pittquantum / PittQuantumRepository

Flask backend for the Pitt Quantum Repository website
https://pqr.pitt.edu/
MIT License
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Add button to view dipole vector #88

Open ghutchis opened 8 years ago

ghutchis commented 8 years ago

Next to the dipole moment property, there should be a small button to toggle viewing the dipole moment vector:

glviewer.addArrow({end: new $3Dmol.Vector3(1.0, 2.0, 3.0), color: "black", wireframe: false});

The components are in pm7: dipole (the pm7 will change with the calculation method)

"dipole": [ "-0.001", "-0.001", "-0.074" ],

RitwikGupta commented 8 years ago

See 9c699e1. This is currently a work in progress as soon as @vonbearshark finishes the new JS build.

RitwikGupta commented 8 years ago

978199a6440971a6bc49b278583a12b57ac733ee adds the dipole vector on document load. We can make this a button.

ghutchis commented 8 years ago

I don't think we want this to show by default. For some molecules, this will look cluttered.

RitwikGupta commented 8 years ago

No worries, this is temporary till we add a button