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/rcdk/man/gethcount.Rd

http://github.com/rajarshi/cdkr
Unknown | 21 lines | 20 code | 1 blank | 0 comment | 0 complexity | 2af888d33068bccd27490d06e514e1a1 MD5 | raw file
 1\name{get.total.hydrogen.count}
 2\alias{get.total.hydrogen.count}
 3\title{
 4  Get the Total Hydrogen Count for a Molecule
 5}
 6\description{
 7  The function will return the summed implicit hydrogens of all atoms in
 8  the specified  AtomContainer
 9}
10\usage{
11get.total.hydrogen.count(molecule)
12}
13\arguments{
14  \item{molecule}{A Java object of class \code{IAtomContainer}}
15}
16\value{
17  An integer value indicating the number of implicit hydrogens
18}
19\keyword{programming}
20
21\author{Rajarshi Guha (\email{rajarshi.guha@gmail.com})}