File: eval.atomic.desc.Rd

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% Generated by roxygen2: do not edit by hand
% Please edit documentation in R/desc.R
\name{eval.atomic.desc}
\alias{eval.atomic.desc}
\title{Compute descriptors for each atom in a molecule}
\usage{
eval.atomic.desc(molecule, which.desc, verbose = FALSE)
}
\arguments{
\item{molecule}{A molecule object}

\item{which.desc}{A character vector of atomic descriptor class names}

\item{verbose}{Optional. Default \code{FALSE}. Toggle verbosity.}
}
\value{
A `data.frame` with atoms in the rows and descriptors in the columns
}
\description{
Compute descriptors for each atom in a molecule
}
\seealso{
\link{get.atomic.desc.names}
}
\author{
Rajarshi Guha (\email{rajarshi.guha@gmail.com})
}