OETriposBondTypeNames

void OETriposBondTypeNames(OEMolBase &mol)

Sets the string bond type property of every bond in a molecule to its Tripos Sybyl bond type. Single, double and triple bonds are assigned the types 1, 2 and 3 respectively with the exception of aromatic and amide bonds with are assigned the values ar and am respectively.

This function prefers that aromaticity has previously been assigned using the Tripos model of aromaticity, see the OEAssignAromaticFlags function. However, reasonable atom types are returned when using other models of aromaticity.