The PROPKA31 tests fail on Windows 10 Ubuntu 18.04 Windows Subsystem
Linux without any changes. The relative error is less than 1e-3. This
commit chnages the behavior to a test of absolute agreement to a test of
relative error less than 1e-3.
- Major optimization of the put_atom_in_box() function.
- Major optimization of the protein_precheck() function.
- Minor optimization in radial_volume_desolvation()
- Optimization in top_up() to scale for large structures.
- add the ability to run tests from the top level directory via
'python setup.py test'
- translate runtest.py into a test that runs under this framework
- add a __main__ section to Tests/runtest.py and change its indent to 4
spaces; make no other changes to this script
