def test_show_schrodinger():
# Show a schrodinger.structure.Structure
s = MagicMock()
s.write = _write
v0 = nglview.show_schrodinger(s)
# Show a trajectory with a Structure as topology
class MockAtom:
pdbname = 'C'
atomic_number = 6
pdbres = 'GLU'
resnum = 1
chain = 'A'
s = MagicMock()
s.fsys_ct.getXYZ.return_value = np.zeros((3, 3))
s.fsys_ct.atom = [MockAtom()] * 3
traj = MagicMock()
traj.__len__.return_value = 3
v1 = nglview.show_schrodinger(s, traj)
assert v1.max_frame == 2
v1.frame = 2 # trigger `get_coordinates`
def test_show_schrodinger():
s = MagicMock()
s.write = _write
nglview.show_schrodinger(s)