tinbryn / molecule-of-the-month Goto Github PK

The file conversion from chemical files to 3D models should happen on the app, since this is a browser based app that needs to happen in JavaScript or something that compiles to js or wasm such as TypeScript to js.

This should generate a notification in slack when this is created

https://github.com/TinBryn/Molecule-of-the-Month/blob/master/convertor/moleculegltfconvertor.js

Need to add a textual description.
For now just add it in the getBallAndStick function - using the getColourMap function or similar

See https://threejs.org/docs/index.html#manual/en/introduction/Creating-a-scene
https://threejs.org/docs/#manual/en/introduction/Useful-links

• Install https://jestjs.io/
• Add test directory 'test' to project structure (you may need to update package.json
• Create a unit test and run to ensure jest has been installed successfully
• Update project readme with description on how to run tests

• Test register creates a new user in database
• Test only logged in users can view the upload functionality
• Test upload function stores the file
• Maybe need some kind of validation on file uploads

From the output of function parsePDBFile https://github.com/TinBryn/Molecule-of-the-Month/blob/conversion/convertor/convertor.js. This needs to be converted into a GLTF file to be rendered by AR.JS

• Could possibly use this library https://threejs.org/
• Or we may have to manually generate the JSON https://github.com/KhronosGroup/glTF/blob/main/specification/2.0/Specification.adoc

• Navigation
• usage instructions
• supplemental information

https://github.com/TinBryn/Molecule-of-the-Month/blob/master/convertor/moleculegltfconvertor.js

Need to add a textual description.
For now just add it in the getBallAndStick function

See https://threejs.org/docs/index.html#manual/en/introduction/Creating-a-scene
https://threejs.org/docs/#manual/en/introduction/Useful-links

Each element needs a radius and color value, an example format would be

{
    "H": {
        "radius": "53",
        "color": "FFFFFF"
    },
    "N": {
        "radius": "56",
        "color": "3050F8"
    }
}

does this look good @Cosmo801 ?

https://github.com/TinBryn/Molecule-of-the-Month/blob/master/convertor/moleculegltfconvertor.js

Need to add bonds between atoms (probably with some sort of sphere object)
For now just add it in the getBallAndStick function

See https://threejs.org/docs/index.html#manual/en/introduction/Creating-a-scene
https://threejs.org/docs/#manual/en/introduction/Useful-links

• Rename the meeting files so that they share a format
• e.g. Meetings: Meeting 9/28 Minutes
• e.g. Auditor: Auditor Meeting 9/28 Minutes
• e.g. Mentor: Mentor Meeting 9/28 Minutes
• If possible, try and find any meetings that may be missing (use teams or slack history?)

The model origin is very offset and far too large

the folder node_modules should not be included in the repository as they are quite large and could create merge conflicts. Please revert this commit and recommit the changes without the node modules folder.