https://github.com/janosh/matterviz - v0.1.9

What's Changed

🛠 Enhancements

• Interactive symmetry analysis powered by moyo WASM bindings by @janosh in https://github.com/janosh/matterviz/pull/140
• Wyckoff table by @janosh in https://github.com/janosh/matterviz/pull/141
• Structure rotation controls by @janosh in https://github.com/janosh/matterviz/pull/144 ### 🐛 Bug Fixes
• Fix missing Structure/Trajectory pane scroll in overflow: hidden containers by @janosh in https://github.com/janosh/matterviz/pull/142

Full Changelog: https://github.com/janosh/matterviz/compare/v0.1.8...v0.1.9

- TypeScript
Published by janosh 6 months ago

https://github.com/janosh/matterviz - v0.1.8

What's Changed

🛠 Enhancements

• Optimade page 3-column layout (providers, suggestions, structure) by @janosh in https://github.com/janosh/matterviz/pull/126
• Measure distances and angles between selected Structure sites by @janosh in https://github.com/janosh/matterviz/pull/137 ### 🐛 Bug Fixes
• Fix parsing mof-issue-127.cif by @janosh in https://github.com/janosh/matterviz/pull/128
• Disable Structure/Trajectory fullscreen buttons in non-browser contexts by @janosh in https://github.com/janosh/matterviz/pull/133
• Set VSCode preferred extension location by @janosh in https://github.com/janosh/matterviz/pull/136

Full Changelog: https://github.com/janosh/matterviz/compare/v0.1.7...v0.1.8

- TypeScript
Published by janosh 6 months ago

https://github.com/janosh/matterviz - v0.1.7

What's Changed

🛠 Enhancements

• Settings reset buttons by @janosh in https://github.com/janosh/matterviz/pull/116
• Supercells by @janosh in https://github.com/janosh/matterviz/pull/117 ### 🐛 Bug Fixes
• Fix large trajectory loading in VSCode extension by @janosh in https://github.com/janosh/matterviz/pull/115
• Move structure IO by @janosh in https://github.com/janosh/matterviz/pull/123
• Change default camera projection to orthographic by @janosh in https://github.com/janosh/matterviz/pull/124
• Fix supported_resource context for keyboard shortcut when in VSCode extension by @janosh in https://github.com/janosh/matterviz/pull/125 ### 🧪 Tests
• Improve unit tests by @janosh in https://github.com/janosh/matterviz/pull/118

Full Changelog: https://github.com/janosh/matterviz/compare/v0.1.6...v0.1.7

- TypeScript
Published by janosh 6 months ago

https://github.com/janosh/matterviz - v0.1.6

What's Changed

🛠 Enhancements

• Streaming trajectory loader and parser to support large MD files by @janosh in https://github.com/janosh/matterviz/pull/112
• Add parsing routines for single OPTIMADE JSON by @ml-evs in https://github.com/janosh/matterviz/pull/100
• More Histogram features (near parity with ScatterPlot) by @janosh in https://github.com/janosh/matterviz/pull/101
• Add camera projection selector to StructureControls: perspective (default) or orthographic by @janosh in https://github.com/janosh/matterviz/pull/105
• StructureControls now has CIF and POSCAR export buttons (file export and clipboard copy) by @janosh in https://github.com/janosh/matterviz/pull/110
• Customize site labels (size, color, padding, background color, offset) via StructureControls by @janosh in https://github.com/janosh/matterviz/pull/111
• Lots of VSCode extension settings for customizing default appearance of Structure and Trajectory viewers by @janosh in https://github.com/janosh/matterviz/pull/114 (see extension readme for examples) ### 🐛 Bug Fixes
• Fix VSCode PNG export by @janosh in https://github.com/janosh/matterviz/pull/103
• Fix Matterviz auto-render triggering on unsupported files by @janosh in https://github.com/janosh/matterviz/pull/108
• Fix CIF parsing of TiO2 (mp-2657) by @janosh in https://github.com/janosh/matterviz/pull/109

New Contributors

• @ml-evs made their first contribution in https://github.com/janosh/matterviz/pull/100

Full Changelog: https://github.com/janosh/matterviz/compare/v0.1.5...v0.1.6

- TypeScript
Published by janosh 7 months ago

https://github.com/janosh/matterviz - v0.1.5

What's Changed

🛠 Enhancements

• Significant speedups of Trajectory and Structure viewers by @janosh in https://github.com/janosh/matterviz/pull/96
• Add auto-render setting to VSCode extension by @janosh in https://github.com/janosh/matterviz/pull/97

Full Changelog: https://github.com/janosh/matterviz/compare/v0.1.4...v0.1.5

- TypeScript
Published by janosh 7 months ago

https://github.com/janosh/matterviz - v0.1.4

🛠 Enhancements

• Add ContextMenu.svelte used on double click in Composition.svelte to select chart mode, color palette, export text/JSON/SVG/PNG by @janosh in https://github.com/janosh/matterviz/pull/94
• URL-based data loading in Structure and refactored in Trajectory by @janosh in https://github.com/janosh/matterviz/pull/93

🐛 Bug Fixes

• Fix vscode extension build by @janosh in https://github.com/janosh/matterviz/pull/95
• Housekeeping + Fixes by @janosh in https://github.com/janosh/matterviz/pull/92

💥 Breaking Changes

• Structure.svelte rename prop show_buttons to show_controls for consistency with other components by @janosh

Full Changelog: https://github.com/janosh/matterviz/compare/v0.1.3...v0.1.4

- TypeScript
Published by janosh 7 months ago

https://github.com/janosh/matterviz - v0.1.3

What's Changed

🛠 Enhancements

• Add color theme support to MatterViz Web and VSCode by @janosh in https://github.com/janosh/matterviz/pull/86
• DraggablePanel replaces ControlPanel used by StructureControls, StructureInfoPanel, ScatterPlotControls by @janosh in https://github.com/janosh/matterviz/pull/89
• VSCode extension file-watching: Structure and Trajectory viewers auto-update on file changes by @janosh in https://github.com/janosh/matterviz/pull/91 ### 🐛 Bug Fixes
• Add HistogramControls using DraggablePanel, rename TrajectorySidebar to TrajectoryInfoPanel now also using DraggablePanel by @janosh in https://github.com/janosh/matterviz/pull/90

Full Changelog: https://github.com/janosh/matterviz/compare/v0.1.2...v0.1.3

- TypeScript
Published by janosh 8 months ago

https://github.com/janosh/matterviz - v0.1.2

What's Changed

🛠 Enhancements

• VSCode extension for rendering structures and trajectories with MatterViz directly in editor tabs by @janosh in https://github.com/janosh/matterviz/pull/82
• Big speedup of binary trajectory parsing by avoiding data-URI conversion, use ArrayBuffer directly by @janosh in https://github.com/janosh/matterviz/pull/81
• Force vectors by @janosh in https://github.com/janosh/matterviz/pull/80
• Allow toggling between histogram and line plot of properties in Trajectory viewer by @janosh in https://github.com/janosh/matterviz/pull/85

Full Changelog: https://github.com/janosh/matterviz/compare/v0.1.0...v0.1.2

- TypeScript
Published by janosh 8 months ago

https://github.com/janosh/matterviz - v0.1.0

What's Changed

🛠 Enhancements

• Add tick labels to ColorBar by @janosh in https://github.com/janosh/matterviz/pull/19
• Add prop color_scale_range to PeriodicTable by @janosh in https://github.com/janosh/matterviz/pull/20
• Structure allow selecting from different element color schemes + override individual elements by @janosh in https://github.com/janosh/matterviz/pull/29
• Structure hide buttons on desktop until hover by @janosh in https://github.com/janosh/matterviz/pull/31
• Structure tooltips when hovering atoms by @janosh in https://github.com/janosh/matterviz/pull/33
• Highlight active and hovered sites in Structure by @janosh in https://github.com/janosh/matterviz/pull/34
• Add materials detail pages by @janosh in https://github.com/janosh/matterviz/pull/35
• Add Bond component by @janosh in https://github.com/janosh/matterviz/pull/37
• Show cylinder between active and hovered sites by @janosh in https://github.com/janosh/matterviz/pull/40
• Add Lattice.svelte by @janosh in https://github.com/janosh/matterviz/pull/41
• Add SymmetryCard.svelte by @janosh in https://github.com/janosh/matterviz/pull/42
• Add props and control sliders for ambient and directional lighting to Structure by @janosh in https://github.com/janosh/matterviz/pull/45
• Support partial site occupancies by rendering atoms as multiple sphere slices by @janosh in https://github.com/janosh/matterviz/pull/46
• Add parse_si_float inverse function to pretty_num in labels.ts by @janosh in https://github.com/janosh/matterviz/pull/50
• Migrate to Svelte 5 runes syntax by @janosh in https://github.com/janosh/matterviz/pull/55
• ScatterPlot support custom x/y tick label spacing and formatting by @janosh in https://github.com/janosh/matterviz/pull/56
• Make ScatterPlot.svelte drag-zoomable and add auto-placed ColorBar by @janosh in https://github.com/janosh/matterviz/pull/59
• Auto-placed ScatterPlot labels by @janosh in https://github.com/janosh/matterviz/pull/60
• PlotLegend.svelte by @janosh in https://github.com/janosh/matterviz/pull/61
• ScatterPlot allow custom tween easing and interpolation functions + fix NaNs in interpolated ScatterPoint coords when tweening between linear/log scaled by @janosh in https://github.com/janosh/matterviz/pull/62
• Fix ScatterPlot zoom by @janosh in https://github.com/janosh/matterviz/pull/63
• More element color schemes by @janosh in https://github.com/janosh/matterviz/pull/65
• Add PeriodicTable element tile tooltip and more Structure UI controls by @janosh in https://github.com/janosh/matterviz/pull/66
• Lattice replace wireframe with EdgesGeometry cylinders and add PBC distance calculation in Structure hover tooltip (prev. direct only) by @janosh in https://github.com/janosh/matterviz/pull/67
• Support dragging POSCAR + (ext)XYZ files onto the Structure viewer by @janosh in https://github.com/janosh/matterviz/pull/68
• Add drag-and-drop CIF file support to Structure.svelte by @janosh in https://github.com/janosh/matterviz/pull/70
• Add new lib/composition module with PieChart/BubbleChart/BarChart components for rendering chemical formulae by @janosh in https://github.com/janosh/matterviz/pull/73
• ElementTile split support for multi-value PeriodicTable heatmaps + more testing by @janosh in https://github.com/janosh/matterviz/pull/74
• Add Trajectory sidebar, full-screen toggle, and plot/structure/plot+structure display mode buttons by @janosh in https://github.com/janosh/matterviz/pull/77
• phonopy.yaml support by @janosh in https://github.com/janosh/matterviz/pull/79 ### 🐛 Bug Fixes
• Structure grid example by @janosh in https://github.com/janosh/matterviz/pull/30
• Fix structure controls for atom_radius, same_size_atoms by @janosh in https://github.com/janosh/matterviz/pull/38
• Structure fixes by @janosh in https://github.com/janosh/matterviz/pull/64
• Color bonds as linear gradient between connected element colors, fix ElementTile not using user-set text_color by @janosh in https://github.com/janosh/matterviz/pull/71 ### 🏥 Package Health
• Split /src/lib into submodules by @janosh in https://github.com/janosh/matterviz/pull/36
• Swap node for deno by @janosh in https://github.com/janosh/matterviz/pull/76
• Rename package from elementari to matterviz by @janosh in https://github.com/janosh/matterviz/pull/78 ### 🤷‍♂️ Other Changes
• Add fill area below elemental periodicity line plot by @janosh in https://github.com/janosh/matterviz/pull/4
• Bohr Atoms by @janosh in https://github.com/janosh/matterviz/pull/6
• Fix build after update to vite v3 by @janosh in https://github.com/janosh/matterviz/pull/7
• SvelteKit auto migration by @janosh in https://github.com/janosh/matterviz/pull/8
• Update scatter tooltip when hovering element tiles by @janosh in https://github.com/janosh/matterviz/pull/9
• Migrate to PNPM by @janosh in https://github.com/janosh/matterviz/pull/12
• Convert src/lib/element-data.{ts -> yml} by @janosh in https://github.com/janosh/matterviz/pull/13
• Heatmap unit test by @janosh in https://github.com/janosh/matterviz/pull/14
• Deploy site to GitHub Pages by @janosh in https://github.com/janosh/matterviz/pull/15
• AVIF element images by @janosh in https://github.com/janosh/matterviz/pull/18
• Add unit tests for ColorBar.svelte by @janosh in https://github.com/janosh/matterviz/pull/21
• DRY workflows and ColorBar snap tick labels to nice values by @janosh in https://github.com/janosh/matterviz/pull/22
• Rename ColorBar props by @janosh in https://github.com/janosh/matterviz/pull/27
• Initial support for rendering interactive 3d structures by @janosh in https://github.com/janosh/matterviz/pull/28
• Get started with testing Structure.svelte and structure.ts by @janosh in https://github.com/janosh/matterviz/pull/32
• Fix and speedup max_dist and nearest_neighbor bonding algorithms by @janosh in https://github.com/janosh/matterviz/pull/48
• Couple new unit tests by @janosh in https://github.com/janosh/matterviz/pull/52
• Add color_scale_type, color_scheme, color_range props to ScatterPlot for coloring points by numeric values by @janosh in https://github.com/janosh/matterviz/pull/58
• Trajectory viewer by @janosh in https://github.com/janosh/matterviz/pull/75

Full Changelog: https://github.com/janosh/matterviz/commits/v0.1.0

- TypeScript
Published by janosh 8 months ago

https://github.com/janosh/matterviz - v0.4.1

What's Changed

🛠 Enhancements

• Add new lib/composition module with PieChart/BubbleChart/BarChart components for rendering chemical formulae by @janosh in https://github.com/janosh/elementari/pull/73

Full Changelog: https://github.com/janosh/elementari/compare/v0.4.0...v0.4.1

- TypeScript
Published by janosh 9 months ago

https://github.com/janosh/matterviz - v0.4.0

What's Changed

🛠 Enhancements

• More element color schemes by @janosh in https://github.com/janosh/elementari/pull/65
• Add PeriodicTable element tile tooltip and more Structure UI controls by @janosh in https://github.com/janosh/elementari/pull/66
• Lattice replace wireframe with EdgesGeometry cylinders and add PBC distance calculation in Structure hover tooltip (prev. direct only) by @janosh in https://github.com/janosh/elementari/pull/67
• Support dragging POSCAR + (ext)XYZ files onto the Structure viewer by @janosh in https://github.com/janosh/elementari/pull/68
• Add drag-and-drop CIF file support to Structure.svelte by @janosh in https://github.com/janosh/elementari/pull/70 ### 🐛 Bug Fixes
• Structure fixes by @janosh in https://github.com/janosh/elementari/pull/64
• Color bonds as linear gradient between connected element colors, fix ElementTile not using user-set text_color by @janosh in https://github.com/janosh/elementari/pull/71

Full Changelog: https://github.com/janosh/elementari/compare/v0.3.15...v0.4.0

- TypeScript
Published by janosh 9 months ago

https://github.com/janosh/matterviz - v0.3.2

What's Changed

• ScatterPlot support custom x/y tick label spacing and formatting by @janosh in https://github.com/janosh/elementari/pull/56

Full Changelog: https://github.com/janosh/elementari/compare/v0.3.0...v0.3.2

- TypeScript
Published by janosh 11 months ago

https://github.com/janosh/matterviz - v0.3.0

What's Changed

• Migrate to Svelte 5 runes syntax by @janosh in https://github.com/janosh/elementari/pull/55

Full Changelog: https://github.com/janosh/elementari/compare/v0.2.7...v0.3.0

- TypeScript
Published by janosh 11 months ago

https://github.com/janosh/matterviz - v0.2.7

• allow multiple lines/sets of points in ScatterPlot 37ecf4e
• update all deps to latest and migrate unit tests to svelte v5 4a8b352

Full Changelog: https://github.com/janosh/elementari/compare/v0.2.6...v0.2.7

- TypeScript
Published by janosh about 1 year ago

https://github.com/janosh/matterviz - v0.2.4

What's Changed

• Support partial site occupancies by rendering atoms as multiple sphere slices by @janosh in https://github.com/janosh/elementari/pull/46
• Fix and speedup max_dist and nearest_neighbor bonding algorithms by @janosh in https://github.com/janosh/elementari/pull/48
• Add parse_si_float inverse function to pretty_num in labels.ts by @janosh in https://github.com/janosh/elementari/pull/50
• Couple new unit tests by @janosh in https://github.com/janosh/elementari/pull/52

Full Changelog: https://github.com/janosh/elementari/compare/v0.2.3...v0.2.4

- TypeScript
Published by janosh about 1 year ago

https://github.com/janosh/matterviz - v0.2.3

What's Changed

• Add SymmetryCard.svelte by @janosh in https://github.com/janosh/elementari/pull/42
• Add props and control sliders for ambient and directional lighting to Structure by @janosh in https://github.com/janosh/elementari/pull/45
• add /molecule demo page with initial examples water, methane, benzene 71ce70b
• fix findimageatoms() for non-cuboid lattices 9138582
• add lib/structure/bonding.ts with maxdist and nearestneighbor bonding strategies f707cf2
• add lib/math.ts 58cf060
• Structure add fullscreen button + improve default initial camera_position bda2e5f
• fix black text color on transparent ElementTiles 3ace071
• add src/emmetpydanticto_ts.py to auto-convert emmet pydantic models to typescript types e4bcc92
• add /api page to inspect AWS Open Data schema 83bc866
• add similar structures and robocrys sections to mp-[slug] page d4dce4b
• extract (demos)/periodic-table/+page.svelte from landing page, change landing +page.svelte to +page.md cd32144
• fix duplicate bonds in maxdist and nearestneighbor functions 14027e3
• StructureScene add prop fov: number | undefined = undefined 770ffbf
• rename prop sitelabels -> showsitelabels, default to true + fix site sitelabels rendering ff0336a
• add largest MP structure mp-1204603 to demo 1b0bc6d
• bump threlte to v6 official release 45e3dc2
• periodic-table.test.ts don't iterate over full table, do random subset for speed be68b6a
• fetch_zipped() only console.error, not raise if !response.ok f46cee0

Full Changelog: https://github.com/janosh/elementari/compare/v0.2.0...v0.2.3

- TypeScript
Published by janosh about 2 years ago

https://github.com/janosh/matterviz - v0.2.0

What's Changed

• Add Lattice.svelte #41
• Show cylinder between active and hovered sites #40
• Fix structure controls for atom_radius, same_size_atoms #38
• Add Bond component #37
• Split /src/lib into submodules #36
• Add materials detail pages #35
• Highlight active and hovered sites in Structure #34
• Structure tooltips when hovering atoms #33
• get started with testing Structure.svelte and structure.ts #32
• Structure hide buttons on desktop until hover #31
• Structure grid example #30
• Structure allow selecting from different element color schemes + override individual elements #29
• add function findimageatoms() used in StructureScene to draw images of atoms 3098d6c
• Structure add prop showimageatoms, expand MaterialCard to show more attrs, mp-[slug] pages sync material ID with url f43dd31
• add Structure control bond_color + make all Structure CSS into variables a79ff00
• make initial camera_position responsive to crystal size 5b1e82a
• use InstancedMesh from @threlte/extras for more efficient drawing of crystal sites 142effb
• add API explorer page (under /api) 2a7c60e
• display distance between active and hovered site in hover tooltip 9e1af46
• add props c586225
• drop valid Pymatgen structures as JSON files on Structure.svelte to display them 7127b18
• PeriodicTable add prop color_overrides 1042bf2
• add copy buttons to all code blocks 7f3fb5c
• fix landing page layout broken in last commit 6f675dd

Full Changelog: https://github.com/janosh/elementari/compare/v0.1.8...v0.2.0

- TypeScript
Published by janosh over 2 years ago

https://github.com/janosh/matterviz - v0.1.8

Beta of release of 3d Structure viewer 🎉

https://janosh.github.io/elementari/structure

What's Changed

• Initial support for rendering interactive 3d structures #28
• Rename ColorBar props #27
• handle structure=undefined in Structure and StructureCard component 3aa160b
• add Structure props zoomspeed, panspeed b2484ed
• add option to show cell as surface, wireframe or not at all, add range slider for cell opacity 072d57a
• add Structure props showvectors, vectorcolors, vector_origin a3f4468
• fix ElementTile dispatch event payload name dom_event f557b07
• Structure add bindable props width, height 3921f9d
• rename Structure->PymatgenStructure 2009670

Full Changelog: https://github.com/janosh/elementari/compare/v0.1.6...v0.1.8

- TypeScript
Published by janosh almost 3 years ago

https://github.com/janosh/matterviz - v0.1.6

What's Changed

• DRY workflows and ColorBar snap tick labels to nice values #22
• Add unit tests for ColorBar.svelte #21
• add prop precision: number = 2 to ElementTile 9847290
• add ElementStats.test.ts ccc98bf
• add precision prop to ColorBar b9bc392

Full Changelog: https://github.com/janosh/elementari/compare/v0.1.4...v0.1.5

- TypeScript
Published by janosh almost 3 years ago

https://github.com/janosh/matterviz - v0.1.4

What's Changed

• Add prop colorscalerange to PeriodicTable #20
• Add tick labels to ColorBar #19
• add test 'element tiles are accessible to keyboard users' 314876a
• add prop text_color to ElementTile 79b1eb4
• fix error msg on bad color scale names c1d0f2a

v0.1.2 and v0.1.3 were faulty and have been unpublished.

Full Changelog: https://github.com/janosh/elementari/compare/v0.1.1...v0.1.4

- TypeScript
Published by janosh almost 3 years ago