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Update test_commands.py
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msmbuilder/tests/test_commands.py

Lines changed: 8 additions & 8 deletions
Original file line numberDiff line numberDiff line change
@@ -82,8 +82,8 @@ def shell(str):
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def test_atomindices_1():
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fn = get_mdtraj_fn('2EQQ.pdb')
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t = md.load(fn)
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# fn = get_mdtraj_fn('2EQQ.pdb')
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# t = md.load(fn)
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with tempdir():
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shell('msmb AtomIndices -o all.txt --all -a -p %s' % fn)
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shell('msmb AtomIndices -o all-pairs.txt --all -d -p %s' % fn)
@@ -94,8 +94,8 @@ def test_atomindices_1():
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def test_atomindices_2():
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fn = get_mdtraj_fn('2EQQ.pdb')
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t = md.load(fn)
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# fn = get_mdtraj_fn('2EQQ.pdb')
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# t = md.load(fn)
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with tempdir():
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shell('msmb AtomIndices -o heavy.txt --heavy -a -p %s' % fn)
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shell('msmb AtomIndices -o heavy-pairs.txt --heavy -d -p %s' % fn)
@@ -108,8 +108,8 @@ def test_atomindices_2():
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def test_atomindices_3():
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fn = get_mdtraj_fn('2EQQ.pdb')
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t = md.load(fn)
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# fn = get_mdtraj_fn('2EQQ.pdb')
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# t = md.load(fn)
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with tempdir():
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shell('msmb AtomIndices -o alpha.txt --alpha -a -p %s' % fn)
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shell('msmb AtomIndices -o alpha-pairs.txt --alpha -d -p %s' % fn)
@@ -121,8 +121,8 @@ def test_atomindices_3():
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def test_atomindices_4():
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fn = get_mdtraj_fn('2EQQ.pdb')
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t = md.load(fn)
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# fn = get_mdtraj_fn('2EQQ.pdb')
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# t = md.load(fn)
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with tempdir():
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shell('msmb AtomIndices -o minimal.txt --minimal -a -p %s' % fn)
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shell('msmb AtomIndices -o minimal-pairs.txt --minimal -d -p %s' % fn)

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