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fix up load trajectory so it works
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paths_cli/commands/load_trajectory.py

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -13,14 +13,14 @@
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@click.option(
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'--top',
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help=(
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"Topology information (typically PDB). Only for required "
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"Topology file (typically PDB). Only for required "
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"formats."
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),
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default=None,
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)
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@APPEND_FILE.clicked(required=True)
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@MULTI_TAG.clicked()
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def load_trajectory(traj_file, top, append, tag):
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def load_trajectory(traj_file, top, append_file, tag):
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"""Load a trajectory from a file.
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This uses MDTraj under the hood, and can load any file format that
@@ -31,7 +31,7 @@ def load_trajectory(traj_file, top, append, tag):
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import mdtraj as md
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from openpathsampling.engines.openmm.tools import ops_load_trajectory
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traj = ops_load_trajectory(traj_file, top=top)
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storage = append.get()
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storage = APPEND_FILE.get(append_file)
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storage.save(traj)
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for tag_name in tag:
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storage.tags[tag_name] = traj

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