get.point2d: get.point2d

View source: R/atoms.R

get.point2dR Documentation

get.point2d

Description

Get the 2D coordinates of the atom.

Usage

get.point2d(atom)

Arguments

atom

The atom to query

Details

In case, coordinates are unavailable (e.g., molecule was read in from a SMILES file) or have not been generated yet, ‘NA'’s are returned for the X & Y coordinates.

Value

A 2-element numeric vector representing the X & Y coordinates.

Author(s)

Rajarshi Guha (rajarshi.guha@gmail.com)

See Also

get.point3d

Examples

## Not run: 
atoms <- get.atoms(mol)
coords <- do.call('rbind', lapply(apply, get.point2d))

## End(Not run)

rcdk documentation built on Sept. 26, 2022, 5:09 p.m.