structure_(2|3)d_plotly now support ASE Atoms and sequences of them
#262
+144
−38
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
… sequences of them on top of pymatgen.Structure - via improved get_structures function to handle ASE Atoms detection and conversion - add show_counts="value+percent" option to spacegroup_sunburst - new test cases to validate single and multiple ASE Atoms work in structure_2d_plotly and structure_3d_plotly
janosh
added
enhancement
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
previously only (nested)
pymatgen.Structuresupportedget_structuresfunction to handle ASE Atoms detection and conversionstructure_2d_plotlyandstructure_3d_plotly