3.12.14 SetValenceCorrection

bool SetValenceCorrection(bool)

The SetValenceCorrection method controls the valence correction mode setting of an OELibraryGen instance. OELibraryGen instances are constructed by default with the valence correction mode set to false. Valence correction mode can be turned on by passing a boolean true value to an OELibraryGen instance using this method. When valence correction mode is enabled, the OELibraryGen instance will attempt to adjust the hydrogen count on atoms in the product molecule that are involved in the reaction to match the original valence state of the reactant. For product atoms that do not undergo a nuclear reaction (atomic number is retained) the hydrogen count is either increased or decreased to match the initial valence state of the corresponding reactant atom. Formal charge is taken into account during the hydrogen count adjustment.