get.total.charge {rcdk}R Documentation

Get the Total Charge for the Molecule

Description

The function will return the summed charges of all atoms in the specified AtomContainer

Usage

get.total.charge(molecule)

Arguments

molecule A Java object of class IAtomContainer

Value

An double value indicating the total charge

Author(s)

Rajarshi Guha (rguha@indiana.edu)


[Package rcdk version 2.9.2 Index]