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Replace pickled dataframes #221

Merged
merged 17 commits into from
Nov 23, 2023
Merged

Replace pickled dataframes #221

merged 17 commits into from
Nov 23, 2023

Commits on Nov 22, 2023

  1. Create fixture for expected_tanimoto_scores_df

    @niekdejonge
    niekdejonge committed Nov 22, 2023
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  2. Create csv file for 100_test_spectra_tanimoto_scores.csv

    @niekdejonge
    niekdejonge committed Nov 22, 2023
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  3. Use csv file instead of pickled file in tests for 100_test_spectra_ta… 

    …nimoto_scores.pickle
    @niekdejonge
    niekdejonge committed Nov 22, 2023
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  4. Move file loading to conftest

    @niekdejonge
    niekdejonge committed Nov 22, 2023
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  5. Replace pickled ms2ds embeddings with csv file

    @niekdejonge
    niekdejonge committed Nov 22, 2023
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  6. Rollback replace pickled ms2ds embedding with csv

    @niekdejonge
    niekdejonge committed Nov 22, 2023
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  7. Restore 100_test_spectra_ms2ds_embeddings.pickle

    @niekdejonge
    niekdejonge committed Nov 22, 2023
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  8. Remove expected_ms2ds_scores.pickle and replace with testing a few va… 

    …lues.
    @niekdejonge
    niekdejonge committed Nov 22, 2023
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  9. Remove the train and val data and replace the 20 example spectra with… 

    … the 100 example spectra.
    @niekdejonge
    niekdejonge committed Nov 22, 2023
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  10. Set add_compound_classes to false in test_create_sqlite_file, since t… 

    …his can crash when internet is lacking.
    @niekdejonge
    niekdejonge committed Nov 22, 2023
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  11. Remove test_tanimoto_scores.pickle

    @niekdejonge
    niekdejonge committed Nov 22, 2023
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  12. Remove path_to_test_files_fixture

    @niekdejonge
    niekdejonge committed Nov 22, 2023
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  13. Add general_test_files to path_to_tests_dir in ms2library

    @niekdejonge
    niekdejonge committed Nov 22, 2023
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  14. Use path_to_general_test_files in ms2library

    @niekdejonge
    niekdejonge committed Nov 22, 2023
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  15. Make all test files use path_to_general_test_files

    @niekdejonge
    niekdejonge committed Nov 22, 2023
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  16. Remove the general_test_files_folder

    @niekdejonge
    niekdejonge committed Nov 22, 2023
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Commits on Nov 23, 2023

  1. Added changes to changelog

    @niekdejonge
    niekdejonge committed Nov 23, 2023
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