def test_count_by_type_single_link(self, universe_DWA):
'''
This test tests the simplest water bridge to see if count_by_type() works.
'''
wb = WaterBridgeAnalysis(universe_DWA, 'protein and (resid 1)',
'protein and (resid 4)')
wb.run(verbose=False)
assert_equal(wb.count_by_type(),
[(1, 4, 'ALA', 1, 'H', 'ALA', 4, 'O', 1.)])
def test_nodata(self, universe_DA):
'''Test if the funtions can run when there is no data.
This is achieved by not runing the run() first.'''
wb = WaterBridgeAnalysis(universe_DA,
'protein and (resid 1)',
'protein and (resid 4)',
order=0)
wb.generate_table()
assert_equal(wb.timesteps_by_type(), None)
assert_equal(wb.count_by_time(), None)
assert_equal(wb.count_by_type(), None)
def test_count_by_type_multiple_link(self, universe_AWA_AWWA):
'''
This test tests if count_by_type() can give the correct result for more than 1 links.
'''
wb = WaterBridgeAnalysis(universe_AWA_AWWA,
'protein and (resid 1 or resid 5)',
'protein and (resid 4 or resid 8)',
order=2)
wb.run(verbose=False)
assert_equal(sorted(wb.count_by_type()),
[[0, 4, 'ALA', 1, 'O', 'ALA', 4, 'O', 1.0],
[5, 11, 'ALA', 5, 'O', 'ALA', 8, 'O', 1.0]])
