henriquemiranda / mp-viewer

mp-viewer (beta!)

Component for viewing crystallographic structures for the Materials Project.

The current state of this repo is for testing and debugging, not for end users!

There is a:

• Python component, structure_vis_mp.py, that will be submitted to pymatgen.vis -- in brief, it takes a Structure object, computes bonds and polyhedra using a NearNeighbor class into a StructureGraph and then displays this

• React/JavaScript component inside src -- it's quite minimal, the only external dependancies are Three.js and orbit-controls-es6 -- React should not be necessary for the final version, it's just been useful for debugging (TODO: wrap into a require package for easy importing)

• A plot.ly Dash based UI, run python app.py to test