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Returns a list of all the properties of a molecule. The names of the list are set to the property names
get.properties(molecule)
A Java object of class IAtomContainer or IMolecule
IAtomContainer
IMolecule
A list of the property values, with names equal to the property names. NULL property values are returned as NA
get.property, set.property, remove.property
get.property
set.property
remove.property
# NOT RUN { smiles <- 'c1ccccc1' mol <- parse.smiles(smiles)[[1]] set.property(mol, 'prop1', 23.45) set.property(mol, 'prop2', 'inactive') get.properties(mol) # }
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