Get bond data from .cube file

cs481-ekh / s24-slice-n-dice

MIT License

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Get bond data from .cube file #153

Closed BraydenThompson closed 7 months ago

BraydenThompson commented 8 months ago

References #35

Be able to extract the bond data from the cube file in a format that will be applicable for rendering bonds between atoms. (Ipyvolume lines)

BraydenThompson commented 7 months ago

Figured out how the Cube class generates the adjacency list for atoms and the bond list, and calculated start and end points for future line graphing. Created PR.

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