rcdk (version 3.4.7.1)

get.properties: Get All Property Values of a Molecule

Description

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

A Java object of class IAtomContainer or IMolecule

Value

A list of the property values, with names equal to the property names. NULL property values are returned as NA

See Also

get.property, set.property, remove.property

Examples

# NOT RUN {
smiles <- 'c1ccccc1'
mol <- parse.smiles(smiles)[[1]]
set.property(mol, 'prop1', 23.45)
set.property(mol, 'prop2', 'inactive')
get.properties(mol)
# }