Initial commit: Chai-1 protein structure prediction pipeline for WES
- Nextflow pipeline using chai1 Docker image from Harbor - S3-based input/output paths (s3://omic/eureka/chai-lab/) - GPU-accelerated protein folding with MSA support Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>
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tests/test_cif_utils.py
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24
tests/test_cif_utils.py
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# Copyright (c) 2024 Chai Discovery, Inc.
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# Licensed under the Apache License, Version 2.0.
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# See the LICENSE file for details.
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import pytest
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from chai_lab.data.io.cif_utils import get_chain_letter
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def test_get_chain_letter():
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with pytest.raises(AssertionError):
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get_chain_letter(0)
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assert get_chain_letter(1) == "A"
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assert get_chain_letter(26) == "Z"
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assert get_chain_letter(27) == "a"
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assert get_chain_letter(52) == "z"
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assert get_chain_letter(53) == "AA"
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assert get_chain_letter(54) == "AB"
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# For one-letter codes, there are 26 + 26 = 52 codes
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# For two-letter codes, there are 52 * 52 codes
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assert get_chain_letter(52 * 52 + 52) == "zz"
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