diff options
Diffstat (limited to 'man')
| -rw-r--r-- | man/chent.Rd | 33 | ||||
| -rw-r--r-- | man/pai.Rd | 27 |
2 files changed, 60 insertions, 0 deletions
diff --git a/man/chent.Rd b/man/chent.Rd new file mode 100644 index 0000000..ed304f5 --- /dev/null +++ b/man/chent.Rd @@ -0,0 +1,33 @@ +% Generated by roxygen2 (4.1.1): do not edit by hand +% Please edit documentation in R/chent.R +\docType{class} +\name{chent} +\alias{chent} +\title{An R6 class for chemical entities with associated data} +\format{An \code{\link{R6Class}} generator object} +\usage{ +chent +} +\description{ +The class is initialised with an identifier. Chemical information is retrieved +from the internet. +} +\section{Fields}{ + +\describe{ +\item{\code{identifier}}{The identifier that was used to initiate the object, with attribute 'source'} + +\item{\code{inchikey}}{InChI Key, with attribute 'source'} + +\item{\code{smiles}}{SMILES code, with attribute 'source'} + +\item{\code{mw}}{Molecular weight, with attribute 'source'} + +\item{\code{pubchem}}{List of information retreived from PubChem} +}} +\examples{ +oct <- chent$new("1-octanol") +print(oct) +} +\keyword{data} + diff --git a/man/pai.Rd b/man/pai.Rd new file mode 100644 index 0000000..c366991 --- /dev/null +++ b/man/pai.Rd @@ -0,0 +1,27 @@ +% Generated by roxygen2 (4.1.1): do not edit by hand +% Please edit documentation in R/chent.R +\docType{class} +\name{pai} +\alias{pai} +\title{An R6 class for pesticidal active ingredients and associated data} +\format{An \code{\link{R6Class}} generator object} +\usage{ +pai +} +\description{ +The class is initialised with an identifier which is generally an ISO common name. +Additional chemical information is retrieved from the internet. +} +\section{Fields}{ + +\describe{ +\item{\code{iso}}{ISO common name according to ISO 1750 as retreived from www.alanwood.net/pesticides} + +\item{\code{alanwood}}{List of information retreived from www.alanwood.net/pesticides} +}} +\examples{ +atr <- pai$new("atrazine") +print(atr) +} +\keyword{data} + |