-
Notifications
You must be signed in to change notification settings - Fork 35
Open
Labels
enhancementNew feature or requestNew feature or request
Description
As rightly pointed out by @tomdemeyere in #409 (comment), it would be better to change the Analysis class to have from_file and from_objects class methods to make it more cleaner and easily maintainable in future.
The issue of the Analysis and class LobsterNeighbors not respecting the single responsibility principle will be resolved
Todo
- Make Analysis and Description class instances
MSONable - Refactor featurizer modules to follow similar code base style
- Split out calc quality analysis as a separate class
- Try to refactor the CLI module more for simplicity
- Add fill area option in plotters
- Expose chemenv attributes and misc cli, featurizer enhancements #409 (comment), Expose chemenv attributes and misc cli, featurizer enhancements #409 (comment), Expose chemenv attributes and misc cli, featurizer enhancements #409 (comment) address these where feasible / necessary
Metadata
Metadata
Assignees
Labels
enhancementNew feature or requestNew feature or request