OEMDLPerceiveBondStereo

bool OEMDLPerceiveBondStereo(OEMolBase &mol)

Assigns wedge and hash bonds to a connection table from the OEChem TK stereochemistry of each atom. This function requires that the molecule have 2D coordinates. See example in Figure: Example of using OEMDLPerceiveBondStereo

Example of using OEMDLPerceiveBondStereo: before (A) and after (B) calling the OEMDLPerceiveBondStereo function

Note

This function is the opposite of the OEMDLStereoFromBondStereo function.

See also

• OEBondStereo namespace

Note

The OEMDLPerceiveBondStereo function preserves wavy bonds (OEBondStereo::Wavy). These can only be removed by calling the OEMDLClearBondStereo function.