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Ran 06 Aug 2016 10:25PM UTC

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Committed 06 Aug 2016 10:07PM UTC coverage: 86.359% (-0.02%) from 86.38%

Job # CONDA_PY=3.5 CONDA_NPY=1.11

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push

travis-ci

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web-flow

Commit Message

Merge pull request #890 from marscher/mditer_ra_use_mdtraj_read

FeatureReaderIterator/Mditer random access uses mdtraj file format read method instead of read_as_traj.

This avoids creating tons of heavy weight objects (eg. mdtraj.Topology) for single frames collected by the random access generator in iterload.

Fixed a bug in FeatureReaderIterator, where the underlying iterload instance was not reset and therefore only one file was iterated - once. This means that algorithms, which use random access iterators like mini batch kmeans __and__ use the reset functionality of this iterator, only performed one iteration on MD data.

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