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don't allow pylint to fail any more
Waterdynamics: removed an index bug that went 1 too high tau.
…f the first two frames are skipped.
…ults will be given.
Augment Coordinates for periodic Boundary conditions
…> calc_angles, calc_dihedral -> calc_dihedrals in analysis.hbonds and in core.topologyobjects
…nd calc_dihedral into tests for single coordinate input of calc_bonds, calc_angles, and calc_dihedrals
… lib.distances to better reflect the possibility of single coordinate input
removed obsolete functions from lib.distances
updated usage of Analysis API, start/stop/step now deprecated in __init__ and should be given in run method made PCA setup respect start frame more, if start is given then initial weights are from that frame not frame 0
* fix bug introduced in PR #2048 * allow for empty input coord arrays in lib.distances * tests for empty input coord arrays in lib.distances * fixed _bruteforce_capped() when no pairs are found; fixed _nsgrid_capped() for zero pseudobox size * return type testing for all functions in lib.distances * docs: more precise return type specifications * ensured _nsgrid_capped*() always returns pairs of dtype=np.int64 * added comments and removed unnecessary return type conversion from *capped_distance() * added out-of-box coordinate to TestOutputType tests
- fix #2092 - also added explanation why we ask for both citations - references page is again in sync with https://www.mdanalysis.org/pages/citations/ - added note/link at the top to the duecredit section
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Just bouncing this off the CI as a final check before I call this the final release |
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"wants to merge 515 commits into master from release-0.19.0" ... yikes, that's a lot. I think we have to make it easier for us to drop patch releases... |
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Yeah I’m going to look at that for the next release, I just didn’t want to
delay this release for that reason
…On Tue, Oct 9, 2018 at 1:23 PM, Oliver Beckstein ***@***.***> wrote:
"wants to merge *515 commits* into master from release-0.19.0" ... yikes,
that's a lot.
I think we have to make it easier for us to drop patch releases...
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Codecov Report
@@ Coverage Diff @@
## master #2095 +/- ##
=========================================
Coverage ? 89.41%
=========================================
Files ? 157
Lines ? 18768
Branches ? 2711
=========================================
Hits ? 16781
Misses ? 1382
Partials ? 605
Continue to review full report at Codecov.
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Fixes #1971
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