get.properties {rcdk} | R Documentation |
Get all properties associated with a molecule.
Description
In this context a property is a value associated with a key and stored with the molecule. This method 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 |
The molecule to query. Should be a 'jobjRef' representing an 'IAtomContainer' |
Value
A named 'list' with the property values. Element names are the keys for each property. If no properties have been defined, an empty list.
Author(s)
Rajarshi Guha (rajarshi.guha@gmail.com)
See Also
set.property
, get.property
, remove.property
Examples
mol <- parse.smiles("CC1CC(C=O)CCC1")[[1]]
set.property(mol, 'prop1', 23.45)
set.property(mol, 'prop2', 'inactive')
get.properties(mol)
[Package rcdk version 3.8.1 Index]