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
13 lines
304 B
Python
13 lines
304 B
Python
from macro_lactone_toolkit import FragmentationResult
|
|
|
|
|
|
def main() -> None:
|
|
raise SystemExit(
|
|
"Legacy helper retired. Use 'macro-lactone-toolkit fragment' to export fragments, "
|
|
"then generate SDF/statistics in downstream analysis code."
|
|
)
|
|
|
|
|
|
if __name__ == "__main__":
|
|
main()
|