Add test trajectories #45
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… same lipid type - Added files in tests/data/prestin - Updated datafiles.py
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orbeckst
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orbeckst
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You accidentally checked in a build directory: get rid of it git rm -r build
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@rjoshi44 can you please remove the build directory from your PR, see above for how. thanks! |
orbeckst
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orbeckst
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Thanks for the cleanup @rjoshi44 . Can you please move the files so that they correspond to the file paths in datafiles.py?
Check that you can do from python
import os.path
from basicrta.tests import datafiles
assert os.path.exists(datafiles.PDB_PAPE_1)
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The pdbs and trajectories should be inside the tests/data/prestin directory and not in subdirectories (see datafiles.py).
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The pdbs and trajectories should be inside the tests/data/prestin directory and not in subdirectories (see datafiles.py).
There was a problem hiding this comment.
The pdbs and trajectories should be inside the tests/data/prestin directory and not in subdirectories (see datafiles.py).
There was a problem hiding this comment.
The pdbs and trajectories should be inside the tests/data/prestin directory and not in subdirectories (see datafiles.py).
There was a problem hiding this comment.
The pdbs and trajectories should be inside the tests/data/prestin directory and not in subdirectories (see datafiles.py).
There was a problem hiding this comment.
The pdbs and trajectories should be inside the tests/data/prestin directory and not in subdirectories (see datafiles.py).
There was a problem hiding this comment.
This file is 18 MB – why is this so much bigger? Is there a way to make it smaller??
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I have removed subdirectories and put all the pdb and xtc files in tests/data/prestin.
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The file pape3_20ns.xtc was larger than the others because its output was saved every 10 ps. I reduced the size for this file.
…ta/prestin reduced the size of pape3_20ns.xtc
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@rjoshi44 It looks like you added only |
Fixes #42
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