extern "C" OEAroModel OEAroModelDaylight extern "C" OEAroModel OEAroModelOpenEye extern "C" OEAroModel OEAroModelTripos extern "C" OEAroModel OEAroModelMMFF extern "C" OEAroModel OEAroModelMDL
OEChem contains five pre-defined models of aromaticity, which represent
the OpenEye, Daylight, Tripos, MDL and MMFF definitions. Each aromaticity
model is actually an array indexed by aromatic atom type indicating
whether that atom type is not aromatic (i.e. has the value
OENotAromatic
),
or specifies the number of pi-electrons it donates to an aromatic ring
system, zero, one or two. The indices into this array are specified by
OEAroType
namespace. These constants are typically provided as
the model parameter to OEChem's OEAssignAromaticFlags
function.