get.property {rcdk} | R Documentation |
This function retrieves the value of a keyed property that has previously been set on the molecule
get.property(molecule, key)
molecule |
A Java object of class IAtomContainer |
key |
A string naming the property |
The value of the property is the key is found else NA
Rajarshi Guha (rguha@indiana.edu)
get.properties
,
set.property
,
remove.property
smiles <- 'c1ccccc1' mol <- parse.smiles(smiles) set.property(mol, 'prop1', 23.45) set.property(mol, 'prop2', 'inactive') get.property(mol, 'prop1')