OESetSDDataΒΆ
bool OESetSDData(OEMolBase &mol, const OESDDataPair &dp)
bool OESetSDData(OEMolBase &mol, const std::string &tag,
const std::string &value)
Sets an SD tag and value data pair to a molecule. Both the tag and the value must be a string. If an item with the same tag already exists, it is replaced with the new value.
See also
- OEAddSDData function to add multiple SD data with the same tag
- OEGetSDData function
- OEGetSDDataPairs function to access multiple items with the same tag
- SD Tagged Data Manipulation section
Code Example
- Adding csv data as SD tags example
Note
Unicode characters are not supported neither in the data tag nor in the data value.