lingyuzeng
5e7b236f31
Unify macrolactone detection, numbering, fragmentation, and splicing under the installable macro_lactone_toolkit package. - replace legacy src.* modules with the new package layout - add analyze/number/fragment CLI entrypoints and pixi tasks - migrate tests, README, and scripts to the new package API
12 lines
544 B
Markdown
12 lines
544 B
Markdown
# scripts
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这些脚本现在都是基于 `macro_lactone_toolkit.*` 的薄封装或迁移提示。
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- `batch_process.py`: 等价于 `macro-lactone-toolkit fragment`
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- `batch_process_ring16.py`: 等价于 `macro-lactone-toolkit fragment --ring-size 16`
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- `batch_process_multi_rings.py`: 自动识别模式的批处理封装
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- `analyze_fragments.py`: 等价于 `macro-lactone-toolkit analyze`
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- `tylosin_splicer.py`: 使用 `macro_lactone_toolkit.splicing.*` 做简单拼接
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核心实现与正式接口都在 `src/macro_lactone_toolkit/` 中。
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