Writing Tests

Writing tests for aiida-core

Tests live under tests/ and mirror the source layout in src/aiida/. Reusable fixtures live in tests/conftest.py and per-subtree conftest.py files.

Philosophy

• Prefer real objects over mocks. Use fixtures to create real nodes, processes, computers, etc. Mocks should only be used for genuinely external dependencies (network, SSH), cases where setup would be prohibitively complex, or when you need to force an exception that would not otherwise appear naturally.
• Don't chase coverage with shallow tests. A test that mocks everything tests nothing.
• Test the contract, not the implementation. Assert observable outcomes, not internal method calls.
• Make assertions as strong as possible. assert result == expected_value, not assert result is not None. Check exact values, types, and lengths.
• Regression tests for bugs. First write a test that reproduces the bug, then fix the code.
• Test edge cases and failure paths. Don't just test the happy path. Test boundary values, empty inputs, invalid arguments, and expected exceptions.
• One behavior per test. Each test must be independent, deterministic, and must not test framework behavior (Python, SQLAlchemy, Click).

Marker conventions

• @pytest.mark.presto: runs against SqliteTempBackend (in-memory, no PostgreSQL / RabbitMQ). Prefer presto-compatible tests where possible: they are much faster and runnable in any environment.
• @pytest.mark.requires_rmq: requires a running RabbitMQ instance.
• @pytest.mark.requires_psql: requires a running PostgreSQL instance.
• @pytest.mark.nightly: long-running tests, only executed in nightly CI.
• Transport tests require passwordless SSH to localhost.

Parametrization

Use pytest.mark.parametrize instead of duplicating test bodies:

import pytest

@pytest.mark.parametrize('value,expected', [
    (1, 2),
    (2, 4),
    (3, 6),
])
def test_double(value, expected):
    assert double(value) == expected

Fixtures

Check tests/conftest.py before writing ad-hoc setup. If you find yourself reinventing a fixture, it probably already exists.

Running the tests

See the running-tests skill for the full uv run pytest cheatsheet.