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)