This repository has been archived by the owner on Jun 24, 2024. It is now read-only.

Reference set prep #33

Open

CatChenal opened this issue Mar 13, 2024 · 0 comments

Labels

Contributor

CatChenal commented Mar 13, 2024 •

edited

Loading

Devs only.
Gather functions from audit, cleanup into a single one to prepare a set of runs as a packaged 'refset'.

def prep_refset()
  . Check completion
  . Validate name
  . Run analysis
  . Copy to corresponding refset folder in data/
  . Prune copy: keep pk.out, sum_crg.out, run.prm.record, step2_out.pdb, new.tpl [,param/ ?].
  . Amend BENCH resource class
  . Amend all functions that can access a reference set
  .Test `bench_compare` with it.

The text was updated successfully, but these errors were encountered:

CatChenal added the enhancement label

Sign up for free to subscribe to this conversation on GitHub. Already have an account? Sign in.