Skip to content

Add tests for extract_compute() #94

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Merged
merged 2 commits into from
Feb 21, 2023
Merged

Add tests for extract_compute() #94

Changes from all commits
Commits
Show all changes
2 commits
Select commit Hold shift + click to select a range
ae1c2ef
Add tests for extract_compute()
jan-janssen Feb 21, 2023
c631926
Update test_pylammpsmpi_local.py
jan-janssen Feb 21, 2023
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
8 changes: 8 additions & 0 deletions tests/test_pylammpsmpi_local.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -29,6 +29,14 @@ def test_extract_atom(self):
ids = self.lmp.extract_atom("id")
self.assertEqual(len(ids), 256)

def test_extract_compute_global(self):
compute_temp = self.lmp.extract_compute("1", 0, 0)
self.assertIsInstance(compute_temp, float)

def test_extract_compute_per_atom(self):
compute_ke_atom = self.lmp.extract_compute("ke", 1, 1)
self.assertEqual(len(compute_ke_atom), 256)

def test_gather_atoms(self):
f = self.lmp.gather_atoms("f")
self.assertEqual(len(f), 256)
Expand Down