private void cleanFlagReactiveCenter ( IAtomContainer ac ) { for ( int j = 0 ; j < ac . getAtomCount ( ) ; j ++ ) ac . getAtom ( j ) . setFlag ( CDKConstants . REACTIVE_CENTER , false ) ; for ( int j = 0 ; j < ac . getBondCount ( ) ; j ++ ) ac . getBond ( j ) . setFlag ( CDKConstants . REACTIVE_CENTER , false ) ; }
clean the flags CDKConstants . REACTIVE_CENTER from the molecule .