Missing, failing and slow tests. - Githubissues

uibcdf / OpenPharmacophore

An open library to work with pharmacophores.

https://www.uibcdf.org/OpenPharmacophore

MIT License

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Missing, failing and slow tests. #55

Closed Daniel-Ibarrola closed 2 years ago

Daniel-Ibarrola commented 2 years ago

Some tests are either incomplete (the tests exists but it has nothing in the body), some fail but were temporarily skipped and some, like the dynophore tests are just too slow. We should fix this.

The following tests are missing:

In test_screening.py

[x] test_confussion_matrix
[x] test_from_bioactivity_data

In test_io.py

[x] test_to_ligand_scout
[x] test_read_pharmagist

In test_dynophore.py

[x] test_first_and_last_pharmacophore
[x] test_pharmacophore_from_mdtraj
[x] test_pharmacophore_from_mdanalysis
[x] test_pharmacophores_from_frames