megane-viewer 0.1.1 → 0.2.0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/README.md +48 -8
- package/dist/megane-viewer.css +1 -0
- package/dist/widget.js +23098 -14580
- package/package.json +4 -2
package/README.md
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megane
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</h1>
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<p align="center">
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<p align="center">Spectacles for atomistic data.</p>
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<p align="center"><em>1M+ atoms at 60fps. Visual pipelines. Jupyter, browser, React, VSCode.</em></p>
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<p align="center">
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<a href="https://github.com/hodakamori/megane/actions/workflows/ci.yml"><img src="https://github.com/hodakamori/megane/actions/workflows/ci.yml/badge.svg" alt="CI" /></a>
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</p>
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<p align="center">
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<img src="docs/public/screenshots/
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<img src="docs/public/screenshots/pipeline-complex.png" alt="megane screenshot" width="640" />
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</p>
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---
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## Features
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- **1M+
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- **Jupyter, CLI, React
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- **1M+ Atoms at 60fps** — Billboard impostor rendering scales from small molecules to massive complexes in real time. InstancedMesh for small systems auto-switches to GPU-accelerated billboard impostors for large systems. Stream XTC trajectories over WebSocket.
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- **Runs Everywhere** — Jupyter widget, CLI server, React component, and VSCode extension. Rust-based PDB, GRO, XYZ, MOL, and XTC parsers shared between Python (PyO3) and browser (WASM) — parse once, run anywhere.
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- **Visual Pipeline Editor** — Build visualization workflows by wiring nodes. 8 node types (load, bond, filter, modify, labels, polyhedra, viewport) with 6 typed data channels (particle, bond, cell, label, mesh, trajectory) flowing through color-coded edges.
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- **Embed & Integrate** — Control the viewer from Plotly via ipywidgets events. Embed in MDX / Next.js docs. React to `frame_change`, `selection_change`, and `measurement` events. Use the framework-agnostic renderer from Vue, Svelte, or vanilla JS.
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### Scale
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megane renders over **1 million atoms at 60fps** in the browser. Small systems get high-quality InstancedMesh spheres and cylinders; large systems automatically switch to GPU-accelerated billboard impostors. No desktop app, no plugin — just a browser tab.
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Trajectory streaming works over WebSocket via a binary protocol. Load an XTC file and scrub through thousands of frames in real time, without reading everything into memory.
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### Anywhere
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One codebase, every environment.
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| Environment | How | Install |
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|---|---|---|
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| **Jupyter** | anywidget inline viewer | `pip install megane` |
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| **Browser** | `megane serve` local server | `pip install megane` |
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| **React** | `<MeganeViewer />` component | `npm install megane-viewer` |
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| **VSCode** | Custom editor for .pdb, .gro, .xyz | Extension |
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The secret: PDB, GRO, XYZ, MOL, and XTC parsers are written in **Rust** and compiled to both **PyO3** (Python) and **WASM** (browser). Parse once, run anywhere.
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### Visual Pipelines
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Wire nodes to build visualization workflows — no code required.
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**8 node types** across 5 categories: load data, add bonds, filter atoms by query, modify scale and opacity per-group, generate labels, render coordination polyhedra, and display in a 3D viewport.
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**6 typed data channels** — particle, bond, cell, label, mesh, trajectory — flow through color-coded edges. Only matching types can connect.
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Pipelines serialize to JSON, so you can save, share, and version-control your visualization recipes.
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### Integrate
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megane is not a walled garden. It fits into your existing workflow.
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**Plotly** — Click a point on a Plotly `FigureWidget` to jump to a trajectory frame. Use megane's `on_event("frame_change")` callback to update Plotly markers in sync.
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**MDX / Next.js** — Drop `<MeganeViewer />` or `<Viewport />` into your `.mdx` documentation. WASM parsing works out of the box with a one-line webpack config.
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**ipywidgets** — React to `frame_change`, `selection_change`, and `measurement` events. Compose megane with any widget in the Jupyter ecosystem.
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**Framework-agnostic** — `MoleculeRenderer` is a plain Three.js class. Mount it in Vue, Svelte, or a vanilla `<div>`.
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## Installation
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.react-flow{direction:ltr;--xy-edge-stroke-default: #b1b1b7;--xy-edge-stroke-width-default: 1;--xy-edge-stroke-selected-default: #555;--xy-connectionline-stroke-default: #b1b1b7;--xy-connectionline-stroke-width-default: 1;--xy-attribution-background-color-default: rgba(255, 255, 255, .5);--xy-minimap-background-color-default: #fff;--xy-minimap-mask-background-color-default: rgba(240, 240, 240, .6);--xy-minimap-mask-stroke-color-default: transparent;--xy-minimap-mask-stroke-width-default: 1;--xy-minimap-node-background-color-default: #e2e2e2;--xy-minimap-node-stroke-color-default: transparent;--xy-minimap-node-stroke-width-default: 2;--xy-background-color-default: transparent;--xy-background-pattern-dots-color-default: #91919a;--xy-background-pattern-lines-color-default: #eee;--xy-background-pattern-cross-color-default: #e2e2e2;background-color:var(--xy-background-color, var(--xy-background-color-default));--xy-node-color-default: inherit;--xy-node-border-default: 1px solid #1a192b;--xy-node-background-color-default: #fff;--xy-node-group-background-color-default: rgba(240, 240, 240, .25);--xy-node-boxshadow-hover-default: 0 1px 4px 1px rgba(0, 0, 0, .08);--xy-node-boxshadow-selected-default: 0 0 0 .5px #1a192b;--xy-node-border-radius-default: 3px;--xy-handle-background-color-default: #1a192b;--xy-handle-border-color-default: #fff;--xy-selection-background-color-default: rgba(0, 89, 220, .08);--xy-selection-border-default: 1px dotted rgba(0, 89, 220, .8);--xy-controls-button-background-color-default: #fefefe;--xy-controls-button-background-color-hover-default: #f4f4f4;--xy-controls-button-color-default: inherit;--xy-controls-button-color-hover-default: inherit;--xy-controls-button-border-color-default: #eee;--xy-controls-box-shadow-default: 0 0 2px 1px rgba(0, 0, 0, .08);--xy-edge-label-background-color-default: #ffffff;--xy-edge-label-color-default: inherit;--xy-resize-background-color-default: #3367d9}.react-flow.dark{--xy-edge-stroke-default: 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.25);--xy-node-boxshadow-hover-default: 0 1px 4px 1px rgba(255, 255, 255, .08);--xy-node-boxshadow-selected-default: 0 0 0 .5px #999;--xy-handle-background-color-default: #bebebe;--xy-handle-border-color-default: #1e1e1e;--xy-selection-background-color-default: rgba(200, 200, 220, .08);--xy-selection-border-default: 1px dotted rgba(200, 200, 220, .8);--xy-controls-button-background-color-default: #2b2b2b;--xy-controls-button-background-color-hover-default: #3e3e3e;--xy-controls-button-color-default: #f8f8f8;--xy-controls-button-color-hover-default: #fff;--xy-controls-button-border-color-default: #5b5b5b;--xy-controls-box-shadow-default: 0 0 2px 1px rgba(0, 0, 0, .08);--xy-edge-label-background-color-default: #141414;--xy-edge-label-color-default: #f8f8f8}.react-flow__background{background-color:var(--xy-background-color-props, var(--xy-background-color, var(--xy-background-color-default)));pointer-events:none;z-index:-1}.react-flow__container{position:absolute;width:100%;height:100%;top:0;left:0}.react-flow__pane{z-index:1}.react-flow__pane.draggable{cursor:grab}.react-flow__pane.dragging{cursor:grabbing}.react-flow__pane.selection{cursor:pointer}.react-flow__viewport{transform-origin:0 0;z-index:2;pointer-events:none}.react-flow__renderer{z-index:4}.react-flow__selection{z-index:6}.react-flow__nodesselection-rect:focus,.react-flow__nodesselection-rect:focus-visible{outline:none}.react-flow__edge-path{stroke:var(--xy-edge-stroke, var(--xy-edge-stroke-default));stroke-width:var(--xy-edge-stroke-width, var(--xy-edge-stroke-width-default));fill:none}.react-flow__connection-path{stroke:var(--xy-connectionline-stroke, var(--xy-connectionline-stroke-default));stroke-width:var(--xy-connectionline-stroke-width, var(--xy-connectionline-stroke-width-default));fill:none}.react-flow .react-flow__edges{position:absolute}.react-flow .react-flow__edges svg{overflow:visible;position:absolute;pointer-events:none}.react-flow__edge{pointer-events:visibleStroke}.react-flow__edge.selectable{cursor:pointer}.react-flow__edge.animated path{stroke-dasharray:5;animation:dashdraw .5s linear infinite}.react-flow__edge.animated path.react-flow__edge-interaction{stroke-dasharray:none;animation:none}.react-flow__edge.inactive{pointer-events:none}.react-flow__edge.selected,.react-flow__edge:focus,.react-flow__edge:focus-visible{outline:none}.react-flow__edge.selected .react-flow__edge-path,.react-flow__edge.selectable:focus .react-flow__edge-path,.react-flow__edge.selectable:focus-visible .react-flow__edge-path{stroke:var(--xy-edge-stroke-selected, var(--xy-edge-stroke-selected-default))}.react-flow__edge-textwrapper{pointer-events:all}.react-flow__edge .react-flow__edge-text{pointer-events:none;-webkit-user-select:none;-moz-user-select:none;user-select:none}.react-flow__arrowhead polyline{stroke:var(--xy-edge-stroke, var(--xy-edge-stroke-default))}.react-flow__arrowhead polyline.arrowclosed{fill:var(--xy-edge-stroke, var(--xy-edge-stroke-default))}.react-flow__connection{pointer-events:none}.react-flow__connection .animated{stroke-dasharray:5;animation:dashdraw .5s linear infinite}svg.react-flow__connectionline{z-index:1001;overflow:visible;position:absolute}.react-flow__nodes{pointer-events:none;transform-origin:0 0}.react-flow__node{position:absolute;-webkit-user-select:none;-moz-user-select:none;user-select:none;pointer-events:all;transform-origin:0 0;box-sizing:border-box;cursor:default}.react-flow__node.selectable{cursor:pointer}.react-flow__node.draggable{cursor:grab;pointer-events:all}.react-flow__node.draggable.dragging{cursor:grabbing}.react-flow__nodesselection{z-index:3;transform-origin:left top;pointer-events:none}.react-flow__nodesselection-rect{position:absolute;pointer-events:all;cursor:grab}.react-flow__handle{position:absolute;pointer-events:none;min-width:5px;min-height:5px;width:6px;height:6px;background-color:var(--xy-handle-background-color, var(--xy-handle-background-color-default));border:1px solid var(--xy-handle-border-color, var(--xy-handle-border-color-default));border-radius:100%}.react-flow__handle.connectingfrom{pointer-events:all}.react-flow__handle.connectionindicator{pointer-events:all;cursor:crosshair}.react-flow__handle-bottom{top:auto;left:50%;bottom:0;transform:translate(-50%,50%)}.react-flow__handle-top{top:0;left:50%;transform:translate(-50%,-50%)}.react-flow__handle-left{top:50%;left:0;transform:translate(-50%,-50%)}.react-flow__handle-right{top:50%;right:0;transform:translate(50%,-50%)}.react-flow__edgeupdater{cursor:move;pointer-events:all}.react-flow__pane.selection 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)}.react-flow__controls{display:flex;flex-direction:column;box-shadow:var(--xy-controls-box-shadow, var(--xy-controls-box-shadow-default))}.react-flow__controls.horizontal{flex-direction:row}.react-flow__controls-button{display:flex;justify-content:center;align-items:center;height:26px;width:26px;padding:4px;border:none;background:var(--xy-controls-button-background-color, var(--xy-controls-button-background-color-default));border-bottom:1px solid var( --xy-controls-button-border-color-props, var(--xy-controls-button-border-color, var(--xy-controls-button-border-color-default)) );color:var( --xy-controls-button-color-props, var(--xy-controls-button-color, var(--xy-controls-button-color-default)) );cursor:pointer;-webkit-user-select:none;-moz-user-select:none;user-select:none}.react-flow__controls-button svg{width:100%;max-width:12px;max-height:12px;fill:currentColor}.react-flow__edge.updating .react-flow__edge-path{stroke:#777}.react-flow__edge-text{font-size:10px}.react-flow__node.selectable:focus,.react-flow__node.selectable:focus-visible{outline:none}.react-flow__node-input,.react-flow__node-default,.react-flow__node-output,.react-flow__node-group{padding:10px;border-radius:var(--xy-node-border-radius, var(--xy-node-border-radius-default));width:150px;font-size:12px;color:var(--xy-node-color, var(--xy-node-color-default));text-align:center;border:var(--xy-node-border, var(--xy-node-border-default));background-color:var(--xy-node-background-color, var(--xy-node-background-color-default))}.react-flow__node-input.selectable:hover,.react-flow__node-default.selectable:hover,.react-flow__node-output.selectable:hover,.react-flow__node-group.selectable:hover{box-shadow:var(--xy-node-boxshadow-hover, var(--xy-node-boxshadow-hover-default))}.react-flow__node-input.selectable.selected,.react-flow__node-input.selectable:focus,.react-flow__node-input.selectable:focus-visible,.react-flow__node-default.selectable.selected,.react-flow__node-default.selectable:focus,.react-flow__node-default.selectable:focus-visible,.react-flow__node-output.selectable.selected,.react-flow__node-output.selectable:focus,.react-flow__node-output.selectable:focus-visible,.react-flow__node-group.selectable.selected,.react-flow__node-group.selectable:focus,.react-flow__node-group.selectable:focus-visible{box-shadow:var(--xy-node-boxshadow-selected, var(--xy-node-boxshadow-selected-default))}.react-flow__node-group{background-color:var(--xy-node-group-background-color, var(--xy-node-group-background-color-default))}.react-flow__nodesselection-rect,.react-flow__selection{background:var(--xy-selection-background-color, var(--xy-selection-background-color-default));border:var(--xy-selection-border, 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.react-flow__controls-button:last-child{border-right:none}.react-flow__resize-control{position:absolute}.react-flow__resize-control.left,.react-flow__resize-control.right{cursor:ew-resize}.react-flow__resize-control.top,.react-flow__resize-control.bottom{cursor:ns-resize}.react-flow__resize-control.top.left,.react-flow__resize-control.bottom.right{cursor:nwse-resize}.react-flow__resize-control.bottom.left,.react-flow__resize-control.top.right{cursor:nesw-resize}.react-flow__resize-control.handle{width:5px;height:5px;border:1px solid #fff;border-radius:1px;background-color:var(--xy-resize-background-color, var(--xy-resize-background-color-default));translate:-50% 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