def test_uses_labels(self):
outstr = mdcfragments.print_frag(0,
self.geom.top,
self.fragments[0],
return_string=True,
idx2label={
self.fragments[0][0]:
"labelfirst",
self.fragments[0][-1]: "labellast"
})
assert "@labelfirst" in outstr
assert "@labellast" in outstr
def test_returns(self):
assert isinstance(
mdcfragments.print_frag(0,
self.geom.top,
self.fragments[0],
return_string=True), str)
def test_raises(self):
with pytest.raises(Exception):
mdcfragments.print_frag(0, "self.geom.top", self.fragments[0])
def test_other_name(self):
mdcfragments.print_frag(0,
self.geom.top,
self.fragments[0],
fragment_desc="blob")
def tes_just_runs_w_sequence(self):
mdcfragments.print_frag(0, top2seq(self.geom.top, "X"),
self.fragments[0])
def test_just_runs(self):
mdcfragments.print_frag(0, self.geom.top, self.fragments[0])