Skip to content

Minor bug in the error message OnionSmoothInsight. #117

@SimoneMartino98

Description

@SimoneMartino98

In dump_colored_trj, it should be replaced self.labels.shape[0] with self.labels.shape[1].

if self.labels.shape != (n_atoms, n_frames):
    msg = (
        f"Shape mismatch: Trj should have {self.labels.shape[0]} "
        f"atoms, {self.labels.shape[0]} frames, but has {n_atoms} "
        f"atoms, {n_frames} frames."
    )
    logger.log(msg)
    raise ValueError(msg)

Metadata

Metadata

Labels

bugSomething isn't working

Type

Projects

No projects

Milestone

No milestone

Relationships

None yet

Development

No branches or pull requests

Issue actions