Class ConvertToIonicFormFixer

    • Constructor Detail

      • ConvertToIonicFormFixer

        public ConvertToIonicFormFixer()
    • Method Detail

      • fix

        public boolean fix​(StructureCheckerResult result)
        Checker results contain atoms from the alkali metal and alkaline earth metal groups and their ionic counterparts of N, O, S atoms. The fix removes the bonds between them and adds charges to the atoms involved.
        Parameters:
        result - results from checker
        Returns:
        true if the fix was successful; the molecule in result is changed