get.charge: Get the charge on the atom. This method returns the partial...

Description Usage Arguments Value Author(s) See Also

View source: R/atoms.R

Description

Get the charge on the atom.

This method returns the partial charge on the atom. If charges have not been set the return value is NULL, otherwise the appropriate charge.

Usage

1
get.charge(atom)

Arguments

atom

The atom to query

Value

An numeric representing the partial charge. If charges have not been set, 'NULL' is returned

Author(s)

Rajarshi Guha (rajarshi.guha@gmail.com)

See Also

get.formal.charge


rcdk documentation built on March 13, 2020, 1:30 a.m.