get.property {rcdk} | R Documentation |
Get a property value of the molecule.
Description
This function retrieves the value of a keyed property that has previously been set on the molecule. Properties enable us to associate arbitrary pieces of data with a molecule. Such data can be text, numeric or a Java object (represented as a 'jobjRef').
Usage
get.property(molecule, key)
Arguments
molecule |
The molecule to query. Should be a 'jobjRef' representing an 'IAtomContainer' |
key |
The property key as a character string |
Value
The value of the property. If there is no property with the specified key, 'NA' is returned
Author(s)
Rajarshi Guha (rajarshi.guha@gmail.com)
See Also
Examples
mol <- parse.smiles("CC1CC(C=O)CCC1")[[1]]
set.property(mol, 'prop1', 23.45)
set.property(mol, 'prop2', 'inactive')
get.property(mol, 'prop1')
[Package rcdk version 3.8.1 Index]