Skip to content

Conversation

@pm-blanco
Copy link
Collaborator

@pm-blanco pm-blanco commented Mar 19, 2025

Small fix to solve a bug reported by @nejedlama.

Fixed

  • Occasional crashes when the user provided backbone_vector as list instead than a ndarray in pmb.create_molecule()

@pm-blanco pm-blanco added the bug Something isn't working label Mar 19, 2025
@pm-blanco pm-blanco requested a review from davidbbeyer March 19, 2025 14:35
@pm-blanco pm-blanco self-assigned this Mar 19, 2025
@pm-blanco pm-blanco added this to the pyMBE 1.0.0 milestone Mar 19, 2025
@pm-blanco pm-blanco requested review from pinedaps and removed request for davidbbeyer March 26, 2025 08:57
Copy link
Contributor

@pinedaps pinedaps left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Looks OK. Nevertheless, It seems a bit more straightforward to me to put it as the else option of the already existing "if backbone_vector is None:" in the line 908 in
the case of pmb.create_molecule() and in the existing else for pmb.create_residue() in line 1193.

Copy link
Contributor

@pinedaps pinedaps left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Looks Great!

@pm-blanco pm-blanco merged commit 4d8bc5c into pyMBE-dev:main Mar 28, 2025
3 checks passed
1234somesh pushed a commit to 1234somesh/pyMBE that referenced this pull request May 21, 2025
* bugfix: support backbone_vector as a list

* remove unnecesary code lines, move missplaced if condition
@pm-blanco pm-blanco deleted the bugfix_backbone_vector branch August 12, 2025 13:24
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

bug Something isn't working

Projects

None yet

Development

Successfully merging this pull request may close these issues.

2 participants