Update Orientations api #303
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Hi @SCiarella could you have a look at this? Particularly:
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SCiarella
requested changes
Apr 17, 2024
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Looks awesome!
I added a few comments. In particular, we could think about making cartesian_to_spherical return an Orientation and behave like the other transformations.
- msad -> autocorrelation change
Looks perfect
- if it makes sense to derive nr_central_atoms from the trajectory directly
Yes, it makes total sense
Co-authored-by: SCiarella <58949181+SCiarella@users.noreply.github.com>
Co-authored-by: SCiarella <58949181+SCiarella@users.noreply.github.com>
Co-authored-by: SCiarella <58949181+SCiarella@users.noreply.github.com>
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This PR adds some convenience methods to Orientations to make the api more accessible.
It also renames
msad->autocorrelation.Closes #296
Closes #297
Todo