https://github.com/superstar54/weas

WEAS is JavaScript library to visualize and manipulate the atomic structures directly in the web browser.
https://github.com/superstar54/weas

3d crystal isosurface manipulation molecule three-js visualization

Last synced: 2 months ago
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WEAS is JavaScript library to visualize and manipulate the atomic structures directly in the web browser.

• Host: GitHub
• URL: https://github.com/superstar54/weas
• Owner: superstar54
• License: mit
• Created: 2024-03-16T00:47:24.000Z (9 months ago)
• Default Branch: main
• Last Pushed: 2024-09-18T10:01:33.000Z (3 months ago)
• Last Synced: 2024-09-27T08:40:50.078Z (3 months ago)
• Topics: 3d, crystal, isosurface, manipulation, molecule, three-js, visualization
• Language: JavaScript
• Homepage: https://weas.readthedocs.io/en/latest/index.html
• Size: 4.39 MB
• Stars: 3
• Watchers: 2
• Forks: 0
• Open Issues: 4
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

        
## Web Environment For Atomic Structure (WEAS)

[![npm version](https://img.shields.io/npm/v/weas.svg?style=flat-square)](https://www.npmjs.com/package/weas)

[![Docs status](https://readthedocs.org/projects/weas/badge)](http://weas.readthedocs.io/)

[![Unit test](https://github.com/superstar54/weas/actions/workflows/ci.yml/badge.svg)](https://github.com/superstar54/weas/actions/workflows/ci.yml)

The WEAS package is a JavaScript library designed to visualize and edit atomic structures (molecule, crystal, nanoparticle) in the web environments.

Features:

- Model: space-filling, ball-stick, polyhedral.

- Supported File types: CIF, XYZ, cube.

- Edit structure: move, rotate, delete, and replace atoms.

- Support periodic boundary conditions.

- Animation (view and edit).

- Volumetric data (isosurface).

- Vector fields, e.g., magnetic moment.

Here are some demo pages:

- [Codepen Demo](https://codepen.io/superstar54/full/MWRgKaG)

- ...

### How to use

Please visit: [WEAS Documentation](https://weas.readthedocs.io/en/latest/index.html)

### How to run a demo locally

Clone the repository,

```console

npm install

npm start

```

Then go to the `demo` site.

### Test

```console

npm install

npm test

```

#### End-to-end test

Use [playwright](https://playwright.dev/docs/intro) for the e2e test.

For the first time, one needs to install the dependence.

```

npx playwright install

```

Then run

```

npm run build

npx playwright test

```

Run the test with the title

```

npx playwright test -g "Animation"

```

If the snapshots need to be updated:

```

npx playwright test --update-snapshots

```

### Contact

- Xing Wang