Commit Graph

3 Commits

Author SHA1 Message Date
Nathan Baker
4fa015a54e Fix typo in PROPKA test.
Fail() -> fail().
2020-05-10 18:18:36 -07:00
Matvey Adzhigirey
73c7a2a4be optimize a number of functions
- 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.
2014-02-27 18:15:18 -05:00
Mike Beachy
61bb875248 add test framework
- 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
2014-02-22 17:51:04 -05:00