13.2 Aromaticity Models in OEChem

Additionally, the OEAssignAromaticFlags function allows for a specific aromaticity model. For example, the OpenEye aromaticity model can be specified using the following (which assumes that mol is an OEMolBase object).

OEAssignAromaticFlags{mol, OEAroModelOpenEye};

The OpenEye aromaticity model is the default, so this particular function call would not be required for production code. The aromaticity models that may be specified are listed below.

 

The OEAssignAromaticFlags function has additional options that may be adjusted from their default values. See the API manual for details.