Update trainer_with_pdb_dataset_and_weighted_sampling.yaml (#234)

* Update trainer_with_pdb_dataset_and_weighted_sampling.yaml

* Update test_weighted_sampling.py

Author: amorehead

tests/configs/trainer_with_pdb_dataset_and_weighted_sampling.yaml

@@ -59,9 +59,9 @@ dataset_config:
     dataset_type: pdb
     train_folder: ./test-folder/data/train
     train_weighted_sampler:
-        interface_mapping_path: ./data/test/interface_cluster_mapping.csv
+        interface_mapping_path: ./data/test/data_caches/clusterings/interface_cluster_mapping.csv
         chain_mapping_paths:
-            - ./data/test/ligand_chain_cluster_mapping.csv
-            - ./data/test/nucleic_acid_chain_cluster_mapping.csv
-            - ./data/test/peptide_chain_cluster_mapping.csv
-            - ./data/test/protein_chain_cluster_mapping.csv
+            - ./data/test/data_caches/clusterings/ligand_chain_cluster_mapping.csv
+            - ./data/test/data_caches/clusterings/nucleic_acid_chain_cluster_mapping.csv
+            - ./data/test/data_caches/clusterings/peptide_chain_cluster_mapping.csv
+            - ./data/test/data_caches/clusterings/protein_chain_cluster_mapping.csv

tests/test_weighted_sampling.py

@@ -56,7 +56,7 @@ def test_cluster_based_sample(sampler: Sampler):
 @pytest.fixture()
 def populate_mock_pdb_and_remove_test_folders():
     proj_root = Path('.')
-    working_cif_file = proj_root / 'data' / 'test' / f'{DATA_TEST_PDB_ID}-assembly1.cif'
+    working_cif_file = proj_root / 'data' / 'test' / 'mmcifs' / DATA_TEST_PDB_ID[1:3] / f'{DATA_TEST_PDB_ID}-assembly1.cif'
 
     pytest_root_folder = Path('./test-folder')
     data_folder = pytest_root_folder / 'data'