Python set_solv_count_top Examples

Example #1

File: test_sim_setup.py Project: KMNitesh/ParaTemp

 def test_set_solv_count_fail(self, empty_file, n_top_dc):
     from paratemp.sim_setup import set_solv_count_top
     # These are coming from get_solv_count_top actually, but still the
     # same error
     with pytest.raises(RuntimeError, match='Did not find a line with the '
                                            'solvent count in '):
         set_solv_count_top(empty_file)
     with pytest.raises(RuntimeError):
         set_solv_count_top(n_top_dc, res_name='Not here')

Example #2

File: test_sim_setup.py Project: thompcinnamon/ParaTemp

 def test_set_solv_count_fail(self, empty_file, n_top_dc):
     from paratemp.sim_setup import set_solv_count_top
     # These are coming from get_solv_count_top actually, but still the
     # same error
     with pytest.raises(RuntimeError, match='Did not find a line with the '
                                            'solvent count in '):
         set_solv_count_top(empty_file)
     with pytest.raises(RuntimeError):
         set_solv_count_top(n_top_dc, res_name='Not here')

Example #3

File: test_sim_setup.py Project: KMNitesh/ParaTemp

 def test_set_solv_count_top_no_change(self, folder_dc, n_top_dc, capsys):
     from paratemp.sim_setup import set_solv_count_top, \
         get_solv_count_top
     set_solv_count_top(folder=folder_dc, s_count=361)
     captured = capsys.readouterr()
     assert captured.out == ('Solvent count in '
                             '{} already set at 361'.format(
                                 os.path.relpath(n_top_dc)) +
                             '\nNot copying or changing file.\n')
     assert get_solv_count_top(n_top_dc) == 361

Example #4

File: test_sim_setup.py Project: thompcinnamon/ParaTemp

 def test_set_solv_count_top_no_change(self, folder_dc, n_top_dc, capsys):
     from paratemp.sim_setup import set_solv_count_top, \
         get_solv_count_top
     set_solv_count_top(folder=folder_dc, s_count=361)
     captured = capsys.readouterr()
     assert captured.out == ('Solvent count in '
                             '{} already set at 361'.format(
                                 os.path.relpath(n_top_dc)) +
                             '\nNot copying or changing file.\n')
     assert get_solv_count_top(n_top_dc) == 361

Example #5

File: test_sim_setup.py Project: KMNitesh/ParaTemp

 def test_set_solv_count_top_folder(self, folder_dc, n_top_dc):
     from paratemp.sim_setup import set_solv_count_top, get_solv_count_top
     set_solv_count_top(folder=folder_dc, s_count=50)
     assert get_solv_count_top(n_top_dc) == 50

Example #6

File: test_sim_setup.py Project: KMNitesh/ParaTemp

 def test_set_solv_count_top_n(self, n_top_dc):
     from paratemp.sim_setup import set_solv_count_top, get_solv_count_top
     set_solv_count_top(n_top_dc, s_count=100)
     assert get_solv_count_top(n_top_dc) == 100

Example #7

File: test_sim_setup.py Project: thompcinnamon/ParaTemp

 def test_set_solv_count_top_folder(self, folder_dc, n_top_dc):
     from paratemp.sim_setup import set_solv_count_top, get_solv_count_top
     set_solv_count_top(folder=folder_dc, s_count=50)
     assert get_solv_count_top(n_top_dc) == 50

Example #8

File: test_sim_setup.py Project: thompcinnamon/ParaTemp

 def test_set_solv_count_top_n(self, n_top_dc):
     from paratemp.sim_setup import set_solv_count_top, get_solv_count_top
     set_solv_count_top(n_top_dc, s_count=100)
     assert get_solv_count_top(n_top_dc) == 100