is.neutral {rcdk}R Documentation

Tests whether the molecule is neutral.

Description

The test checks whether all atoms in the molecule have a formal charge of 0.

Usage

is.neutral(mol)

Arguments

mol

The molecule to query. Should be a 'jobjRef' representing an 'IAtomContainer'

Value

'TRUE' if molecule is neutral, 'FALSE' otherwise

Author(s)

Rajarshi Guha (rajarshi.guha@gmail.com)


[Package rcdk version 3.8.1 Index]