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authorJohannes Ranke <jranke@uni-bremen.de>2019-02-19 20:17:59 +0100
committerJohannes Ranke <jranke@uni-bremen.de>2019-02-19 20:17:59 +0100
commitb883e6075bd76f979fbffdb768313665681315a0 (patch)
treecc3f14824db202513bf632f817e8439ae72ae5d8 /docs/reference/chent.html
parent95a067f0ed8fb580cc3652acd4c7885eb000244a (diff)
Only plot when a Picture object is there
grConvert is not needed for plotting
Diffstat (limited to 'docs/reference/chent.html')
-rw-r--r--docs/reference/chent.html6
1 files changed, 3 insertions, 3 deletions
diff --git a/docs/reference/chent.html b/docs/reference/chent.html
index 1608eb0..e2853cc 100644
--- a/docs/reference/chent.html
+++ b/docs/reference/chent.html
@@ -159,9 +159,9 @@ configured for use with PythonInR</p></dd>
#&gt; PubChem synonyms (up to 10):
#&gt; [1] "957" "1-octanol" "Octan-1-ol" "octanol"
#&gt; [5] "111-87-5" "N-octanol" "Capryl alcohol" "Octyl alcohol"
-#&gt; [9] "caprylic alcohol" "n-Octyl alcohol" </div><div class='input'><span class='kw'>if</span> (<span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/ns-load'>requireNamespace</a></span>(<span class='st'>"grConvert"</span>)) {
+#&gt; [9] "caprylic alcohol" "n-Octyl alcohol" </div><div class='input'><span class='kw'>if</span> (!<span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/NULL'>is.null</a></span>(<span class='no'>caffeine</span>$<span class='no'>Picture</span>)) {
<span class='fu'><a href='https://www.rdocumentation.org/packages/graphics/topics/plot'>plot</a></span>(<span class='no'>oct</span>)
-}</div><div class='input'><span class='no'>caffeine</span> <span class='kw'>&lt;-</span> <span class='no'>chent</span>$<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>
+}</div><div class='output co'>#&gt; <span class='error'>Error in eval(expr, envir, enclos): Objekt 'caffeine' nicht gefunden</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 $inchikey RYYVLZVUVIJVGH-UHFFFAOYSA-N
@@ -174,7 +174,7 @@ configured for use with PythonInR</p></dd>
#&gt; [3] "58-08-2" "Guaranine"
#&gt; [5] "1,3,7-Trimethylxanthine" "Thein"
#&gt; [7] "Cafeina" "Methyltheobromine"
-#&gt; [9] "Koffein" "Mateina" </div><div class='input'><span class='kw'>if</span> (<span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/ns-load'>requireNamespace</a></span>(<span class='st'>"grConvert"</span>)) {
+#&gt; [9] "Koffein" "Mateina" </div><div class='input'><span class='kw'>if</span> (!<span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/NULL'>is.null</a></span>(<span class='no'>caffeine</span>$<span class='no'>Picture</span>)) {
<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>

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