Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Active/inactive parsing in aflow examples is awkward #3

Open
zulissi opened this issue Nov 5, 2020 · 0 comments
Open

Active/inactive parsing in aflow examples is awkward #3

zulissi opened this issue Nov 5, 2020 · 0 comments
Assignees

Comments

@zulissi
Copy link
Member

zulissi commented Nov 5, 2020

The actives/inactives parsing is awkward with every element repeated (with '\n'). The species strings can be fixed with .strip() e.g. '5\n'.strip() returns '5'.

Also, the logic in select_bimetallic is a little awkward and only works for binaries. We could make this general with something like if len(set(actives).intersection(r.species))>0 and len(set(hosts).intersection(r.species))>0

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

2 participants