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MDAnalysis / mdanalysis Public

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added single distance calculations to lib.distances#1939

Merged

orbeckst merged 13 commits intodevelopMDAnalysis/mdanalysis:developfrom

issue-1262-distancesMDAnalysis/mdanalysis:issue-1262-distancesCopy head branch name to clipboard

Jun 29, 2018

Conversation Commits13 (13)Checks Files changed

Merged

added single distance calculations to lib.distances#1939
orbeckst merged 13 commits intodevelopfrom
issue-1262-distances

Commits

Commits on Jun 29, 2018

Added single distance calculations to lib.distances
richardjgowers
committed
tests for new functions in lib.distances
richardjgowers
committed
simplified docstrings
richardjgowers
committed
added more tests for single distance calculations
richardjgowers
committed
finalised changelog
richardjgowers
committed
changed default to pbc to True in TopologyObjects
richardjgowers
committed
fixed make_whole now Bond.length() defaults to pbc=True
richardjgowers
committed
completely removed HBondAnalysis' distance methods
richardjgowers
committed
removed unused import
richardjgowers
committed
maybe fixed the docs?
richardjgowers
committed
really really fixed the docs
richardjgowers
committed
more doc fixes in lib.distances
richardjgowers
committed
use np.testing.assert_almost_equal not pytest.approx
richardjgowers
committed

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