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5.3.2 Retrieving SD Data from a Molecule 

OEHasSDData(mol, tag)
Returns 1 if molecule has an item with tag, 0 otherwise. 

OEGetSDData(mol, tag)
Returns the value for the given tag. If the molecule does not have that tag, an empty string is returned. 

OEGetSDDataPairs(mol)
Returns OESDDataPairs, can be used in a loop as shown in the following example.

Previous Page Up One Level Next Page OEChem - Python Theory Manual
Version 1.3.1
Contents Index
Previous: 5.3.1 Storing SD Data Up: 5.3 Manipulating SD File Next: 5.3.3 Copying SD Data
Documentation released on July 30, 2004.