static boolean [ ] terminalHydrogens ( final IAtomContainer ac , final int [ ] [ ] g ) { final boolean [ ] hydrogens = new boolean [ ac . getAtomCount ( ) ] ; // we specifically don't check for null atomic number, this must be set. // if not, something major is wrong for ( int i = 0 ; i < ac . getAtomCount ( ) ; i ++ ) { IAtom atom = ac . getAtom ( i ) ; hydrogens [ i ] = atom . getAtomicNumber ( ) == 1 && atom . getMassNumber ( ) == null && g [ i ] . length == 1 ; } return hydrogens ; }
Locate explicit hydrogens that are attached to exactly one other atom .