rcdk (version 2.9.21)

get.property: Get the Value of a Molecule Property

Description

This function retrieves the value of a keyed property that has previously been set on the molecule

Usage

get.property(molecule, key)

Arguments

molecule

A Java object of class IAtomContainer

key

A string naming the property

Value

• The value of the property is the key is found else NA

See Also

get.properties, set.property, remove.property

Examples

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