Move angles to results.angles for dihedral classes#3266
Move angles to results.angles for dihedral classes#3266IAlibay merged 5 commits intoMDAnalysis:developfrom
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## develop #3266 +/- ##
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Coverage 93.02% 93.03%
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Files 172 172
Lines 22704 22714 +10
Branches 3193 3193
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+ Hits 21121 21131 +10
Misses 1533 1533
Partials 50 50
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orbeckst
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minor doc thing — will add it directly & then approve
| .. attribute:: results.angles | ||
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| Contains the time steps of the :math:`\phi` and :math:`\psi` angles for | ||
| each residue as an ``n_frames×n_residues×2`` :class:`numpy.ndarray` with | ||
| content ``[[[phi, psi], [residue 2], ...], [time step 2], ...]``. | ||
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There's a versionchanged that mentions it below (mainly bringing this up because I don't think I've been adding versionadded in the previous PRs), but we can start doing this if you want too (it's not exactly a lot of work).
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I know and that's (=changes) good. I find that the versionadded completes the picture. I put it in the general instructions in #3261 . We can update whenever, though.
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| .. attribute:: angles | ||
| .. attribute:: results.angles |
- versionadded - small improvements about ref=True (based on user list question)
Towards #3261
Changes made in this Pull Request:
anglestoresults.anglesfor Dihedral/Ramachandran/Janin classes.PR Checklist