Remove a property associated with a molecule.
In this context a property is a value associated with a key and stored with the molecule. This methd will remove the property defined by the key. If there is such key, a warning is raised.
remove.property(molecule, key)
molecule |
The molecule to query. Should be a 'jobjRef' representing an 'IAtomContainer' |
key |
The property key as a character string |
Rajarshi Guha (rajarshi.guha@gmail.com)
mol <- parse.smiles("CC1CC(C=O)CCC1")[[1]]
set.property(mol, 'prop1', 23.45)
set.property(mol, 'prop2', 'inactive')
get.properties(mol)
remove.property(mol, 'prop2')
get.properties(mol)Please choose more modern alternatives, such as Google Chrome or Mozilla Firefox.