Add examples (#66) #120
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| name: Tests | |
| on: | |
| push: | |
| branches: | |
| - master | |
| pull_request: | |
| workflow_dispatch: | |
| jobs: | |
| ruff: | |
| runs-on: ubuntu-22.04 | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - uses: actions/setup-python@v5 | |
| with: | |
| python-version: "3.12" | |
| cache: "pip" | |
| - run: pip install -e '.[dev]' | |
| - run: ruff check . | |
| mypy: | |
| runs-on: ubuntu-22.04 | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - uses: actions/setup-python@v5 | |
| with: | |
| python-version: "3.12" | |
| cache: "pip" | |
| - run: pip install -e '.[dev]' | |
| - run: mypy . | |
| ruff-format: | |
| runs-on: ubuntu-22.04 | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - uses: actions/setup-python@v5 | |
| with: | |
| python-version: "3.12" | |
| cache: "pip" | |
| - run: pip install -e '.[dev]' | |
| - run: ruff format --check . | |
| pytest: | |
| runs-on: ubuntu-22.04 | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - uses: actions/setup-python@v5 | |
| with: | |
| python-version: "3.12" | |
| cache: "pip" | |
| - run: pip install -e '.[dev]' | |
| - run: pytest --cov=src --cov-report term-missing | |
| doctest: | |
| runs-on: ubuntu-22.04 | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - uses: actions/setup-python@v5 | |
| with: | |
| python-version: "3.12" | |
| cache: "pip" | |
| - run: pip install -e '.[dev]' | |
| - run: make -C docs doctest | |
| from-sdf-example: | |
| runs-on: ubuntu-22.04 | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - uses: actions/setup-python@v5 | |
| with: | |
| python-version: "3.12" | |
| cache: "pip" | |
| - run: pip install -e '.[dev]' | |
| - run: | | |
| python examples/from_sdf.py data/molecules.sdf test-atomlite.db | |
| test -f test-atomlite.db | |
| read-database-example: | |
| runs-on: ubuntu-22.04 | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - uses: actions/setup-python@v5 | |
| with: | |
| python-version: "3.12" | |
| cache: "pip" | |
| - run: pip install -e '.[dev]' | |
| - run: python examples/read_database.py data/atomlite.db |