get.properties {rcdk}R Documentation

Get All Property Values of a Molecule

Description

Returns a list of all the properties of a molecule. The names of the list are set to the property names

Usage

get.properties(molecule)

Arguments

molecule A Java object of class IAtomContainer or IMolecule

Value

A list of the property values, with names equal to the property names. NULL property values are returned as NA

Author(s)

Rajarshi Guha (rguha@indiana.edu)

See Also

get.property, set.property, remove.property

Examples

smiles <- 'c1ccccc1'
mol <- parse.smiles(smiles)
set.property(mol, 'prop1', 23.45)
set.property(mol, 'prop2', 'inactive')
get.properties(mol)

[Package rcdk version 2.9.2 Index]