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LocalDescriptors num_neighbors has an unclear name #196
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...maybe this is fine. I read the Python docs again and it gives an explanation of the value, but I'm still not very fond of the property name.
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Original comment by Vyas Ramasubramani (Bitbucket: vramasub, GitHub: vyasr). IIRC I rewrote both the cpp and python docstrings for this attribute to clarify precisely this point, but I didn't actually change the name. We could change the name too if we wanted to. We'd have to be careful not to clash with the existing naming of things in the Local Descriptors documentation is all. |
Original comment by Matthew Spellings (Bitbucket: mspells, GitHub: klarh). That quantity definitely shouldn't be called |
API change, punting to 2.0. |
Improved tbb error checking. Approved-by: Vyas Ramasubramani <vramasub@umich.edu>
The property
num_neighbors
inLocalDescriptors
isn't a very clear description - the value actually represents the "Last number of bond spherical harmonics computed" (as described in the C++ file), which is equal to the number of bonds in the computed neighbor list.I suggest a rename to
num_sphs
ornum_bonds
or similar. To me,num_neighbors
sounds more like the k in k-nearest-neighbors, which won't scale with the number of particles present.Thoughts, @vyasr @klarh?
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