SMILES generation needs to throw an exception for invalid bond types. The exceptions were already thrown but were unchecked. Ideally IOException would be best but down stream invocations rely on other parts throwing CDKExceptions so this was used instead.
Indicate with a labelling is needed or only the symmetry classes.
Read double bond stereo configuration from InChI.
Deprecating resolve overlaps - it does not work and should be used. It’s usage has been removed from the SDG.
Identify atoms supporting tetrahedral and double bond stereo chemistry. Classify the atoms determining if they have constitutionally different ligands (true stereocenter) or have symmetric ligands (para stereocenters).
A factory to create stereo elements using 2D/3D coordinates.
Automatically read stereo configurations from MDL V2000 format. Can be turned of but is on by default.