public double calculateBondPolarizability ( IAtomContainer atomContainer , IBond bond ) { double polarizabilitiy = 0 ; IAtomContainer acH = atomContainer . getBuilder ( ) . newInstance ( IAtomContainer . class , atomContainer ) ; addExplicitHydrogens ( acH ) ; if ( bond . getAtomCount ( ) == 2 ) { polarizabilitiy += getKJPolarizabilityFactor ( acH , bond . getBegin ( ) ) ; polarizabilitiy += getKJPolarizabilityFactor ( acH , bond . getEnd ( ) ) ; } return ( polarizabilitiy / 2 ) ; }
calculate bond polarizability .