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Refactor CLI function in af2ig.py to simplify execution of the AlphaFold2 initial guess by removing the Timer context manager, streamlining the code for better readability.
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Lines changed: 1 addition & 11 deletions

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src/pdmodels/af2ig.py

Lines changed: 1 addition & 11 deletions
Original file line numberDiff line numberDiff line change
@@ -26,8 +26,6 @@
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from Bio.SeqIO.FastaIO import SimpleFastaParser
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from tqdm.auto import tqdm
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from pdmodels.utils import Timer
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GeneralFeatureDict = MutableMapping[str, list[Any]]
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@@ -919,15 +917,7 @@ def cli(args: argparse.Namespace) -> None:
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# Run AlphaFold2 initial guess
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af2ig = Af2Ig(model_name, is_multimer, data_dir, data_pipeline)
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with Timer() as timer:
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af2ig.run(
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fasta_path,
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output_dir,
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random_seed=random_seed,
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asynchronous=args.asynchronous,
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)
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logging.info("Total time: %s", timer.elapsed)
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af2ig.run(fasta_path, output_dir, random_seed=random_seed, asynchronous=args.asynchronous)
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def setup_parser(parser: argparse.ArgumentParser) -> None:

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