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jbarnoud
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I am surprised of how often sed did work. But some cases request some more attention.
package/MDAnalysis/analysis/align.py
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This one needs some further fixing.
package/MDAnalysis/analysis/align.py
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| AlignTraj: More efficient method for RMSD-fitting trajectories. |
package/MDAnalysis/analysis/align.py
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| :func:`sequence_alignment`, which does not require external |
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| :meth:`_get_bonded_hydrogens_dist` and :meth:`_get_bonded_hydrogens_list` |
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| :meth:`HydrogenBondAnalysis.generate_table` for processing | ||
| the data into a different format. |
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| * :mod:`MDAnalysis.topology.PDBParser` |
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| * :mod:`MDAnalysis.topology.ExtendedPDBParser` |
package/MDAnalysis/topology/core.py
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| :mod:`MDAnalysis.topology.tables` for some hard-coded atom | ||
| information that is used by functions such as :func:`guess_atom_type` and |
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| :func:`guess_atom_element` and | ||
| :mod:`MDAnalysis.topology.tables` |
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| :func:`guess_atom_type` and | ||
| :mod:`MDAnalysis.topology.tables` (where the data are stored) |
Yeah it's a super neat tool. But one line changes it has become my go to tool. |
kain88-de
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After checking every file that has been changed I still see some rendering issues.
| .. SeeAlso:: Table :ref:`Default atom names for hydrogen bonding analysis` | ||
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| Table :ref:`Default atom names for hydrogen bonding analysis` |
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I don't get this reference to render a link correctly.
| For trajectory formats :class:`~DCD.DCDReader`, :class:`~XTC.XTCReader`, | ||
| :class:`~TRR.TRRReader`, :class:`~XYZ.XYZReader`. For single frame formats: | ||
| :class:`~CRD.CRDReader`, and :class:`~PDB.PDBReader`, | ||
| :class:`~GRO.GROReader` |
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The classes aren't linked.
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Can it be that the tilde isn't expanded correctly?
| .. SeeAlso:: :func:`anyopen` | ||
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I don't see this docstring rendered at all in the docs.
| .. SeeAlso:: :class:`MDAnalysis.coordinates.PDB.ExtendedPDBReader` | ||
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| :class:`MDAnalysis.coordinates.PDB.ExtendedPDBReader` |
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also doesn't link correctly
| .. SeeAlso:: Table :ref:`Default atom names for hydrogen bonding analysis` | ||
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| Table :ref:`Default heavy atom names for CHARMM27 force field.` |
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I get everything to render with links except for this reference. Anyone a idea?
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OK I think I fixed all issues. This is good for review from my side. |
| Context manager to open a compressed (bzip2, gzip) or plain file | ||
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| .. autofunction:: openany |
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Does the context manager decorator preserve function docs nowadays (or is sphinx smarter)? I remember I wrote it explicitly because the decorator had mangled the docs.
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Context manager here is never used as a decorator. It can't mangle any docs.
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When I look at the code I see
@contextmanager
def openany():
(Sorry difficult to link to code on mobile gh interface.)
If the docs look fine then it's not a problem, of course.
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@jbarnoud any more changes you would like? |
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I am at a conference. Sorry, I do not have the time to look. What I noticed seems fixed, I approve the PR as I have no reason to block it anymore, but I did not review it. |
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One of the travis runs just times out after passing the tests: https://travis-ci.org/MDAnalysis/mdanalysis/jobs/225668887 I am now restarting a second time but if anyone else has any insights... |
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This happens a lot recently. Just restart the build. |
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I did and seemed to work on the third attempt. |
Changes made in this Pull Request:
I used the following command to replace all occurrences.
Following a comment of @jbarnoud
#1240 (comment)
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