Experimental: add show_bonds: bool | NearNeighbors = False to structure_(2|3)d_plotly
#233
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
…ased on any pymatgen NearNeighbors subclass defaults to CrystalNN
…le_heatmap_plotly
janosh
added
enhancement
janosh
added a commit
that referenced
this pull request
Mar 28, 2025
…cture_(2|3)d_plotly` (#233) * add crystal symmetry props to Key enum * rename _add_unit_cell to draw_unit_cell, add tests, then simplify * rename generate_subplot_title to get_subplot_title * add draw_bonds helper used by structure_(2|3)d_plotly to show bonds based on any pymatgen NearNeighbors subclass defaults to CrystalNN * rename get_image_sites->get_image_atoms * fix and improve test coverage of get_image_sites * tweak element_pair_rdfs axes label placement * add and test element_symbol_map: dict[str, str] | None = None to ptable_heatmap_plotly * default show_bonds to False (since half-baked and still experimental) * fix test_structure_2d_plotly_multiple and make more accurate
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Outdated suggestions cannot be applied.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.
disabled by default since this feature needs more polish and testing. in particular, drawing bonds to image atoms (on unit cell edges) is not currently implemented. currently only bonds between the lattice basis atoms are drawn