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Diffstat (limited to 'pkg/man/pfm_chent.Rd')
-rw-r--r-- | pkg/man/pfm_chent.Rd | 34 |
1 files changed, 34 insertions, 0 deletions
diff --git a/pkg/man/pfm_chent.Rd b/pkg/man/pfm_chent.Rd new file mode 100644 index 0000000..c62e8cf --- /dev/null +++ b/pkg/man/pfm_chent.Rd @@ -0,0 +1,34 @@ +% Generated by roxygen2 (4.1.0.9001): do not edit by hand +% Please edit documentation in R/pfm_chent.R +\docType{class} +\name{pfm_chent} +\alias{pfm_chent} +\title{R6 class for holding a chemical entity} +\format{An \code{\link{R6Class}} generator object.} +\usage{ +pfm_chent +} +\description{ +An R6 class for holding information about a chemical entity +} +\section{Fields}{ + +\describe{ +\item{\code{acronym}}{Acronym for local use} + +\item{\code{smiles}}{SMILES code} + +\item{\code{mw}}{Molecular weight} + +\item{\code{main_source}}{Main source of information} + +\item{\code{transformations}}{} + +\item{\code{sorption_endpoints}}{} +}} +\examples{ +atrazine <- pfm_chent("atrazine", smiles = "Clc1nc(nc(n1)NC(C)C)NCC", mw = 215.68) +print(atrazine) +} +\keyword{data} + |