bowman-lab / enspara

Modeling molecular ensembles with scalable data structures and parallel computing
https://enspara.readthedocs.io
GNU General Public License v3.0
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Resolve file not found error when center features path isn't absolute #201

Closed roblaine closed 1 year ago

roblaine commented 4 years ago

Resolves an issue related to passing an argument to --center-features flag for cluster.py.

See discussion on #195 for related information.

@justinrporter feel free to edit the PR as required. 😄

justinrporter commented 4 years ago

Thanks for making this PR!

One question... what happens if I use a path like ../path/to/thing? It's not absolute, but there's no need to mess with it, right?

roblaine commented 4 years ago

Let me double check and sure it doesn't cause any issues

justinrporter commented 4 years ago

If you run in to trouble, an alternative strategy would be just to check outdirs to see if it's the empty string (e.g. if outdirs:) before calling os.makedirs to create non-existing directories.