3.12.12 SetExplicitHydrogens

bool SetExplicitHydrogens(bool)

This variable sets the hydrogen handling mode for the OELibraryGen instance. OELibraryGen instance are constructed by default with the explicit hydrogen mode set to true. Reactions may be executed using either implicit or explicit hydrogens represented in the starting materials for a reaction. If the value is true, the OELibraryGen instance will add explicit hydrogens to reactant molecules when they are initialized using either of the SetStartingMaterial methods. If the value is false, then both of the SetStartingMaterial methods will suppress any explict hydrogens in the reactant molecules, and simply retain the implicit hydrogen counts for remaining non-hydrogen atoms. The hydrogen handling mode must be assigned prior to calling SetStartingMaterial. Calling SetExplicitHydrogens after SetStartingMaterial will have not effect.

				OEChem - API Manual Version 1.3.1

				OEChem - API Manual Version 1.3.1