v0.8.0
What's Changed
- allow for masking out redundant info from representation by @sgbaird in #138
- feat: encode and decode using
element_coder
by @kjappelbaum in #117 - public api / top-level imports since not using namespace packages by @sgbaird in #143 (note still need to use original import statements until
element-coder
conda-forge
dependency is resolved) - feat: implement click CLI by @kjappelbaum in #154
Other Changes
- png2xtal: if not isinstance(images, list) raise ValueError by @sgbaird in #137
- max_sites error msg: note about encode/decode_cell_type kwargs by @sgbaird in #139
- test_max_sites by @sgbaird in #140
- replace volume with num_sites and use num_sites as a mask by @sgbaird in #141
- Response to PeterKraus software paper review comments by @sgbaird in #147
- Add Kevin Jablonka and Colton Seegmiller as co-authors by @sgbaird in #148
- mention XtalConverter as top-level API, and other links to API by @sgbaird in #150
- jupyter notebooks and python scripts surfaced in docs via nbsphinx by @sgbaird in #151
- move toctree to examples.md and use nbsphinx recommended format by @sgbaird in #152
- docs: paper edits by @kjappelbaum in #153
- fixup toctree syntax by @sgbaird in #155
- nbsphinx_link and scripts in examples tab by @sgbaird in #156
- Update 2.1-xtal2png-cnn-classification.ipynb by @sgbaird in #158
- add ipykernel as docs req by @sgbaird in #157
- fixup files and content for nbsphinx_link by @sgbaird in #159
- add title to imagen-pytorch nb by @sgbaird in #160
- touching up presentation of notebooks within docs by @sgbaird in #161
- fix typo (as --> and) and syntax error in 2 references for smiles/selfies by @sgbaird in #163
- split xtal2png_test into multiple modules and test loading saved images by @sgbaird in #164
- Create parameters-notes.txt by @sgbaird in #166
- remove leftover sys.stdout restoration by @sgbaird in #165
- rm code graveyard in core.py by @sgbaird in #169
- maxdepth should be 2 for the examples toctree by @sgbaird in #170
Full Changelog: v0.7.0...v0.8.0