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tests/test_dataloading.py

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@@ -1,4 +1,5 @@
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import os
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import pytest
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from alphafold3_pytorch import collate_inputs_to_batched_atom_input
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from alphafold3_pytorch.alphafold3 import Alphafold3
@@ -11,17 +12,17 @@
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def test_data_input():
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pytest.skip(f"data/mmcif not populated yet")
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data_test = os.path.join("data", "test")
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"""Test a PDBDataset constructed using a WeightedPDBSampler."""
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interface_mapping_path = os.path.join("data", "test", "interface_cluster_mapping.csv")
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interface_mapping_path = os.path.join(data_test, "interface_cluster_mapping.csv")
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chain_mapping_paths = [
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os.path.join("data", "test", "ligand_chain_cluster_mapping.csv"),
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os.path.join(
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"data",
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"test",
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"nucleic_acid_chain_cluster_mapping.csv",
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),
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os.path.join("data", "test", "peptide_chain_cluster_mapping.csv"),
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os.path.join("data", "test", "protein_chain_cluster_mapping.csv"),
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os.path.join(data_test, "ligand_chain_cluster_mapping.csv"),
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os.path.join(data_test, "nucleic_acid_chain_cluster_mapping.csv"),
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os.path.join(data_test, "peptide_chain_cluster_mapping.csv"),
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os.path.join(data_test, "protein_chain_cluster_mapping.csv"),
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]
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sampler = WeightedPDBSampler(

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