get.total.charge

A Java object of class <code>IAtomContainer</code>

molecule

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

programming

This package allows the user to access functionality in
        the CDK, a Java framework for cheminformatics. This allows the
        user to load molecules, evaluate fingerprints, calculate
        molecular descriptors and so on. In addition the CDK API allows
        the user to view structures in 2D.

get.total.charge: Get the Total Charge for the Molecule

Description

Usage

Arguments

Value