get.properties {rcdk} | R Documentation |
Returns a list of all the properties of a molecule. The names of the list are set to the property names
get.properties(molecule)
molecule |
A Java object of class IAtomContainer or IMolecule |
A list of the property values, with names equal to the property names. NULL property values are returned as NA
Rajarshi Guha (rguha@indiana.edu)
get.property
,
set.property
,
remove.property
smiles <- 'c1ccccc1' mol <- parse.smiles(smiles) set.property(mol, 'prop1', 23.45) set.property(mol, 'prop2', 'inactive') get.properties(mol)