path: root/pkg/man/pfm_chent.Rd

% 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}