private void setvdWaals ( ) throws Exception { List data = new Vector ( ) ; st . nextToken ( ) ; String sid = st . nextToken ( ) ; String sradius = st . nextToken ( ) ; String sepsi = st . nextToken ( ) ; try { double epsi = new Double ( sepsi ) . doubleValue ( ) ; double radius = new Double ( sradius ) . doubleValue ( ) ; data . add ( new Double ( radius ) ) ; data . add ( new Double ( epsi ) ) ; } catch ( NumberFormatException nfe ) { throw new IOException ( "VdWaalsTable.ReadvdWaals: " + "Malformed Number" ) ; } key = "vdw" + sid ; //if (parameterSet.containsKey(key)){System.out.println("KeyError: hasKey "+key);} parameterSet . put ( key , data ) ; }
Read vdw radius stored into the parameter set