def test_read_w_top(self):
from_tuple, ss_array = residue_and_atom.get_SS(test_filenames.traj_xtc, top=test_filenames.top_pdb)
assert from_tuple is False
ss_ref = _md.compute_dssp(_md.load(test_filenames.traj_xtc, top=test_filenames.top_pdb))[0]
_np.testing.assert_array_equal(ss_array, ss_ref)
def test_traj(self):
traj=_md.load(test_filenames.actor_pdb)
from_tuple, ss_array = residue_and_atom.get_SS(traj)
assert from_tuple is False
ss_ref = _md.compute_dssp(traj)[0]
def test_list(self):
from_tuple, ss_array = residue_and_atom.get_SS([1,2,3,4])
assert from_tuple is False
self.assertListEqual(ss_array, [1,2,3,4])
def test_tuple(self):
from_tuple, ss_array = residue_and_atom.get_SS(tuple((1,1,1)))
assert from_tuple == (1,1,1)
assert ss_array is None
def test_True(self):
from_tuple, ss_array = residue_and_atom.get_SS(True)
assert from_tuple == (0,0,0)
assert ss_array is None
def test_False(self):
from_tuple, ss_array = residue_and_atom.get_SS(False)
assert from_tuple is False
assert ss_array is None