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')
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')
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
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
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
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
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
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
