4.3.1 Storing SD Data on a Molecule

bool OESetSDData(OEMolBase &mol, const std::string tag,
                                 const std::string value)
bool OESetSDData(OEMolBase &mol, const OESDDataPair &dp)

Sets data with tag to value. 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.

bool OEAddSDData(OEMolBase &mol, const std::string tag,
                                 const std::string value)
bool OEAddSDData(OEMolBase &mol, const OESDDataPair &dp)

Adds data with tag to value. 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.

				OEChem - C++ Theory Manual Version 1.3.1

				OEChem - C++ Theory Manual Version 1.3.1