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Fixed a bug in msmbuilder/Extras/parallel_assign/lib/remote.py regarding... #195

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Fixed a bug in msmbuilder/Extras/parallel_assign/lib/remote.py regarding... #195

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7 changes: 7 additions & 0 deletions Extras/parallel_assign/lib/remote.py
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Original file line number Diff line number Diff line change
Expand Up @@ -23,7 +23,14 @@ def load_gens(gens_fn, conf_fn, metric):
METRIC = metric
CONF = Trajectory.load_trajectory_file(conf_fn)
gens = Trajectory.load_trajectory_file(gens_fn)
# Make sure the atom indices are not used when processing the generators. (There has to be a less ugly way to do this...)
# Create a copy of atomindices.
atom_indices = metric.atomindices
# Then set atomindices attribute temporarily to None when computing PGENS
metric.atomindices = None
PGENS = metric.prepare_trajectory(gens)
# Restore atomindices after PGENS is created.
metric.atomindices = atom_indices
PREPARED = True


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