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mattragoza / LiGAN

Deep generative models of 3D grids for structure-based drug discovery
GNU General Public License v2.0
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tests ValueError: File does not exist: data/test_pockets/xxx #53

Closed zyx5256 closed 2 years ago

zyx5256 commented 2 years ago

ERROR tests/test_generating.py::TestGenerator::test_generator_init[data/test_pockets/AROK_MYCTU_1_176_0/fixed_input_1zyu_A_rec_mutants.types] - ValueError: Could not open ... ERROR tests/test_generating.py::TestGenerator::test_generator_init[data/test_pockets/AROK_MYCTU_1_176_0/fixed_cond_1zyu_A_rec_mutants.types] - ValueError: Could not open f... ERROR tests/test_generating.py::TestGenerator::test_gen_forward[data/test_pockets/AROK_MYCTU_1_176_0/fixed_input_1zyu_A_rec_mutants.types] - ValueError: Could not open fil... ERROR tests/test_generating.py::TestGenerator::test_gen_forward[data/test_pockets/AROK_MYCTU_1_176_0/fixed_cond_1zyu_A_rec_mutants.types] - ValueError: Could not open file... ERROR tests/test_generating.py::TestGenerator::test_gen_forward2[data/test_pockets/AROK_MYCTU_1_176_0/fixed_input_1zyu_A_rec_mutants.types] - ValueError: Could not open fi... ERROR tests/test_generating.py::TestGenerator::test_gen_forward2[data/test_pockets/AROK_MYCTU_1_176_0/fixed_cond_1zyu_A_rec_mutants.types] - ValueError: Could not open fil... ERROR tests/test_generating.py::TestGenerator::test_generate[data/test_pockets/AROK_MYCTU_1_176_0/fixed_input_1zyu_A_rec_mutants.types] - ValueError: Could not open file d... ERROR tests/test_generating.py::TestGenerator::test_generate[data/test_pockets/AROK_MYCTU_1_176_0/fixed_cond_1zyu_A_rec_mutants.types] - ValueError: Could not open file da...

zyx5256 commented 2 years ago

the log is shown above. I notice that there's no "test_pockets" directory under tests/, neither does those files. How can I get them? Or maybe I should just skip those ut tests...

mattragoza commented 2 years ago

You can ignore this, but thanks for bringing it to my attention. There are a few test input files missing from the repo.

mattragoza commented 2 years ago

I have added the missing data files to the repo, so all the tests should pass now.