes Ranke <jranke@uni-bremen.de>2021-11-19 07:38:08 +0100
committerJohannes Ranke <jranke@uni-bremen.de>2021-11-19 07:38:08 +0100
commite7d3077065cd449b234a6b2338efd70a94f94fbd (patch)
tree5c7e8d64c728b582069b727d85874d6b3f497b5d /docs/reference
parentc9819ab029bb2386d25bfa9be850c9f10478188e (diff)
Better approach to skip bcpc on travis, update docs
Diffstat (limited to 'docs/reference')
-rw-r--r--docs/reference/pai.html21
1 files changed, 14 insertions, 7 deletions
diff --git a/docs/reference/pai.html b/docs/reference/pai.html
index e5ecb99..0bb3399 100644
--- a/docs/reference/pai.html
+++ b/docs/reference/pai.html
@@ -197,10 +197,20 @@ 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='va'>atr</span> <span class='op'>&lt;-</span> <span class='va'>pai</span><span class='op'>$</span><span class='fu'>new</span><span class='op'>(</span><span class='st'>"atrazine"</span><span class='op'>)</span>
+ <pre class="examples"><div class='input'><span class='co'># On Travis, we get a certificate validation error,</span>
+<span class='co'># likely because the system (xenial) is so old,</span>
+<span class='co'># therefore don't run this example on Travis</span>
+<span class='kw'>if</span> <span class='op'>(</span><span class='fu'><a href='https://rdrr.io/r/base/Sys.getenv.html'>Sys.getenv</a></span><span class='op'>(</span><span class='st'>"TRAVIS"</span><span class='op'>)</span> <span class='op'>==</span> <span class='st'>""</span><span class='op'>)</span> <span class='op'>{</span>
+
+<span class='va'>atr</span> <span class='op'>&lt;-</span> <span class='va'>pai</span><span class='op'>$</span><span class='fu'>new</span><span class='op'>(</span><span class='st'>"atrazine"</span><span class='op'>)</span>
+<span class='fu'><a href='https://rdrr.io/r/base/print.html'>print</a></span><span class='op'>(</span><span class='va'>atr</span><span class='op'>)</span>
+<span class='kw'>if</span> <span class='op'>(</span><span class='op'>!</span><span class='fu'><a href='https://rdrr.io/r/base/NULL.html'>is.null</a></span><span class='op'>(</span><span class='va'>atr</span><span class='op'>$</span><span class='va'>Picture</span><span class='op'>)</span><span class='op'>)</span> <span class='op'>{</span>
+ <span class='fu'><a href='https://rdrr.io/r/graphics/plot.default.html'>plot</a></span><span class='op'>(</span><span class='va'>atr</span><span class='op'>)</span>
+<span class='op'>}</span>
+
+<span class='op'>}</span>
</div><div class='output co'>#&gt; <span class='message'>BCPC:</span></div><div class='output co'>#&gt; <span class='message'>PubChem:</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'><a href='https://rdrr.io/r/base/print.html'>print</a></span><span class='op'>(</span><span class='va'>atr</span><span class='op'>)</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='img'><img src='pai-1.png' alt='' width='700' height='433' /></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
@@ -210,10 +220,7 @@ Additional chemical information is retrieved from the internet if available.</p>
#&gt; Molecular weight $mw: 215.7
#&gt; PubChem synonyms (up to 10):
#&gt; [1] "atrazine" "1912-24-9" "Gesaprim" "Oleogesaprim" "Chromozin"
-#&gt; [6] "Aktikon" "Atrazin" "Argezin" "Atazinax" "Atranex" </div><div class='input'><span class='kw'>if</span> <span class='op'>(</span><span class='op'>!</span><span class='fu'><a href='https://rdrr.io/r/base/NULL.html'>is.null</a></span><span class='op'>(</span><span class='va'>atr</span><span class='op'>$</span><span class='va'>Picture</span><span class='op'>)</span><span class='op'>)</span> <span class='op'>{</span>
- <span class='fu'><a href='https://rdrr.io/r/graphics/plot.default.html'>plot</a></span><span class='op'>(</span><span class='va'>atr</span><span class='op'>)</span>
-<span class='op'>}</span>
-</div><div class='img'><img src='pai-1.png' alt='' width='700' height='433' /></div></pre>
+#&gt; [6] "Aktikon" "Atrazin" "Argezin" "Atazinax" "Atranex" </div></pre>
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