@ Override public DescriptorValue calculate ( IAtom atom , IAtomContainer container ) { int atomDegree = 0 ; List < IAtom > neighboors = container . getConnectedAtomsList ( atom ) ; for ( IAtom neighboor : neighboors ) { if ( ! neighboor . getSymbol ( ) . equals ( "H" ) ) atomDegree += 1 ; } return new DescriptorValue ( getSpecification ( ) , getParameterNames ( ) , getParameters ( ) , new IntegerResult ( atomDegree ) , getDescriptorNames ( ) ) ; }
This method calculates the number of not - H substituents of an atom .