From f908377f1de2e04ca3720d10084169c46a477ce2 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Mon, 28 Sep 2015 21:34:23 +0200 Subject: Several changes heading for a release to the public - Add tests - Add staticdocs - Documentation improvements - Several small code improvements --- inst/web/pai.html | 123 ++++++++++++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 123 insertions(+) create mode 100644 inst/web/pai.html (limited to 'inst/web/pai.html') diff --git a/inst/web/pai.html b/inst/web/pai.html new file mode 100644 index 0000000..bd19dc7 --- /dev/null +++ b/inst/web/pai.html @@ -0,0 +1,123 @@ + + + + +pai. chents 0.2-1 + + + + + + + + + + + + + + + +
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+ chents 0.2-1 +
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An R6 class for pesticidal active ingredients and associated data

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Usage

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pai
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Format

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An R6Class generator object

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Description

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The class is initialised with an identifier which is generally an ISO common name. +Additional chemical information is retrieved from the internet.

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Fields

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iso
ISO common name according to ISO 1750 as retreived from www.alanwood.net/pesticides

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alanwood
List of information retreived from www.alanwood.net/pesticides

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Examples

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atr <- pai$new("atrazine")
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+Querying atrazine.html
+http://eutils.ncbi.nlm.nih.gov/entrez/eutils/esearch.fcgi?retmax=100000&db=pccompound&term=atrazine
+http://eutils.ncbi.nlm.nih.gov/entrez/eutils/esummary.fcgi?retmax=100000&db=pccompound&ID=2256
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print(atr)
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+
<pai> with ISO common name $iso atrazine 
+<chent>
+Identifier $identifier atrazine 
+InChI Key $inchikey MXWJVTOOROXGIU-UHFFFAOYSA-N 
+SMILES string $smiles CCNC1=NC(=NC(=N1)Cl)NC(C)C 
+Molecular weight $mw: 215.7 
+PubChem synonyms (first 10):
+ [1] "atrazine"     "1912-24-9"    "Atazinax"     "Atrasine"     "Chromozin"    "Fenatrol"     "Gesaprim"     "Gesoprim"    
+ [9] "Hungazin"     "Oleogesaprim"
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+ + \ No newline at end of file -- cgit v1.2.1