OEMolRecord is a specialized OERecord with some extra methods for handling molecules. The presence of convenience methods for handling molecules is the only difference between an OEMolRecord and an OERecord. The underlying representation is identical, and either class can be copy-constructed from the other with no loss of information.

The following example shows how an OEMolRecord can be used, and illustrates that OEMolRecords are just OERecords with some additional methods.

Conformer data on records

OEMolRecord also has methods for managing data for conformers. Each conformer of a molecule can get its own record to store conformer-specific data onto.