From a83d9c6fb3c07ace6a766e0be02dc998d49b40eb Mon Sep 17 00:00:00 2001 From: Bojun Liu <90980244+bojunliu0818@users.noreply.github.com> Date: Mon, 18 Apr 2022 12:00:20 -0500 Subject: [PATCH] Update test_commands.py --- msmbuilder/tests/test_commands.py | 16 ++++++++-------- 1 file changed, 8 insertions(+), 8 deletions(-) diff --git a/msmbuilder/tests/test_commands.py b/msmbuilder/tests/test_commands.py index 8e23864b..ea50df64 100644 --- a/msmbuilder/tests/test_commands.py +++ b/msmbuilder/tests/test_commands.py @@ -82,8 +82,8 @@ def shell(str): def test_atomindices_1(): - fn = get_mdtraj_fn('2EQQ.pdb') - t = md.load(fn) + # fn = get_mdtraj_fn('2EQQ.pdb') + # t = md.load(fn) with tempdir(): shell('msmb AtomIndices -o all.txt --all -a -p %s' % fn) shell('msmb AtomIndices -o all-pairs.txt --all -d -p %s' % fn) @@ -94,8 +94,8 @@ def test_atomindices_1(): def test_atomindices_2(): - fn = get_mdtraj_fn('2EQQ.pdb') - t = md.load(fn) + # fn = get_mdtraj_fn('2EQQ.pdb') + # t = md.load(fn) with tempdir(): shell('msmb AtomIndices -o heavy.txt --heavy -a -p %s' % fn) shell('msmb AtomIndices -o heavy-pairs.txt --heavy -d -p %s' % fn) @@ -108,8 +108,8 @@ def test_atomindices_2(): def test_atomindices_3(): - fn = get_mdtraj_fn('2EQQ.pdb') - t = md.load(fn) + # fn = get_mdtraj_fn('2EQQ.pdb') + # t = md.load(fn) with tempdir(): shell('msmb AtomIndices -o alpha.txt --alpha -a -p %s' % fn) shell('msmb AtomIndices -o alpha-pairs.txt --alpha -d -p %s' % fn) @@ -121,8 +121,8 @@ def test_atomindices_3(): def test_atomindices_4(): - fn = get_mdtraj_fn('2EQQ.pdb') - t = md.load(fn) + # fn = get_mdtraj_fn('2EQQ.pdb') + # t = md.load(fn) with tempdir(): shell('msmb AtomIndices -o minimal.txt --minimal -a -p %s' % fn) shell('msmb AtomIndices -o minimal-pairs.txt --minimal -d -p %s' % fn)