5.3.1 Storing SD Data on a Molecule

OESetSDData(mol, tag, value)
OESetSDData(mol, dp)

Sets data with tag to value. Both tag and value must be strings. If an item with the same tag already exists, it is replaced. The second form is the same as the first but uses an OESDDataPair instance.

OEAddSDData(mol, tag, value)
OEAddSDData(mol, dp)

Adds data with tag to value. Both tag and value must be strings. If an item with the same tag already exists, another one is added. The second form is the same as the first but uses an OESDDataPair instance.

				OEChem - Python Theory Manual Version 1.3.1

				OEChem - Python Theory Manual Version 1.3.1