dock_mol and dock methods improved

Timing was checked for dock_mol (loads the ligand pdbqt into a molecule and saves the binding energies into the
score attr).  HackaMol generally takes an insignificant amount of time wrt to the running of Vina.  ~.1% or so.

Test coverage and documentation need improvement.  also, may need to use aliases to allow users comfortable with
vina to use that vocabulary (e.g. out vs out_fn etc.).