[ENHANCEMENT] Add some a tool to measure bond length, angles, torsions in the 3D viewer.

[ChiCheng45]

Is your feature request related to a problem? Please describe.
Currently, there is no way to check the bond lengths or angles in the MDANSE 3D viewer. It would be good to add this feature since a user may want to check their trajectory or to measure some distances, and to see how it changes over time.

Describe the solution you'd like
Something like this in Mercury, for example.

[MBartkowiakSTFC]

How about a BondAngleStatistics analysis job? We could use a couple of AxisSelectionConfigurators to define two vectors in a molecule type, and AtomSelection to optionally limit it to specific molecules in the trajectory. The output would be the length of the two bonds/vectors and the angle between them, averaged over the molecules in the selection, calculated per frame. Would this solve the problem?

[ChiCheng45]

How about a BondAngleStatistics analysis job? We could use a couple of AxisSelectionConfigurators to define two vectors in a molecule type, and AtomSelection to optionally limit it to specific molecules in the trajectory. The output would be the length of the two bonds/vectors and the angle between them, averaged over the molecules in the selection, calculated per frame. Would this solve the problem?

Yeah, I think that would be good. Maybe it would be good to have both?

[MBartkowiakSTFC]

Yeah, I think that would be good. Maybe it would be good to have both?

I'm happy to implement the analysis, because we've had requests for something similar in the past. As for the visual tool, I have no objections against it. It will be more effort though, since new widgets will have to be added to the GUI to switch between selection modes.

[ChiCheng45]

Yeah, I think that would be good. Maybe it would be good to have both?

I'm happy to implement the analysis, because we've had requests for something similar in the past. As for the visual tool, I have no objections against it. It will be more effort though, since new widgets will have to be added to the GUI to switch between selection modes.

Yeah, I think the GUI update will take some effort, but it should be useful since most molecule viewers have this sort of feature. I'm happy to try to add the GUI update. I thinking maybe some measurements tab next to the atom trace one.