is.connected: Tests whether the molecule is fully connected.

Description Usage Arguments Value Author(s) See Also Examples

View source: R/rcdk.R

Description

A single molecule will be represented as a complete graph. In some cases, such as for molecules in salt form, or after certain operations such as bond splits, the molecular graph may contained disconnected components. This method can be used to tested whether the molecule is complete (i.e. fully connected).

Usage

1

Arguments

mol

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

Value

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

Author(s)

Rajarshi Guha (rajarshi.guha@gmail.com)

See Also

get.largest.component

Examples

1
2
m <- parse.smiles("CC.CCCCCC.CCCC")[[1]]
is.connected(m)

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