From aa80ce4f46f9ff1a2851ba9ba873a55a8f6ebc6d Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Tue, 19 Feb 2019 17:17:48 +0100 Subject: Change package URL to github to get source code links --- docs/reference/pai.html | 58 ++++++++++++++++++++++++++++++++++--------------- 1 file changed, 41 insertions(+), 17 deletions(-) (limited to 'docs/reference/pai.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 @@ - + @@ -9,31 +9,38 @@ An R6 class for pesticidal active ingredients and associated data — pai • chents - + - - + + - + - + + + + - - - + + + + + + - + + @@ -79,16 +97,20 @@ Additional chemical information is retrieved from the internet if available." /> -
+

An R6 class for pesticidal active ingredients and associated data

+ Source: R/chent.R +
+

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

+ 
pai
@@ -107,7 +129,7 @@ Additional chemical information is retrieved from the internet if available.

Examples

atr <- pai$new("atrazine")
#> alanwood.net:
#> Querying atrazine.html
#> PubChem:
#> https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/cids/JSON
#> 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
#> https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/synonyms/JSON
#> Trying to get chemical information from RDKit using PubChem_Canonical SMILES
-#> CCNC1=NC(=NC(=N1)Cl)NC(C)C
#> Did not find chyaml file ./atrazine.yaml
print(atr)
#> <pai> with ISO common name $iso atrazine 
+#> CCNC1=NC(=NC(=N1)Cl)NC(C)C
#> Did not find chyaml file ./atrazine.yaml
print(atr)
#> <pai> with ISO common name $iso atrazine 
 #> <chent>
 #> Identifier $identifier atrazine 
 #> InChI Key $inchikey MXWJVTOOROXGIU-UHFFFAOYSA-N 
@@ -139,11 +161,13 @@ Additional chemical information is retrieved from the internet if available.

 

 
 

-  
Site built with pkgdown.

+  
Site built with pkgdown 1.3.0.

 

-
+ + + -- cgit v1.2.1