def test_rangeexpand_w_ints_fails(self):
expanded_range = residue_and_atom.rangeexpand_residues2residxs([0, 10, 20],
self.fragments,
self.top,
interpret_as_res_idxs=True
)
np.testing.assert_array_equal(expanded_range,[0,10,20])
def test_rangeexpand_resSeq_one_number_w_comma(self):
expanded_range = residue_and_atom.rangeexpand_residues2residxs("381,",
self.fragments,
self.top,
sort=True
)
np.testing.assert_array_equal(expanded_range,[6])
def test_rangeexpand_resSeq_sort(self):
expanded_range = residue_and_atom.rangeexpand_residues2residxs("381,26",
self.fragments,
self.top,
sort=True
)
np.testing.assert_array_equal(expanded_range,[3,6])
def test_rangeexpand_w_ints_fails_as_resSeq(self):
with pytest.raises(ValueError):
residue_and_atom.rangeexpand_residues2residxs([0, 10, 20],
self.fragments,
self.top,
)
def test_rangeexpand_raises_on_empty_wildcard(self):
with pytest.raises(ValueError):
expanded_range = residue_and_atom.rangeexpand_residues2residxs("ARG*",
self.fragments,
self.top,
)
def test_rangeexpand_resSeq_w_jumps(self):
expanded_range = residue_and_atom.rangeexpand_residues2residxs("26-381",
self.fragments,
self.top,
)
np.testing.assert_array_equal(expanded_range,[3,4,5,6])
def test_rangeexpand_res_idxs(self):
expanded_range = residue_and_atom.rangeexpand_residues2residxs("2-4,6",
self.fragments,
self.top,
interpret_as_res_idxs=True)
np.testing.assert_array_equal(expanded_range,[2,3,4,6])
def test_wildcards(self):
expanded_range = residue_and_atom.rangeexpand_residues2residxs("GLU*",
self.fragments,
self.top)
np.testing.assert_array_equal(expanded_range, [0,4])