Skip to content

Commit 06db15a

Browse files
committed
Cleanup after switching init conds behavior
1 parent d1c7539 commit 06db15a

File tree

3 files changed

+8
-6
lines changed

3 files changed

+8
-6
lines changed

paths_cli/tests/commands/test_equilibrate.py

Lines changed: 5 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -11,7 +11,7 @@
1111
def print_test(output_storage, scheme, init_conds, multiplier, extra_steps):
1212
print(isinstance(output_storage, paths.Storage))
1313
print(scheme.__uuid__)
14-
print(init_conds.__uuid__)
14+
print([o.__uuid__ for o in init_conds])
1515
print(multiplier, extra_steps)
1616

1717

@@ -31,8 +31,10 @@ def test_equilibrate(tps_fixture):
3131
["setup.nc", "-o", "foo.nc"]
3232
)
3333
out_str = "True\n{schemeid}\n{condsid}\n1 0\n"
34-
expected_output = out_str.format(schemeid=scheme.__uuid__,
35-
condsid=init_conds.__uuid__)
34+
expected_output = out_str.format(
35+
schemeid=scheme.__uuid__,
36+
condsid=[o.trajectory.__uuid__ for o in init_conds],
37+
)
3638
assert results.exit_code == 0
3739
assert results.output == expected_output
3840

paths_cli/tests/commands/test_pathsampling.py

Lines changed: 3 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -11,7 +11,7 @@
1111
def print_test(output_storage, scheme, init_conds, n_steps):
1212
print(isinstance(output_storage, paths.Storage))
1313
print(scheme.__uuid__)
14-
print(init_conds.__uuid__)
14+
print([traj.__uuid__ for traj in init_conds])
1515
print(n_steps)
1616

1717
@patch('paths_cli.commands.pathsampling.pathsampling_main', print_test)
@@ -26,7 +26,8 @@ def test_pathsampling(tps_fixture):
2626

2727
results = runner.invoke(pathsampling, ['setup.nc', '-o', 'foo.nc',
2828
'-n', '1000'])
29-
expected_output = (f"True\n{scheme.__uuid__}\n{init_conds.__uuid__}"
29+
initcondsid = [samp.trajectory.__uuid__ for samp in init_conds]
30+
expected_output = (f"True\n{scheme.__uuid__}\n{initcondsid}"
3031
"\n1000\n")
3132

3233
assert results.output == expected_output

paths_cli/tests/test_parameters.py

Lines changed: 0 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -277,7 +277,6 @@ def test_get_none(self, num_in_file):
277277

278278
st = paths.Storage(filename, mode='r')
279279
obj = INIT_CONDS.get(st, None)
280-
# TODO: fix this for all being trajectories
281280
expected = [
282281
[self.traj],
283282
[s.trajectory for s in self.sample_set],

0 commit comments

Comments
 (0)