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Implement a "prerun step" using ProtInfo #55

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CatChenal opened this issue Jun 4, 2024 · 0 comments
Open

Implement a "prerun step" using ProtInfo #55

CatChenal opened this issue Jun 4, 2024 · 0 comments
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requirement Feature that must be implemented

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@CatChenal
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  • Using dataset structure from bench_setup, iterate over each pdb folder in runs/:
  • Collate the 2 dicts from each run, e.g:
for pdb_dir in bench_dir/runs:
    cd pdb_dir
     d1, d2 = protinfo.info.collect_info(pdb, args)
     prerun_data.append((d1, d2))
     cd ../
...

# collate report lines
# save report in `bench_dir`
  • Notes:
    • Report creation (aka, "prerun") is integral to bench_setup;
    • To display/serve it to the user, the 'launch right away' flag (--launch) must not be used in the bench_setup command.
@CatChenal CatChenal added the requirement Feature that must be implemented label Jun 4, 2024
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