OEChem - C++ Theory Manual Version 1.3.1

Previous: 4.2.4 GetAtoms, GetBonds Up: 4. Properties of Molecules Next: 4.3.1 Storing SD Data

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4.3 Manipulating SD File Tagged Data

Meta information about a molecule is stored in what is known as ``tagged data''. The most common example of this is the data fields found in SD files. Since SD files are a common form of data storage and transfer from one system to another, OEChem provides several methods to manipulate this data. A simple class, OESDDataPair is used to set or retrieve these pairs, OESDDataPair objects provide SetTag/GetTag and SetValue/GetValue methods for access to the each half of the pair.

The following functions provide access to the SD data.

• 4.3.1 Storing SD Data on a Molecule
• 4.3.2 Retrieving SD Data from a Molecule
• 4.3.3 Deleting SD Data from a Molecule
• 4.3.4 SD Data Example

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				OEChem - C++ Theory Manual Version 1.3.1

Previous: 4.2.4 GetAtoms, GetBonds Up: 4. Properties of Molecules Next: 4.3.1 Storing SD Data

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Documentation released on July 30, 2004.