Releases: janosh/pymatviz
Releases · janosh/pymatviz
v0.9.3
What's Changed
💥 Breaking Changes
🐛 Bug Fixes
- Moving enums may have broken end users pickle's, reduce to str when pickling to be more backwards compatible going forward. by @CompRhys in #176
- Fix unit test for ptable plotly by @DanielYang59 in #177
🛠 Enhancements
📖 Documentation
- Fix ptable scatter examples in homepage by @DanielYang59 in #180
Full Changelog: v0.9.2...v0.9.3
v0.9.2
🧪 lots of new test coverage in this release!
What's Changed
💥 Breaking Changes
- Fix
log_density
indensity_scatter_plotly
by @janosh in #172
breaking causepymatviz.utils.(VALID_BACKENDS | MPL_BACKEND | PLOTLY_BACKEND)
renamed toBACKENDS | MATPLOTLIB | PLOTLY
🐛 Bug Fixes
- Fix missing keys
Te
+Nd
inELEM_COLORS_VESTA
and support it inplot_structure_2d
by @janosh in #173 - Fix
ptable_heatmap_plotly
color scale tick labels forlog=True
by @janosh in #174
Full Changelog: v0.9.1...v0.9.2
v0.9.1
What's Changed
🐛 Bug Fixes
- Fix bad NPY002 migration by @janosh in #163
- Add
toggle_log_linear_y_axis
powerup by @janosh in #165 - Fix
density_scatter_plotly
metric annotation by @janosh in #166 - Fix and test
ptable_heatmap
text color logic by @janosh in #169 - Fix
count_elements
for series ofComposition
by @janosh in #170
🛠 Enhancements
- Add
plot_xrd_pattern()
for creating interactive XRD patterns with plotly by @janosh in #167 plot_xrd_pattern
acceptDiffractionPattern | Structure
as input by @janosh in #168- Split
powerups
module bybackend
:matplotlib
/plotly
/both
by @janosh in #171
Full Changelog: v0.9.0...v0.9.1
v0.9.0
What's Changed
💥 Breaking Changes
🎉 New Features
- Add
pymatviz.histogram.plot_histogram
by @janosh in #159 (💥 breaking) density_scatter_plotly()
by @janosh in #161 (💥 breaking)
🐛 Bug Fixes
🛠 Enhancements
- Support passing sequence of structures to
plot_structure_2d()
to be plotted in grid by @janosh in #156 ptable_scatters
allow 3rd data dimension for colormap by @DanielYang59 in #155
💡 Refactoring
Full Changelog: v0.8.3...v0.9.0
v0.8.3
What's Changed
- Add
mlff_phonons.ipynb
example notebook by @janosh in #144 - Fix
ptable_heatmap_splits
TypeErrors
by @janosh in #146 - MatPES EDA script by @janosh in #147
- Add keyword
log: bool = False
tospacegroup_hist
to log scale y-axis by @janosh in #148 - [Enhancement/Breaking] Refactor
ptable_hists
by @DanielYang59 in #149 - Handle missing value (NaN) and infinity for ptable data by @DanielYang59 in #152
- Fix
PTableProjector.hide_f_block
property by @janosh in #154
Full Changelog: v0.8.2...v0.8.3
v0.8.2
What's Changed
plot_phonon_bands()
add kwargsbranch_mode: "union" | "intersection" = "union"
andbranches: Sequence[str] = ()
by @janosh in #124add_best_fit_line()
power-up by @janosh in #125- Add
validate_fig
decorator utility by @janosh in #126 - MACE-MP pair repulsion curves by @janosh in #127
- Copy color options for element types from
ptable_plots
toptable_hists
by @janosh in #129 - Migrate to flat
eslint
config file by @DanielYang59 in #137 - Refactor
ptable
plotters and addptable_heatmap
with diagonally-split tiles by @DanielYang59 in #131 - Remove text background and fix z-order in
structure_viz
by @DanielYang59 in #139 - Add keyword
hide_f_block: bool = None
(La and Ac series) toptable
plotters by @DanielYang59 in #140 - Add
pymatviz/enums.py
for SSOT on dataframe column and dict key names by @janosh in #143
Full Changelog: v0.8.1...v0.8.2
v0.8.1
What's Changed
- Add
plot_phonon_dos()
for interactive plotly DOS plots by @janosh in #113 - Add
show_values: bool = True
toptable_heatmap[_plotly]()
andlast_peak_anno: str
toplot_phonon_dos()
by @janosh in #114 - Add
plot_phonon_bands_and_dos()
by @janosh in #115 - Spacegroup hist plotly by @janosh in #116
add_ecdf_line()
utility for plotting empirical cumulative distribution functions by @janosh in #117- Add
pytest
fixturesdf_(float|mixed)
to replace deletedpd._testing.make(Mixed)DataFrame()
by @janosh in #121 - Minor format tweaks by @DanielYang59 in #120
- Add ptable_scatter by @DanielYang59 in #122
- Breaking: rename custom plotly template
pymatviz_(black->dark)
by @janosh in #123
New Contributors
- @DanielYang59 made their first contribution in #120
Full Changelog: v0.8.0...v0.8.1
v0.8.0
What's Changed
plot_structure_2d
add specialsite_labels: "symbol" | "species"
by @janosh in #101- Breaking: rename
get_crystal_sys
tocrystal_sys_from_spg_num
by @janosh in #103 - Add class
TqdmDownload
by @janosh in #104 ptable_heatmap
add keywordscbar_range
andcbar_kwargs
by @janosh in #105ptable_heatmap_plotly
support 1s, 0s and negative values withlog=True
by @janosh in #107- Add function
ptable_hists
by @janosh in #100 - Tweaks by @janosh in #108
- Support matplotlib
Axes
andFigure
inadd_identity_line
by @janosh in #109 - Define custom
pymatviz
plotly templates by @janosh in #110 - Add
hist_kwds
arg toptable_hists
to customize histograms by @janosh in #111 - Add
plot_band_structure
in newpymatviz/bandstructure.py
module by @janosh in #112
Full Changelog: v0.7.3...v0.8.0