Skip to content

Removing alpha-spheres from AlphaSpheres class #12

Description

@dprada

We need three new methods in AlphaSpheres.

  • remove_alpha_spheres: to remove a set of alpha-spheres given a list of alpha-spheres indices.
  • remove_small_alpha_spheres: to remove those alpha-spheres with a radius smaller than a given length.
  • remove_big_alpha_spheres: to remove those alpha-spheres with a radius larger than a given length.

Please @casuarioq, complete the docstrings of these new methods using the Numpy style.

¿Why do we need these methods? You can look for the answer in the description of the algorithms used by Fpocket or AlphaSpace.

Activity

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

Metadata

Metadata

Assignees

Labels

enhancementNew feature or request

Type

No type

Projects

Relationships

None yet

Development

No branches or pull requests

Issue actions