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Move src/inchi_tests to tests/test_library
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JanCBrammer committed Sep 26, 2024
1 parent 73b52e6 commit b84f88b
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4 changes: 3 additions & 1 deletion INCHI-1-TEST/pyproject.toml
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Expand Up @@ -13,7 +13,9 @@ run-tests = "inchi_tests.run_tests:main"
parse-log = "inchi_tests.parse_log:main"

[tool.setuptools.packages.find]
where = ["src"]
where = ["src", "tests/test_library"]
include = ["sdf_pipeline", "inchi_tests"]
namespaces = false

[tool.pytest.ini_options]
testpaths = ["tests"]
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4 changes: 2 additions & 2 deletions INCHI-1-TEST/tests/test_library/README.md
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Expand Up @@ -25,7 +25,7 @@ You can now run the commands that are mentioned in the remainder of this README.
If you prefer, run the tests in the [Visual Studio Code devcontainer](https://code.visualstudio.com/docs/devcontainers/containers)
that's specified under [.devcontainer.json](../../.devcontainer.json).
Note that in the devcontainer, you'll have to compile the InChI libraries yourself, see `INCHI-1-TEST/compile_inchi.sh` for details.
The test pipeline expects the library under `INCHI-1-TEST/libs`, see `INCHI-1-TEST/src/inchi_tests/run_tests.py`.
The test pipeline expects the library under `INCHI-1-TEST/libs`, see for example `INCHI-1-TEST/tests/test_library/config/config.invariance.py`.

## Datasets

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The tests can be configured with Python files (e.g., `config.py`).
We're not using other configuration formats (e.g., `config.yaml`),
since the configuration needs to be powerful enough to enable dynamic customization (e.g., parsing molfile ID).
We provide two [templates](INCHI-1-TEST/src/inchi_tests/config_models.py) under `config_models.py` that allow you to customize the configuration:
We provide two [templates](INCHI-1-TEST/tests/test_library/inchi_tests/config_models.py) under `config_models.py` that allow you to customize the configuration:

#### `TestConfig`

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